#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw1 n LEU 22 N 0.00 5.19 -0.28 2.46 4.77 -1.26 -4.84 117.00 123.04 2bw1 n LEU 22 Ca 0.00 -3.87 -0.02 0.00 -0.03 0.00 0.00 56.01 52.09 2bw1 n LEU 22 Cb 0.00 -0.70 0.11 0.00 -2.33 0.00 0.00 43.42 40.50 2bw1 n LEU 22 CO 0.00 1.30 1.16 0.00 -1.33 0.00 0.00 177.39 178.53 2bw1 h ALA 23 N 1.18 1.03 0.02 -1.18 0.00 -1.99 -1.61 119.26 116.72 2bw1 h ALA 23 Ca 0.38 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 55.03 2bw1 h ALA 23 Cb 1.88 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 2bw1 h ALA 23 CO 0.71 0.25 -1.23 -0.44 0.00 0.00 0.00 179.25 178.54 2bw1 h ASP 24 N 0.91 0.07 -0.20 0.00 3.32 -1.97 -0.65 116.42 117.91 2bw1 h ASP 24 Ca 0.32 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.30 2bw1 h ASP 24 Cb 0.08 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2bw1 h ASP 24 CO -0.14 1.07 0.11 0.28 -1.72 0.00 0.00 179.24 178.84 2bw1 h SER 25 N 0.01 0.17 -0.49 6.45 0.02 -1.81 0.30 113.55 118.19 2bw1 h SER 25 Ca -0.10 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2bw1 h SER 25 Cb 1.86 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 64.34 2bw1 h SER 25 CO 0.13 0.13 0.29 0.11 -1.14 0.00 0.00 176.83 176.34 2bw1 h LYS 26 N 0.23 0.56 -0.78 3.45 1.57 -1.26 -0.46 116.57 119.87 2bw1 h LYS 26 Ca 0.08 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2bw1 h LYS 26 Cb 0.01 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 2bw1 h LYS 26 CO -0.05 0.37 0.42 0.00 -0.57 0.00 0.00 179.45 179.62 2bw1 h ALA 27 N 1.23 1.28 -0.10 3.86 0.00 -0.83 -1.18 119.26 123.51 2bw1 h ALA 27 Ca 0.20 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 2bw1 h ALA 27 Cb 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2bw1 h ALA 27 CO -0.10 0.59 -0.75 -0.24 0.00 0.00 0.00 179.25 178.75 2bw1 h VAL 28 N 1.09 1.35 -0.68 0.00 3.04 -0.57 -0.62 116.25 119.85 2bw1 h VAL 28 Ca 0.27 -2.09 0.04 0.00 -1.01 0.00 0.00 66.70 63.91 2bw1 h VAL 28 Cb 0.03 2.08 -0.05 0.00 -2.01 0.00 0.00 31.29 31.34 2bw1 h VAL 28 CO -0.04 0.64 0.41 -0.07 -1.01 0.00 0.00 177.57 177.50 2bw1 h LEU 29 N 0.36 0.65 -0.31 3.16 3.38 -0.94 -0.70 115.31 120.91 2bw1 h LEU 29 Ca -0.04 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2bw1 h LEU 29 Cb 1.35 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2bw1 h LEU 29 CO 0.14 0.44 -0.60 -1.13 0.09 0.00 0.00 178.44 177.37 2bw1 h ASN 30 N 0.78 0.91 -0.71 -0.43 -1.24 -1.09 -0.00 115.58 113.80 2bw1 h ASN 30 Ca 0.29 -0.51 0.12 0.00 0.71 0.00 0.00 56.30 56.90 2bw1 h ASN 30 Cb 0.09 -0.26 -0.08 0.00 0.73 0.00 0.00 38.32 38.79 2bw1 h ASN 30 CO -0.14 1.30 0.29 -0.61 -1.29 0.00 0.00 177.43 176.99 2bw1 h GLN 31 N 0.60 0.46 -0.56 6.67 5.75 -0.94 -1.69 115.11 125.40 2bw1 h GLN 31 Ca -0.00 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 2bw1 h GLN 31 Cb 1.21 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 2bw1 h GLN 31 CO 0.13 0.30 -0.01 0.00 -2.65 0.00 0.00 178.83 176.61 2bw1 h ALA 32 N 1.48 0.93 -0.22 3.38 0.00 -0.49 0.75 119.26 125.09 2bw1 h ALA 32 Ca 0.37 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2bw1 h ALA 32 Cb 0.50 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2bw1 h ALA 32 CO -0.34 0.64 -0.16 0.28 0.00 0.00 0.00 179.25 179.67 2bw1 h VAL 33 N 0.89 0.56 0.12 0.00 2.07 -0.26 0.26 116.25 119.89 2bw1 h VAL 33 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 2bw1 h VAL 33 Cb 0.53 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2bw1 h VAL 33 CO 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.56 2bw1 h ALA 34 N 0.98 -0.16 -0.51 1.67 0.00 -0.78 -2.26 119.26 118.20 2bw1 h ALA 34 Ca 0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2bw1 h ALA 34 Cb 0.34 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2bw1 h ALA 34 CO -0.31 -0.57 -0.08 -0.44 0.00 0.00 0.00 179.25 177.85 2bw1 h ASP 35 N -0.21 0.91 -0.05 0.00 3.32 -0.59 -1.97 116.42 117.83 2bw1 h ASP 35 Ca -0.02 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.66 2bw1 h ASP 35 Cb 0.17 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2bw1 h ASP 35 CO 0.03 1.02 -0.24 -0.07 -1.72 0.00 0.00 179.24 178.25 2bw1 h LEU 36 N 0.83 0.46 -0.47 1.55 3.38 -0.48 0.62 115.31 121.20 2bw1 h LEU 36 Ca 0.14 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2bw1 h LEU 36 Cb 0.60 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2bw1 h LEU 36 CO 0.04 0.70 0.09 0.28 0.09 0.00 0.00 178.44 179.64 2bw1 h SER 37 N 0.41 0.74 -0.35 -0.43 0.02 -0.88 -0.16 113.55 112.90 2bw1 h SER 37 Ca 0.06 -0.25 -0.16 0.00 -0.84 0.00 0.00 61.79 60.60 2bw1 h SER 37 Cb 0.64 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2bw1 h SER 37 CO 0.05 0.81 -0.42 0.58 -1.14 0.00 0.00 176.83 176.71 2bw1 h VAL 38 N 0.65 1.27 -0.88 2.27 2.07 -1.20 -2.60 116.25 117.83 2bw1 h VAL 38 Ca 0.14 -1.59 0.07 0.00 0.82 0.00 0.00 66.70 66.15 2bw1 h VAL 38 Cb 0.38 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 2bw1 h VAL 38 CO 0.01 0.53 0.54 0.00 0.02 0.00 0.00 177.57 178.67 2bw1 h ALA 39 N 0.74 1.23 -0.61 1.67 0.00 -0.72 -0.53 119.26 121.04 2bw1 h ALA 39 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2bw1 h ALA 39 Cb 1.