#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw1 h ALA 23 N 0.00 1.02 -0.09 -1.18 0.00 -1.99 -2.46 119.26 114.55 2bw1 h ALA 23 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 2bw1 h ALA 23 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2bw1 h ALA 23 CO 0.00 0.18 -0.85 -0.44 0.00 0.00 0.00 179.25 178.14 2bw1 h ASP 24 N 0.00 0.84 -0.69 0.00 3.32 -1.99 -1.87 116.42 116.04 2bw1 h ASP 24 Ca -0.00 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 2bw1 h ASP 24 Cb 0.68 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 2bw1 h ASP 24 CO 0.02 1.39 0.41 0.28 -1.72 0.00 0.00 179.24 179.61 2bw1 h SER 25 N 0.44 0.84 -0.63 6.45 0.02 -1.81 -1.51 113.55 117.35 2bw1 h SER 25 Ca -0.07 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 2bw1 h SER 25 Cb 1.48 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 2bw1 h SER 25 CO 0.17 0.66 0.11 0.11 -1.14 0.00 0.00 176.83 176.74 2bw1 h LYS 26 N 0.94 1.04 -0.66 3.45 1.57 -1.48 0.51 116.57 121.96 2bw1 h LYS 26 Ca 0.25 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2bw1 h LYS 26 Cb -0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 2bw1 h LYS 26 CO -0.05 0.97 0.26 0.00 -0.57 0.00 0.00 179.45 180.06 2bw1 h ALA 27 N 1.03 0.85 -0.04 3.86 0.00 -1.15 -0.07 119.26 123.75 2bw1 h ALA 27 Ca 0.19 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 2bw1 h ALA 27 Cb 0.43 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2bw1 h ALA 27 CO 0.01 0.48 -0.92 -0.24 0.00 0.00 0.00 179.25 178.58 2bw1 h VAL 28 N 0.93 1.34 -0.35 0.00 3.04 -1.09 -0.15 116.25 119.97 2bw1 h VAL 28 Ca 0.22 -2.26 0.07 0.00 -1.01 0.00 0.00 66.70 63.72 2bw1 h VAL 28 Cb 0.22 2.29 -0.06 0.00 -2.01 0.00 0.00 31.29 31.72 2bw1 h VAL 28 CO -0.02 0.69 -0.08 -0.07 -1.01 0.00 0.00 177.57 177.09 2bw1 h LEU 29 N 0.34 -0.30 -1.00 3.16 3.38 -0.86 0.18 115.31 120.21 2bw1 h LEU 29 Ca -0.08 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2bw1 h LEU 29 Cb 1.55 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.48 2bw1 h LEU 29 CO 0.17 -0.11 0.19 -1.13 0.09 0.00 0.00 178.44 177.66 2bw1 h ASN 30 N 0.01 0.84 -0.51 -0.43 -1.24 -0.87 -1.23 115.58 112.16 2bw1 h ASN 30 Ca 0.17 -0.14 0.06 0.00 0.71 0.00 0.00 56.30 57.10 2bw1 h ASN 30 Cb 0.25 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 39.03 2bw1 h ASN 30 CO -0.35 0.79 0.23 -0.61 -1.29 0.00 0.00 177.43 176.20 2bw1 h GLN 31 N 0.89 0.43 -0.64 6.67 5.75 -0.48 -1.94 115.11 125.79 2bw1 h GLN 31 Ca 0.20 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 2bw1 h GLN 31 Cb 0.25 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 2bw1 h GLN 31 CO -0.01 0.29 0.33 0.00 -2.65 0.00 0.00 178.83 176.78 2bw1 h ALA 32 N 1.30 1.37 -0.03 3.38 0.00 -0.45 -0.35 119.26 124.48 2bw1 h ALA 32 Ca 0.23 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2bw1 h ALA 32 Cb 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2bw1 h ALA 32 CO -0.19 0.51 -0.20 0.28 0.00 0.00 0.00 179.25 179.64 2bw1 h VAL 33 N 0.90 0.52 0.00 0.00 2.07 -0.48 0.51 116.25 119.78 2bw1 h VAL 33 Ca 0.23 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.75 2bw1 h VAL 33 Cb 0.06 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2bw1 h VAL 33 CO -0.03 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.56 2bw1 h ALA 34 N 0.61 -0.00 -0.70 1.67 0.00 -1.00 -2.02 119.26 117.82 2bw1 h ALA 34 Ca 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2bw1 h ALA 34 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2bw1 h ALA 34 CO -0.21 -0.47 0.16 -0.44 0.00 0.00 0.00 179.25 178.28 2bw1 h ASP 35 N -0.06 1.08 -0.37 0.00 3.32 -0.96 -1.46 116.42 117.97 2bw1 h ASP 35 Ca -0.00 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.69 2bw1 h ASP 35 Cb 0.06 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2bw1 h ASP 35 CO 0.00 1.04 -0.23 -0.07 -1.72 0.00 0.00 179.24 178.26 2bw1 h LEU 36 N 1.07 0.89 -0.62 1.55 3.38 -0.91 0.43 115.31 121.09 2bw1 h LEU 36 Ca 0.22 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.88 2bw1 h LEU 36 Cb 0.39 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2bw1 h LEU 36 CO 0.01 1.08 0.40 0.28 0.09 0.00 0.00 178.44 180.29 2bw1 h SER 37 N 0.75 0.66 -0.24 -0.43 0.02 -1.06 0.21 113.55 113.46 2bw1 h SER 37 Ca 0.10 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.85 2bw1 h SER 37 Cb 0.77 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2bw1 h SER 37 CO 0.06 0.47 -0.57 0.58 -1.14 0.00 0.00 176.83 176.23 2bw1 h VAL 38 N 0.79 1.28 -0.44 2.27 2.07 -1.04 -2.60 116.25 118.57 2bw1 h VAL 38 Ca 0.24 -1.76 0.05 0.00 0.82 0.00 0.00 66.70 66.05 2bw1 h VAL 38 Cb -0.02 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2bw1 h VAL 38 CO -0.08 0.57 0.17 0.00 0.02 0.00 0.00 177.57 178.25 2bw1 h ALA 39 N 0.70 0.53 -0.47 1.67 0.00 0.17 0.14 119.26 122.01 2bw1 h ALA 39 Ca 0.01 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.03 2bw1 h ALA 39 Cb 1.18 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2bw1 h ALA 39 CO 0.13 -0.21 0.15 1.25 0.00 0.00 0.00 179.25 180.56 2bw1 h HIS 40 N 0.35 0.26 -0.27 0.00 2.76 -0.56 -0.79 115.15 116.90 2bw1 h HIS 40 Ca 0.20 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2bw1 h HIS 40 Cb 0.18 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 2bw1 h HIS 40 CO -0.14 0.08 0.18 1.03 -1.30 0.00 0.00 177.93 177.78 2bw1 h SER 41 N 0.31 0.31 -0.47 3.26 0.87 -0.95 -0.56 113.55 116.32 2bw1 h SER 41 Ca 0.22 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2bw1 h SER 41 Cb 0.24 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 2bw1 h SER 41 CO -0.24 0.23 0.30 0.40 -0.53 0.00 0.00 176.83 176.98 2bw1 h ILE 42