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2bw1 h ALA 39 CO 0.10 0.25 0.39 1.25 0.00 0.00 0.00 179.25 181.24 2bw1 h HIS 40 N 0.96 0.78 -0.53 0.00 6.17 -0.90 -0.86 115.15 120.77 2bw1 h HIS 40 Ca 0.40 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.49 2bw1 h HIS 40 Cb 0.24 -0.26 -0.03 0.00 2.52 0.00 0.00 27.41 29.88 2bw1 h HIS 40 CO -0.03 0.51 0.34 1.03 0.71 0.00 0.00 177.93 180.49 2bw1 h SER 41 N 0.83 0.62 -0.48 3.26 0.87 -0.98 -0.87 113.55 116.79 2bw1 h SER 41 Ca 0.22 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2bw1 h SER 41 Cb -0.07 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 2bw1 h SER 41 CO -0.05 0.46 0.18 0.40 -0.53 0.00 0.00 176.83 177.29 2bw1 h ILE 42 N 0.72 1.22 -0.57 2.23 2.04 -0.82 -0.83 117.51 121.49 2bw1 h ILE 42 Ca 0.19 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 2bw1 h ILE 42 Cb -0.06 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2bw1 h ILE 42 CO -0.04 0.26 0.22 -0.07 0.00 0.00 0.00 178.15 178.52 2bw1 h LEU 43 N 0.64 0.75 -0.37 1.44 3.38 -0.97 -0.83 115.31 119.35 2bw1 h LEU 43 Ca 0.16 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2bw1 h LEU 43 Cb 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2bw1 h LEU 43 CO -0.01 0.68 -0.07 -0.74 0.09 0.00 0.00 178.44 178.39 2bw1 h HIS 44 N 0.82 0.78 -0.27 1.13 2.76 -0.85 -0.50 115.15 119.02 2bw1 h HIS 44 Ca 0.19 -0.16 0.06 0.00 -2.20 0.00 0.00 60.37 58.26 2bw1 h HIS 44 Cb 0.17 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.88 2bw1 h HIS 44 CO 0.01 0.84 -0.12 0.37 -1.30 0.00 0.00 177.93 177.73 2bw1 h GLN 45 N 0.49 -0.08 -0.50 5.26 4.15 -0.65 -0.88 115.11 122.92 2bw1 h GLN 45 Ca 0.09 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.55 2bw1 h GLN 45 Cb 0.57 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 2bw1 h GLN 45 CO 0.03 -0.05 0.28 0.28 -1.93 0.00 0.00 178.83 177.44 2bw1 h VAL 46 N -0.08 1.01 -0.35 2.39 2.07 -0.96 -0.02 116.25 120.31 2bw1 h VAL 46 Ca 0.14 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2bw1 h VAL 46 Cb 0.29 0.42 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 2bw1 h VAL 46 CO -0.33 0.10 -0.17 -0.74 0.02 0.00 0.00 177.57 176.45 2bw1 h HIS 47 N 0.55 -0.42 -0.05 1.57 -0.00 -0.78 -1.96 115.15 114.06 2bw1 h HIS 47 Ca 0.21 0.04 -0.10 0.00 -0.00 0.00 0.00 60.37 60.51 2bw1 h HIS 47 Cb 0.07 0.24 0.01 0.00 -0.00 0.00 0.00 27.41 27.72 2bw1 h HIS 47 CO -0.08 -0.25 -0.38 -1.49 -0.00 0.00 0.00 177.93 175.73 2bw1 h TRP 48 N -0.11 0.47 -0.01 5.26 6.55 -0.67 -3.32 115.95 124.11 2bw1 h TRP 48 Ca 0.18 -0.22 0.00 0.00 0.95 0.00 0.00 58.89 59.79 2bw1 h TRP 48 Cb 0.38 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.62 2bw1 h TRP 48 CO -0.39 0.99 -0.02 0.66 -1.05 0.00 0.00 178.44 178.63 2bw1 n TYR 49 N -4.38 0.00 -1.71 0.49 4.02 -0.07 -4.93 117.16 110.58 2bw1 n TYR 49 Ca -0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.37 2bw1 n TYR 49 Cb 0.54 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 2bw1 n TYR 49 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 2bw1 n MET 50 N -0.11 2.48 -3.78 -0.72 1.56 -0.74 -4.50 117.12 111.30 2bw1 n MET 50 Ca 0.19 0.88 -0.13 0.00 -0.27 0.00 0.00 57.70 58.38 2bw1 n MET 50 Cb 0.31 -2.64 -0.11 0.00 2.15 0.00 0.00 33.22 32.93 2bw1 n MET 50 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2bw1 s ARG 51 N -0.01 0.41 0.00 2.12 0.52 -1.26 -5.04 118.95 115.69 2bw1 s ARG 51 Ca 0.69 0.18 0.00 0.00 -0.52 0.00 0.00 55.73 56.08 2bw1 s ARG 51 Cb -0.56 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.10 2bw1 s ARG 51 CO 0.45 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 176.10 2bw1 n GLY 52 N 2.43 2.38 3.73 -3.53 0.00 -1.26 -3.41 105.19 105.52 2bw1 n GLY 52 Ca -0.16 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 2bw1 n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bw1 s ARG 53 N -1.80 4.20 0.00 1.61 1.81 -1.26 -1.42 118.95 122.10 2bw1 s ARG 53 Ca 0.00 2.42 0.00 0.00 -1.72 0.00 0.00 55.73 56.43 2bw1 s ARG 53 Cb 0.00 -3.11 0.00 0.00 -0.45 0.00 0.00 34.95 31.39 2bw1 s ARG 53 CO 0.00 -0.58 0.00 0.41 -0.68 0.00 0.00 175.30 174.45 2bw1 n GLY 54 N 3.12 0.37 0.29 -3.53 0.00 -1.26 -4.93 105.19 99.25 2bw1 n GLY 54 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 2bw1 n GLY 54 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2bw1 h PHE 55 N 0.00 -0.16 0.00 1.61 3.57 -1.60 -0.79 116.94 119.58 2bw1 h PHE 55 Ca 0.00 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2bw1 h PHE 55 Cb 0.00 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 2bw1 h PHE 55 CO 0.00 -0.30 -0.13 1.98 -2.23 0.00 0.00 178.31 177.63 2bw1 h MET 56 N 0.06 0.00 0.02 1.11 4.05 -1.94 0.16 114.93 118.39 2bw1 h MET 56 Ca 0.43 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.68 2bw1 h MET 56 Cb 0.75 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 2bw1 h MET 56 CO -0.75 0.13 -0.93 0.82 0.23 0.00 0.00 176.91 176.41 2bw1 h ILE 57 N 0.00 1.18 -0.00 1.77 1.08 -1.85 -3.41 117.51 116.27 2bw1 h ILE 57 Ca -0.00 -2.26 -0.18 0.00 -0.39 0.00 0.00 64.86 62.03 2bw1 h ILE 57 Cb 0.43 2.62 -0.02 0.00 -3.07 0.00 0.00 36.82 36.78 2bw1 h ILE 57 CO 0.02 0.45 -0.82 -0.50 -0.69 0.00 0.00 178.15 176.61 2bw1 h TRP 58 N -0.89 0.15 0.58 1.37 4.06 -0.89 -2.67 115.95 117.66 2bw1 h TRP 58 Ca -0.25 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 60.60 2bw1 h TRP 58 Cb 1.29 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 29.43 2bw1 h TRP 58 CO 0.15 0.87 -0.33 1.25 -3.56 0.00 0.00 178.44 176.83 2bw1 h HIS 59 N 0.06 -0.86 -0.01 0.49 2.76 -0.90 -1.77 115.15 114.91 2bw1 h HIS 59 Ca -0.02 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.07 2bw1 h HIS 59 Cb 1.43 0.30 -0.01 0.00 1.55 0.00 0.00 27.41 30.68 2bw1 h HIS 59 CO 0.01 -0.51 -0.29 -1.00 -1.30 0.00 0.00 177.93 174.84 2bw1 h PRO 60 N -0.85 0.02 -0.85 5.26 0.13 -1.78 -2.50 132.00 131.43 2bw1 h PRO 60 Ca -0.07 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.12 2bw1 h PRO 60 Cb 0.68 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.75 2bw1 h PRO 60 CO 0.09 0.32 0.56 -0.22 -0.23 0.00 0.00 178.00 178.52 2bw1 h LYS 61 N 0.02 0.90 -0.49 0.86 1.63 -1.09 -1.81 116.57 116.59 2bw1 h LYS 61 Ca 0.00 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.75 2bw1 h LYS 61 Cb 0.53 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 2bw1 h LYS 61 CO 0.04 0.60 0.33 0.52 -3.45 0.00 0.00 179.45 177.48 2bw1 h MET 62 N 0.93 0.64 -0.53 1.90 2.86 -0.85 -0.98 114.93 118.90 2bw1 h MET 62 Ca 0.37 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.90 2bw1 h MET 62 Cb 0.25 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2bw1 h MET 62 CO -0.14 0.43 0.02 0.22 1.06 0.00 0.00 176.91 178.50 2bw1 h ASP 63 N 0.66 0.85 -0.41 1.22 3.58 -1.39 0.26 116.42 121.20 2bw1 h ASP 63 Ca 0.18 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2bw1 h ASP 63 Cb -0.07 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 2bw1 h ASP 63 CO -0.04 0.90 0.23 -0.33 -2.88 0.00 0.00 179.24 177.12 2bw1 h GLU 64 N 0.83 0.58 -0.65 0.28 5.08 -1.03 -1.35 114.58 118.32 2bw1 h GLU 64 Ca 0.16 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2bw1 h GLU 64 Cb 0.46 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2bw1 h GLU 64 CO 0.02 0.47 0.25 1.88 -1.00 0.00 0.00 179.01 180.62 2bw1 h TYR 65 N 0.54 1.00 -0.64 4.33 0.99 -0.89 -1.82 116.97 120.46 2bw1 h TYR 65 Ca 0.15 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 2bw1 h TYR 65 Cb 0.06 -0.30 -0.03 0.00 1.00 0.00 0.00 36.73 37.46 2bw1 h TYR 65 CO -0.02 0.79 0.38 0.52 -0.00 0.00 0.00 178.16 179.82 2bw1 h MET 66 N 0.91 0.88 -0.73 4.88 2.86 -0.34 0.21 114.93 123.60 2bw1 h MET 66 Ca 0.21 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2bw1 h MET 66 Cb 0.23 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 2bw1 h MET 66 CO -0.02 0.64 0.47 1.49 1.06 0.00 0.00 176.91 180.55 2bw1 h GLU 67 N 0.87 0.98 -0.27 1.72 4.81 -1.07 0.05 114.58 121.67 2bw1 h GLU 67 Ca 0.23 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2bw1 h GLU 67 Cb -0.00 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2bw1 h GLU 67 CO -0.04 0.67 0.00 1.49 -0.73 0.00 0.00 179.01 180.40 2bw1 h GLU 68 N 1.00 0.47 -0.54 1.92 4.81 -0.91 -1.47 114.58 119.86 2bw1 h GLU 68 Ca 0.27 -0.15 0.08 0.00 -0.13 0.00 0.00 59.36 59.43 2bw1 h GLU 68 Cb -0.08 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.19 2bw1 h GLU 68 CO -0.05 0.63 0.17 0.82 -0.73 0.00 0.00 179.01 179.85 2bw1 h ILE 69 N 0.26 0.77 -0.40 2.32 5.03 -0.83 -1.88 117.51 122.77 2bw1 h ILE 69 Ca 0.08 -0.11 -0.04 0.00 -0.12 0.00 0.00 64.86 64.66 2bw1 h ILE 69 Cb 0.42 0.40 -0.02 0.00 -3.03 0.00 0.00 36.82 34.59 2bw1 h ILE 69 CO 0.01 0.06 0.08 0.44 -0.68 0.00 0.00 178.15 178.06 2bw1 h ASP 70 N 0.33 0.56 -0.33 1.72 3.45 -0.85 -0.74 116.42 120.56 2bw1 h ASP 70 Ca 0.27 -0.09 0.01 0.00 0.43 0.00 0.00 57.03 57.65 2bw1 h ASP 70 Cb 0.33 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 2bw1 h ASP 70 CO -0.30 0.57 0.20 1.23 -1.57 0.00 0.00 179.24 179.37 2bw1 h GLY 71 N 0.83 0.46 1.17 2.75 0.00 -0.52 -0.42 103.07 107.33 2bw1 h GLY 71 Ca 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2bw1 h GLY 71 CO -0.00 0.14 0.31 -0.97 0.00 0.00 0.00 176.54 176.02 2bw1 h TYR 72 N 0.41 1.08 -0.67 5.60 0.05 -0.79 0.38 116.97 123.02 2bw1 h TYR 72 Ca 0.13 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 2bw1 h TYR 72 Cb -0.01 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.37 2bw1 h TYR 72 CO -0.07 0.81 0.20 1.25 -1.05 0.00 0.00 178.16 179.29 2bw1 h LEU 73 N 1.05 0.96 -0.17 3.88 5.85 -0.72 0.22 115.31 126.38 2bw1 h LEU 73 Ca 0.25 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2bw1 h LEU 73 Cb 0.17 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2bw1 h LEU 73 CO -0.02 0.91 -0.02 0.44 -0.34 0.00 0.00 178.44 179.40 2bw1 h ASP 74 N 0.99 -0.12 -0.69 1.25 3.32 -0.46 -0.45 116.42 120.26 2bw1 h ASP 74 Ca 0.22 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 2bw1 h ASP 74 Cb 0.30 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2bw1 h ASP 74 CO -0.01 -0.04 0.25 -0.33 -1.72 0.00 0.00 179.24 177.40 2bw1 h GLU 75 N 0.03 1.06 0.13 3.56 4.39 -0.24 -2.47 114.58 121.04 2bw1 h GLU 75 Ca 0.08 -0.21 -0.34 0.00 0.34 0.00 0.00 59.36 59.23 2bw1 h GLU 75 Cb 0.11 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2bw1 h GLU 75 CO -0.16 0.90 -1.80 0.52 -1.16 0.00 0.00 179.01 177.31 2bw1 h MET 76 N 1.00 0.27 -0.01 2.33 2.86 -0.90 -2.51 114.93 117.98 2bw1 h MET 76 Ca 0.23 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2bw1 h MET 76 Cb 0.25 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2bw1 h MET 76 CO -0.01 1.15 0.00 0.66 1.06 0.00 0.00 176.91 179.77 2bw1 h SER 77 N 0.07 0.01 -0.55 1.22 4.64 -1.17 -0.99 113.55 116.78 2bw1 h SER 77 Ca -0.35 -0.10 0.07 0.00 -0.47 0.00 0.00 61.79 60.94 2bw1 h SER 77 Cb 2.05 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 64.08 2bw1 h SER 77 CO 0.13 0.11 0.22 -0.33 -0.87 0.00 0.00 176.83 176.10 2bw1 h GLU 78 N -0.09 0.41 -0.64 4.77 5.08 -1.53 -1.67 114.58 120.91 2bw1 h GLU 78 Ca 0.00 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2bw1 h GLU 78 Cb 0.10 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2bw1 h GLU 78 CO -0.00 0.27 0.24 -0.09 -1.00 0.00 0.00 179.01 178.43 2bw1 h ARG 79 N 0.42 0.97 -0.30 2.33 9.65 -1.24 0.55 114.38 126.75 2bw1 h ARG 79 Ca 0.27 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2bw1 h ARG 79 Cb 0.28 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 2bw1 h ARG 79 CO -0.25 0.82 0.19 1.25 2.80 0.00 0.00 179.97 184.78 2bw1 h LEU 80 N 0.90 0.36 -0.41 3.80 5.85 -0.81 -1.03 115.31 123.97 2bw1 h LEU 80 Ca 0.21 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2bw1 h LEU 80 Cb 0.23 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2bw1 h LEU 80 CO -0.01 0.28 0.23 0.40 -0.34 0.00 0.00 178.44 179.00 2bw1 h ILE 81 N 0.40 1.03 -0.20 4.05 2.04 -0.94 0.21 117.51 124.10 2bw1 h ILE 81 Ca 0.11 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2bw1 h ILE 81 Cb -0.01 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2bw1 h ILE 81 CO -0.02 0.09 0.13 0.74 0.00 0.00 0.00 178.15 179.09 2bw1 h THR 82 N 0.47 1.01 -0.02 -0.27 2.02 -0.39 -1.02 112.91 114.72 2bw1 h THR 82 Ca 0.17 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2bw1 h THR 82 Cb 0.03 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2bw1 h THR 82 CO -0.09 0.04 0.00 0.18 0.37 0.00 0.00 175.52 176.02 2bw1 n LEU 83 N -4.51 0.23 0.00 2.58 4.77 -0.44 -4.88 117.00 114.76 2bw1 n LEU 83 Ca 0.00 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2bw1 n LEU 83 Cb 0.13 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2bw1 n LEU 83 CO 0.35 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2bw1 n GLY 84 N 0.88 0.76 3.86 -0.72 0.00 -0.39 -5.04 105.19 104.54 2bw1 n GLY 84 Ca 0.16 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2bw1 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bw1 n GLY 85 N -2.46 0.93 2.61 -0.02 0.00 0.03 -5.01 105.19 101.27 2bw1 n GLY 85 Ca 0.00 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 2bw1 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw1 s ALA 86 N -3.07 0.84 0.34 4.61 0.00 -1.26 -4.34 121.76 118.88 2bw1 s ALA 86 Ca 0.65 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.24 2bw1 s ALA 86 Cb -0.04 -1.38 -0.10 0.00 0.00 0.00 0.00 23.12 21.60 2bw1 s ALA 86 CO 0.43 -1.55 1.25 -1.25 0.00 0.00 0.00 175.76 174.64 2bw1 s PRO 87 N 1.97 4.30 0.28 0.00 0.04 -1.26 -4.97 135.00 135.36 2bw1 s PRO 87 Ca 0.07 2.08 -0.27 0.00 0.04 0.00 0.00 61.00 62.92 2bw1 s PRO 87 Cb -0.16 -2.99 -0.15 0.00 0.04 0.00 0.00 34.50 31.24 2bw1 s PRO 87 CO -0.28 -0.18 0.80 1.19 0.04 0.00 0.00 177.00 178.56 2bw1 n PHE 88 N 0.66 0.50 -2.09 0.56 0.99 -1.26 -4.89 117.46 111.92 2bw1 n PHE 88 Ca 0.01 0.77 -0.04 0.00 -0.00 0.00 0.00 57.45 58.19 2bw1 n PHE 88 Cb 0.43 -2.13 -0.04 0.00 -1.00 0.00 0.00 39.48 36.74 2bw1 n PHE 88 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2bw1 n SER 89 N 1.46 -0.48 -4.06 4.37 3.41 -1.26 -4.94 113.62 112.12 2bw1 n SER 89 Ca 0.12 -1.88 -0.12 0.00 -0.26 0.00 0.00 58.87 56.74 2bw1 n SER 89 Cb 0.31 0.14 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 2bw1 n SER 89 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2bw1 s THR 90 N 0.00 0.46 0.24 6.66 -4.23 -1.26 -5.06 115.64 112.46 2bw1 s THR 90 Ca 0.06 -1.22 -0.06 0.00 -1.18 0.00 0.00 61.69 59.29 2bw1 s THR 90 Cb 0.07 -0.76 0.21 0.00 1.34 0.00 0.00 72.50 73.36 2bw1 s THR 90 CO -0.03 -0.52 1.86 -0.07 -0.54 0.00 0.00 174.62 175.32 2bw1 h LEU 91 N 4.21 0.87 -0.61 4.79 3.38 -1.99 -1.53 115.31 124.43 2bw1 h LEU 91 Ca -0.35 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 2bw1 h LEU 91 Cb 1.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2bw1 h LEU 91 CO 0.46 0.57 0.38 0.50 0.09 0.00 0.00 178.44 180.44 2bw1 h LYS 92 N 1.01 0.82 -0.73 1.13 3.64 -1.99 0.57 116.57 121.02 2bw1 h LYS 92 Ca 0.37 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2bw1 h LYS 92 Cb 0.12 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 2bw1 h LYS 92 CO -0.16 0.58 0.41 0.93 -2.27 0.00 0.00 179.45 178.94 2bw1 h GLU 93 N 0.83 1.02 -0.08 1.90 5.08 -1.87 0.69 114.58 122.14 2bw1 h GLU 93 Ca 0.22 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2bw1 h GLU 93 Cb -0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2bw1 h GLU 93 CO -0.04 0.76 0.04 0.74 -1.00 0.00 0.00 179.01 179.51 2bw1 h PHE 94 N 1.01 0.08 -0.29 4.33 0.05 -0.76 -1.84 116.94 119.52 2bw1 h PHE 94 Ca 0.26 0.00 -0.07 0.00 3.82 0.00 0.00 57.97 61.98 2bw1 h PHE 94 Cb 0.03 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 37.95 2bw1 h PHE 94 CO -0.00 0.05 -0.09 1.03 -0.18 0.00 0.00 178.31 179.12 2bw1 h SER 95 N 0.09 0.57 -0.28 2.17 0.87 -0.55 -1.37 113.55 115.06 2bw1 h SER 95 Ca 0.03 -0.38 -0.15 0.00 -1.23 0.00 0.00 61.79 60.06 2bw1 h SER 95 Cb -0.00 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2bw1 h SER 95 CO -0.02 0.82 -0.39 -0.33 -0.53 0.00 0.00 176.83 176.39 2bw1 h GLU 96 N 0.32 0.82 0.00 2.24 5.08 -0.90 -3.29 114.58 118.86 2bw1 h GLU 96 Ca 0.07 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 2bw1 h GLU 96 Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2bw1 h GLU 96 CO 0.03 1.06 -0.68 -0.91 -1.00 0.00 0.00 179.01 177.52 2bw1 h ASN 97 N 0.68 0.00 -3.98 1.42 2.35 -1.31 -3.46 115.58 111.28 2bw1 h ASN 97 Ca 0.06 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.29 2bw1 h ASN 97 Cb 0.95 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.40 2bw1 h ASN 97 CO 0.09 0.12 0.54 -0.55 -1.65 0.00 0.00 177.43 175.98 2bw1 s SER 98 N -5.80 6.15 0.00 5.81 0.15 -0.52 -4.90 113.70 114.59 2bw1 s SER 98 Ca 0.02 2.48 0.28 0.00 0.70 0.00 0.00 55.95 59.43 2bw1 s SER 98 Cb 0.08 -2.62 1.04 0.00 -1.71 0.00 0.00 66.02 62.81 2bw1 s SER 98 CO 0.75 -0.94 1.77 0.00 1.20 0.00 0.00 173.24 176.01 2bw1 n GLN 99 N -0.27 0.26 -2.85 5.44 6.02 -1.26 -4.88 117.38 119.84 2bw1 n GLN 99 Ca 0.06 -0.09 -0.34 0.00 -0.01 0.00 0.00 57.00 56.62 2bw1 n GLN 99 Cb 0.46 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.15 2bw1 n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2bw1 s LEU 100 N -2.80 4.09 -0.09 1.08 1.43 -1.26 -5.05 118.68 116.08 2bw1 s LEU 100 Ca 0.19 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 55.00 2bw1 s LEU 100 Cb 0.19 -4.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 2bw1 s LEU 100 CO 0.55 -0.24 -0.16 -0.54 0.23 0.00 0.00 176.35 176.20 2bw1 s LYS 101 N -2.76 2.93 0.17 1.70 1.02 -1.26 -5.06 119.74 116.47 2bw1 s LYS 101 Ca 0.57 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.83 2bw1 s LYS 101 Cb -0.12 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 2bw1 s LYS 101 CO 0.17 0.39 0.34 -1.21 -0.92 0.00 0.00 175.35 174.12 2bw1 s GLU 102 N -0.12 3.49 0.17 1.68 2.02 -1.26 -5.12 118.70 119.56 2bw1 s GLU 102 Ca -0.02 -0.43 0.06 0.00 0.02 0.00 0.00 54.97 54.60 2bw1 s GLU 102 Cb -0.14 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 2bw1 s GLU 102 CO 0.04 0.46 -0.12 0.14 0.02 0.00 0.00 175.26 175.79 2bw1 s VAL 103 N -1.80 1.41 0.51 2.63 -7.23 -1.26 -5.12 120.40 109.55 2bw1 s VAL 103 Ca 0.37 -2.09 -0.23 0.00 -1.81 0.00 0.00 61.98 58.23 2bw1 s VAL 103 Cb -0.11 -1.89 -0.06 0.00 0.56 0.00 0.00 36.38 34.88 2bw1 s VAL 103 CO 0.29 -0.65 1.34 -0.76 -0.31 0.00 0.00 175.10 175.00 2bw1 s LEU 104 N -3.15 3.93 0.39 1.32 1.43 -1.26 -4.94 118.68 116.39 2bw1 s LEU 104 Ca 0.18 2.71 -0.28 0.00 -1.03 0.00 0.00 54.13 55.72 2bw1 s LEU 104 Cb 0.00 -4.20 -0.10 0.00 0.03 0.00 0.00 46.19 41.92 2bw1 s LEU 104 CO 0.03 -1.38 1.46 -0.83 0.23 0.00 0.00 176.35 175.86 2bw1 s GLY 105 N -0.94 2.94 -0.19 -3.19 0.00 -1.26 -5.02 107.32 99.66 2bw1 s GLY 105 Ca 0.68 1.54 -0.04 0.00 0.00 0.00 0.00 44.72 46.89 2bw1 s GLY 105 CO 0.47 2.21 0.33 -0.35 0.00 0.00 0.00 173.10 175.76 2bw1 s ASP 106 N -0.24 0.32 0.27 1.64 -1.08 -1.26 -5.03 116.67 111.29 2bw1 s ASP 106 Ca 0.54 0.45 0.22 0.00 -0.52 0.00 0.00 52.55 53.24 2bw1 s ASP 106 Cb -0.46 0.95 1.01 0.00 -1.46 0.00 0.00 42.92 42.96 2bw1 s ASP 106 CO 0.61 -0.27 1.68 -1.22 0.52 0.00 0.00 175.17 176.49 2bw1 n TYR 107 N 5.36 0.75 1.08 -5.34 4.02 -1.26 -2.81 117.16 118.97 2bw1 n TYR 107 Ca -0.06 0.32 0.14 0.00 -0.01 0.00 0.00 57.90 58.29 2bw1 n TYR 107 Cb 0.50 -1.02 0.53 0.00 -0.02 0.00 0.00 39.34 39.33 2bw1 n TYR 107 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2bw1 n ASN 108 N -2.21 0.19 -4.73 7.72 3.02 -1.26 -4.64 115.26 113.35 2bw1 n ASN 108 Ca 0.01 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 2bw1 n ASN 108 Cb 0.17 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 2bw1 n ASN 108 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bw1 s VAL 109 N -2.90 2.42 0.64 2.41 1.01 -1.12 -5.00 120.40 117.85 2bw1 s VAL 109 Ca 0.16 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 2bw1 s VAL 109 Cb 0.19 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2bw1 s VAL 109 CO 0.56 0.04 1.04 0.42 0.00 0.00 0.00 175.10 177.16 2bw1 s THR 110 N 0.50 4.45 0.18 3.92 -4.23 -1.26 -4.59 115.64 114.61 2bw1 s THR 110 Ca 0.66 0.83 -0.15 0.00 -1.18 0.00 0.00 61.69 61.84 2bw1 s THR 110 Cb -0.45 -3.69 0.12 0.00 1.34 0.00 0.00 72.50 69.82 2bw1 s THR 110 CO 0.39 -1.01 1.68 0.40 -0.54 0.00 0.00 174.62 175.54 2bw1 h ILE 111 N -0.35 0.61 -0.79 2.99 1.08 -1.91 0.48 117.51 119.61 2bw1 h ILE 111 Ca -0.44 -0.02 0.05 0.00 -0.39 0.00 0.00 64.86 64.05 2bw1 h ILE 111 Cb 1.20 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.42 2bw1 h ILE 111 CO 0.60 0.01 0.49 -0.33 -0.69 0.00 0.00 178.15 178.23 2bw1 h GLU 112 N 0.07 0.90 -0.41 2.37 3.07 -1.93 -0.06 114.58 118.59 2bw1 h GLU 112 Ca 0.23 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.99 2bw1 h GLU 112 Cb 0.34 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 2bw1 h GLU 112 CO -0.41 0.59 0.10 0.93 -1.40 0.00 0.00 179.01 178.82 2bw1 h GLU 113 N 0.92 0.66 -0.38 2.33 5.08 -1.67 -1.28 114.58 120.24 2bw1 h GLU 113 Ca 0.33 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2bw1 h GLU 113 Cb 0.10 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2bw1 h GLU 113 CO -0.14 0.67 0.22 1.96 -1.00 0.00 0.00 179.01 180.71 2bw1 h GLN 114 N 0.52 0.43 -0.54 2.33 1.08 -0.39 0.74 115.11 119.29 2bw1 h GLN 114 Ca 0.13 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.23 2bw1 h GLN 114 Cb 0.31 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2bw1 h GLN 114 CO 0.00 0.28 0.04 -0.07 -0.95 0.00 0.00 178.83 178.13 2bw1 h LEU 115 N 0.44 0.85 -1.03 1.46 3.38 -0.94 -1.21 115.31 118.26 2bw1 h LEU 115 Ca 0.15 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2bw1 h LEU 115 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2bw1 h LEU 115 CO -0.08 0.89 -0.02 0.00 0.09 0.00 0.00 178.44 179.32 2bw1 h ALA 116 N 1.21 1.20 -0.62 1.53 0.00 -0.76 -0.90 119.26 120.93 2bw1 h ALA 116 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2bw1 h ALA 116 Cb 0.44 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2bw1 h ALA 116 CO 0.02 0.52 0.36 -0.09 0.00 0.00 0.00 179.25 180.06 2bw1 h ARG 117 N 0.62 0.85 -0.47 0.00 9.65 0.10 -1.70 114.38 123.42 2bw1 h ARG 117 Ca 0.12 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2bw1 h ARG 117 Cb 0.43 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 2bw1 h ARG 117 CO 0.02 0.62 0.17 0.28 2.80 0.00 0.00 179.97 183.86 2bw1 h VAL 118 N 0.84 1.22 -0.46 0.20 2.07 -0.85 -1.41 116.25 117.85 2bw1 h VAL 118 Ca 0.22 -0.70 0.08 0.00 0.82 0.00 0.00 66.70 67.12 2bw1 h VAL 118 Cb 0.01 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 2bw1 h VAL 118 CO -0.04 0.26 0.07 0.58 0.02 0.00 0.00 177.57 178.45 2bw1 h VAL 119 N 0.62 0.72 -0.68 2.57 2.07 -0.91 0.43 116.25 121.05 2bw1 h VAL 119 Ca 0.15 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 2bw1 h VAL 119 Cb 0.23 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2bw1 h VAL 119 CO -0.01 0.03 0.23 -0.33 0.02 0.00 0.00 177.57 177.51 2bw1 h GLU 120 N 0.19 1.04 -0.42 1.57 4.39 -0.80 0.21 114.58 120.76 2bw1 h GLU 120 Ca 0.23 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2bw1 h GLU 120 Cb 0.31 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2bw1 h GLU 120 CO -0.32 0.88 0.23 0.28 -1.16 0.00 0.00 179.01 178.91 2bw1 h VAL 121 N 1.00 1.15 -0.35 3.13 2.07 -0.72 -2.14 116.25 120.40 2bw1 h VAL 121 Ca 0.22 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 2bw1 h VAL 121 Cb 0.26 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2bw1 h VAL 121 CO -0.01 0.16 -0.17 -0.26 0.02 0.00 0.00 177.57 177.31 2bw1 h PHE 122 N 0.54 0.70 -0.64 1.57 -1.00 -0.34 -0.61 116.94 117.16 2bw1 h PHE 122 Ca 0.15 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2bw1 h PHE 122 Cb 0.05 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 2bw1 h PHE 122 CO -0.02 0.76 0.36 0.00 -1.61 0.00 0.00 178.31 177.80 2bw1 h ARG 123 N 0.57 0.88 0.39 1.51 3.08 -0.45 0.14 114.38 120.50 2bw1 h ARG 123 Ca 0.09 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2bw1 h ARG 123 Cb 0.61 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2bw1 h ARG 123 CO 0.04 0.66 -0.20 -0.92 -1.07 0.00 0.00 179.97 178.48 2bw1 h TYR 124 N 0.87 -0.52 -0.63 3.04 3.20 -1.11 -1.94 116.97 119.89 2bw1 h TYR 124 Ca 0.23 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.17 2bw1 h TYR 124 Cb 0.02 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.40 2bw1 h TYR 124 CO -0.01 -0.32 0.27 -0.07 -1.64 0.00 0.00 178.16 176.40 2bw1 h LEU 125 N -0.54 0.33 -1.24 2.82 3.38 -0.89 0.70 115.31 119.86 2bw1 h LEU 125 Ca -0.05 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2bw1 h LEU 125 Cb 0.42 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2bw1 h LEU 125 CO 0.08 0.20 0.31 0.00 0.09 0.00 0.00 178.44 179.12 2bw1 h ALA 126 N 1.40 1.42 -0.17 1.53 0.00 -0.64 0.76 119.26 123.55 2bw1 h ALA 126 Ca 0.31 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2bw1 h ALA 126 Cb 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2bw1 h ALA 126 CO -0.27 0.47 -0.35 0.00 0.00 0.00 0.00 179.25 179.10 2bw1 h ALA 127 N 1.51 0.28 -0.53 0.00 0.00 -0.69 -1.63 119.26 118.20 2bw1 h ALA 127 Ca 0.21 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.78 2bw1 h ALA 127 Cb 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2bw1 h ALA 127 CO -0.03 0.34 0.11 1.25 0.00 0.00 0.00 179.25 180.91 2bw1 h LEU 128 N 0.19 0.00 -1.27 0.00 5.85 -0.59 -1.00 115.31 118.50 2bw1 h LEU 128 Ca 0.01 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2bw1 h LEU 128 Cb 0.95 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 2bw1 h LEU 128 CO 0.08 0.02 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.62 2bw1 h PHE 129 N 0.24 0.09 -0.36 1.25 0.05 -0.72 0.12 116.94 117.60 2bw1 h PHE 129 Ca 0.27 -0.02 -0.04 0.00 3.82 0.00 0.00 57.97 62.00 2bw1 h PHE 129 Cb 0.37 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.28 2bw1 h PHE 129 CO -0.23 0.39 0.07 0.37 -0.18 0.00 0.00 178.31 178.73 2bw1 h GLN 130 N 0.07 0.59 -0.52 1.51 5.75 -0.66 0.16 115.11 122.01 2bw1 h GLN 130 Ca 0.01 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.38 2bw1 h GLN 130 Cb 0.60 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 2bw1 h GLN 130 CO 0.04 0.65 0.32 0.87 -2.65 0.00 0.00 178.83 178.07 2bw1 h LYS 131 N 0.43 0.62 -0.50 1.69 6.56 -0.66 0.14 116.57 124.85 2bw1 h LYS 131 Ca 0.11 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.62 2bw1 h LYS 131 Cb 0.34 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.84 2bw1 h LYS 131 CO 0.01 0.41 0.13 0.78 -2.06 0.00 0.00 179.45 178.72 2bw1 h GLY 132 N 0.64 0.86 0.33 3.86 0.00 -0.56 0.11 103.07 108.31 2bw1 h GLY 132 Ca 0.21 -0.53 0.07 0.00 0.00 0.00 0.00 47.33 47.08 2bw1 h GLY 132 CO -0.09 0.49 -0.03 -2.75 0.00 0.00 0.00 176.54 174.16 2bw1 h PHE 133 N 0.69 -0.09 -0.28 5.60 3.57 -0.27 -1.62 116.94 124.53 2bw1 h PHE 133 Ca 0.16 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 2bw1 h PHE 133 Cb 0.31 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2bw1 h PHE 133 CO 0.02 -0.11 -0.09 -0.44 -2.23 0.00 0.00 178.31 175.46 2bw1 h ASP 134 N 0.06 0.57 -0.08 0.41 3.32 -0.10 -1.53 116.42 119.07 2bw1 h ASP 134 Ca 0.19 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 2bw1 h ASP 134 Cb 0.27 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 2bw1 h ASP 134 CO -0.34 0.82 -0.00 0.58 -1.72 0.00 0.00 179.24 178.58 2bw1 h VAL 135 N 0.32 1.25 -0.31 -1.35 2.07 -0.74 -1.25 116.25 116.24 2bw1 h VAL 135 Ca 0.07 -0.79 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 2bw1 h VAL 135 Cb 0.58 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 2bw1 h VAL 135 CO 0.03 0.22 -0.03 0.77 0.02 0.00 0.00 177.57 178.59 2bw1 h SER 136 N -0.14 0.46 0.06 0.57 4.64 -1.35 -1.18 113.55 116.62 2bw1 h SER 136 Ca 0.02 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.17 2bw1 h SER 136 Cb 0.35 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2bw1 h SER 136 CO 0.00 0.55 -0.26 -0.78 -0.87 0.00 0.00 176.83 175.47 2bw1 h ASP 137 N 0.47 0.32 1.04 4.97 3.58 -1.12 0.73 116.42 126.41 2bw1 h ASP 137 Ca 0.10 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 2bw1 h ASP 137 Cb 0.35 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2bw1 h ASP 137 CO 0.01 0.59 -0.31 -0.33 -2.88 0.00 0.00 179.24 176.32 2bw1 h GLU 138 N 0.29 0.00 -0.03 0.28 3.07 -0.04 -2.98 114.58 115.18 2bw1 h GLU 138 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 2bw1 h GLU 138 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2bw1 h GLU 138 CO 0.04 0.31 -0.03 0.39 -1.40 0.00 0.00 179.01 178.33 2bw1 n GLU 139 N -3.39 2.04 -1.12 2.33 1.02 -0.77 -4.98 120.64 115.78 2bw1 n GLU 139 Ca 0.00 -1.77 -0.04 0.00 -0.02 0.00 0.00 57.16 55.33 2bw1 n GLU 139 Cb 0.51 -1.43 -0.02 0.00 -0.02 0.00 0.00 31.44 30.49 2bw1 n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bw1 n GLY 140 N 1.26 0.71 3.40 0.62 0.00 -0.85 -4.97 105.19 105.36 2bw1 n GLY 140 Ca 0.13 -0.74 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 2bw1 n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bw1 s ASP 141 N -2.83 6.90 0.30 1.61 -1.08 0.19 -4.88 116.67 116.89 2bw1 s ASP 141 Ca 0.00 -2.73 0.15 0.00 -0.52 0.00 0.00 52.55 49.45 2bw1 s ASP 141 Cb 0.00 -2.31 0.37 0.00 -1.46 0.00 0.00 42.92 39.52 2bw1 s ASP 141 CO 0.00 -0.71 1.59 0.77 0.52 0.00 0.00 175.17 177.34 2bw1 h SER 142 N 7.75 0.00 -0.05 -0.34 4.64 -1.94 -2.02 113.55 121.59 2bw1 h SER 142 Ca 0.18 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2bw1 h SER 142 Cb 0.97 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.05 2bw1 h SER 142 CO 1.02 0.52 0.02 0.58 -0.87 0.00 0.00 176.83 178.10 2bw1 h VAL 143 N 0.00 1.14 -0.68 0.95 2.07 -1.96 -2.05 116.25 115.72 2bw1 h VAL 143 Ca -0.01 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 2bw1 h VAL 143 Cb 1.16 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 2bw1 h VAL 143 CO 0.07 0.12 0.18 0.74 0.02 0.00 0.00 177.57 178.70 2bw1 h THR 144 N -0.08 1.26 -0.71 2.57 2.02 -1.93 -2.47 112.91 113.57 2bw1 h THR 144 Ca 0.02 -0.93 0.10 0.00 0.77 0.00 0.00 66.41 66.37 2bw1 h THR 144 Cb 0.17 0.54 -0.08 0.00 -1.74 0.00 0.00 68.15 67.04 2bw1 h THR 144 CO -0.00 0.36 0.33 -1.13 0.37 0.00 0.00 175.52 175.45 2bw1 h ASN 145 N 1.03 0.40 -0.00 4.18 -0.73 -1.27 -2.41 115.58 116.78 2bw1 h ASN 145 Ca 0.22 0.07 -0.17 0.00 1.87 0.00 0.00 56.30 58.29 2bw1 h ASN 145 Cb 0.34 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.94 2bw1 h ASN 145 CO -0.00 0.22 -0.60 -0.78 -0.37 0.00 0.00 177.43 175.90 2bw1 h ASP 146 N 0.55 0.68 -0.68 1.15 1.82 -0.93 -2.16 116.42 116.85 2bw1 h ASP 146 Ca 0.36 -0.38 0.10 0.00 -0.39 0.00 0.00 57.03 56.72 2bw1 h ASP 146 Cb 0.42 -0.20 -0.08 0.00 0.68 0.00 0.00 39.33 40.16 2bw1 h ASP 146 CO -0.30 1.12 0.29 0.40 -1.61 0.00 0.00 179.24 179.14 2bw1 h ILE 147 N 0.45 0.77 -0.11 2.25 2.04 -1.17 -1.38 117.51 120.37 2bw1 h ILE 147 Ca -0.00 -0.17 -0.20 0.00 1.00 0.00 0.00 64.86 65.49 2bw1 h ILE 147 Cb 1.16 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2bw1 h ILE 147 CO 0.11 0.09 -0.77 -0.26 0.00 0.00 0.00 178.15 177.33 2bw1 h PHE 148 N 0.49 0.78 -0.50 1.37 -1.00 -1.22 -2.24 116.94 114.61 2bw1 h PHE 148 Ca 0.35 -0.35 -0.04 0.00 2.81 0.00 0.00 57.97 60.73 2bw1 h PHE 148 Cb 0.43 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 2bw1 h PHE 148 CO -0.14 1.14 0.14 -0.97 -1.61 0.00 0.00 178.31 176.87 2bw1 h ASN 149 N 0.39 0.74 -0.28 2.17 -1.24 -1.03 0.15 115.58 116.48 2bw1 h ASN 149 Ca -0.04 -0.22 -0.04 0.00 0.71 0.00 0.00 56.30 56.70 2bw1 h ASN 149 Cb 1.37 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 40.21 2bw1 h ASN 149 CO 0.14 0.77 0.00 0.58 -1.29 0.00 0.00 177.43 177.63 2bw1 h VAL 150 N 0.68 1.26 -0.39 2.57 2.07 -1.24 -1.45 116.25 119.74 2bw1 h VAL 150 Ca 0.16 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2bw1 h VAL 150 Cb 0.30 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2bw1 h VAL 150 CO -0.00 0.30 0.12 0.00 0.02 0.00 0.00 177.57 178.00 2bw1 h ALA 151 N 0.83 0.51 -0.61 1.67 0.00 -1.33 -2.91 119.26 117.42 2bw1 h ALA 151 Ca 0.08 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.91 2bw1 h ALA 151 Cb 0.42 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 2bw1 h ALA 151 CO 0.01 0.16 0.25 -0.22 0.00 0.00 0.00 179.25 179.45 2bw1 h LYS 152 N 0.49 0.43 -0.60 0.00 3.64 -0.62 -1.74 116.57 118.17 2bw1 h LYS 152 Ca 0.13 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2bw1 h LYS 152 Cb 0.26 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2bw1 h LYS 152 CO -0.00 0.28 0.38 0.00 -2.27 0.00 0.00 179.45 177.84 2bw1 h ALA 153 N 1.40 0.76 0.05 5.00 0.00 -1.10 -1.27 119.26 124.10 2bw1 h ALA 153 Ca 0.30 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.93 2bw1 h ALA 153 Cb 0.35 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2bw1 h ALA 153 CO -0.28 0.15 -1.06 0.66 0.00 0.00 0.00 179.25 178.72 2bw1 h SER 154 N 0.77 0.60 -0.69 0.00 4.64 -1.31 -2.60 113.55 114.96 2bw1 h SER 154 Ca 0.23 -0.52 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 2bw1 h SER 154 Cb -0.05 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 2bw1 h SER 154 CO -0.07 1.34 0.41 0.40 -0.87 0.00 0.00 176.83 178.04 2bw1 h ILE 155 N 0.22 1.20 -0.54 0.95 1.08 -1.11 -2.22 117.51 117.10 2bw1 h ILE 155 Ca -0.11 -0.47 -0.04 0.00 -0.39 0.00 0.00 64.86 63.84 2bw1 h ILE 155 Cb 1.72 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 2bw1 h ILE 155 CO 0.19 0.22 0.16 -0.33 -0.69 0.00 0.00 178.15 177.69 2bw1 h GLU 156 N 0.95 0.81 -0.88 2.37 5.08 -1.20 -1.34 114.58 120.36 2bw1 h GLU 156 Ca 0.25 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2bw1 h GLU 156 Cb -0.01 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 2bw1 h GLU 156 CO -0.04 0.71 0.58 -0.22 -1.00 0.00 0.00 179.01 179.04 2bw1 h LYS 157 N 0.79 1.14 -0.70 2.33 3.64 -1.14 -2.00 116.57 120.62 2bw1 h LYS 157 Ca 0.18 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2bw1 h LYS 157 Cb 0.25 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2bw1 h LYS 157 CO -0.01 0.75 0.27 0.45 -2.27 0.00 0.00 179.45 178.65 2bw1 h HIS 158 N 1.17 1.07 -0.72 1.91 3.86 -0.85 -2.45 115.15 119.15 2bw1 h HIS 158 Ca 0.33 -0.09 0.06 0.00 -1.16 0.00 0.00 60.37 59.52 2bw1 h HIS 158 Cb -0.10 -0.32 -0.06 0.00 1.06 0.00 0.00 27.41 27.99 2bw1 h HIS 158 CO -0.01 0.84 0.41 0.82 0.86 0.00 0.00 177.93 180.84 2bw1 h ILE 159 N 1.00 0.97 -0.45 2.45 2.04 -0.89 0.39 117.51 123.03 2bw1 h ILE 159 Ca 0.23 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2bw1 h ILE 159 Cb 0.22 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 2bw1 h ILE 159 CO -0.02 0.13 0.25 -0.25 0.00 0.00 0.00 178.15 178.27 2bw1 h TRP 160 N 0.74 0.46 -0.17 1.37 7.01 -0.99 0.54 115.95 124.91 2bw1 h TRP 160 Ca 0.32 0.02 -0.18 0.00 2.11 0.00 0.00 58.89 61.16 2bw1 h TRP 160 Cb 0.21 -0.14 0.01 0.00 -2.10 0.00 0.00 29.16 27.13 2bw1 h TRP 160 CO -0.07 0.26 -0.59 0.52 -2.79 0.00 0.00 178.44 175.76 2bw1 h MET 161 N 0.50 0.70 -0.11 2.65 2.86 -0.92 0.02 114.93 120.64 2bw1 h MET 161 Ca 0.18 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 2bw1 h MET 161 Cb 0.05 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2bw1 h MET 161 CO -0.10 1.15 0.07 -0.07 1.06 0.00 0.00 176.91 179.01 2bw1 h LEU 162 N 0.40 0.13 -0.74 1.22 3.38 -0.86 -1.23 115.31 117.62 2bw1 h LEU 162 Ca -0.03 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2bw1 h LEU 162 Cb 1.22 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2bw1 h LEU 162 CO 0.13 0.12 0.48 1.56 0.09 0.00 0.00 178.44 180.82 2bw1 h GLN 163 N 0.13 0.93 -0.40 1.13 1.08 -0.82 -1.94 115.11 115.21 2bw1 h GLN 163 Ca 0.04 -0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.23 2bw1 h GLN 163 Cb 0.01 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.19 2bw1 h GLN 163 CO -0.01 0.62 0.14 0.00 -0.95 0.00 0.00 178.83 178.63 2bw1 h ALA 164 N 1.30 0.48 -0.79 3.87 0.00 -0.79 0.11 119.26 123.43 2bw1 h ALA 164 Ca 0.29 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.29 2bw1 h ALA 164 Cb -0.05 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2bw1 h ALA 164 CO -0.09 -0.25 0.52 1.49 0.00 0.00 0.00 179.25 180.93 2bw1 h GLU 165 N 0.30 0.90 -0.07 0.00 4.57 -0.95 -0.43 114.58 118.90 2bw1 h GLU 165 Ca 0.19 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2bw1 h GLU 165 Cb 0.17 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2bw1 h GLU 165 CO -0.19 0.60 0.00 1.28 -1.18 0.00 0.00 179.01 179.52 2bw1 n LEU 166 N -4.46 0.30 -1.24 1.64 4.77 -0.55 -4.90 117.00 112.55 2bw1 n LEU 166 Ca 0.11 -0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 55.81 2bw1 n LEU 166 Cb 0.16 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2bw1 n LEU 166 CO 0.34 0.07 -0.14 0.61 -1.33 0.00 0.00 177.39 176.94 2bw1 n GLY 167 N 0.58 0.41 3.46 -0.72 0.00 -0.17 -5.02 105.19 103.72 2bw1 n GLY 167 Ca 0.02 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 2bw1 n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bw1 s GLN 168 N -4.03 1.63 0.75 1.61 -0.21 0.28 -4.99 119.66 114.70 2bw1 s GLN 168 Ca 0.00 -1.84 -0.11 0.00 0.02 0.00 0.00 55.36 53.43 2bw1 s GLN 168 Cb 0.00 -1.24 0.04 0.00 1.00 0.00 0.00 33.01 32.81 2bw1 s GLN 168 CO 0.00 0.03 1.08 0.00 -2.12 0.00 0.00 175.29 174.27 2bw1 s ALA 169 N -2.96 2.41 0.33 6.09 0.00 -1.26 -3.31 121.76 123.06 2bw1 s ALA 169 Ca 0.31 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.31 2bw1 s ALA 169 Cb 0.04 -3.17 0.59 0.00 0.00 0.00 0.00 23.12 20.59 2bw1 s ALA 169 CO 0.13 -1.53 1.98 -1.35 0.00 0.00 0.00 175.76 174.99 2bw1 h PRO 170 N -0.95 0.90 -6.25 0.00 0.11 -1.87 -3.45 132.00 120.48 2bw1 h PRO 170 Ca -0.45 -0.05 -0.46 0.00 0.11 0.00 0.00 66.00 65.15 2bw1 h PRO 170 Cb 1.24 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2bw1 h PRO 170 CO 0.56 0.59 -0.81 1.63 -0.21 0.00 0.00 178.00 179.76 2bw1 n LYS 171 N -4.44 -4.80 0.00 1.05 5.02 -1.26 -4.88 118.16 108.84 2bw1 n LYS 171 Ca 0.09 0.57 0.02 0.00 -2.02 0.00 0.00 58.31 56.96 2bw1 n LYS 171 Cb 0.09 -5.18 0.10 0.00 -0.02 0.00 0.00 35.03 30.02 2bw1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16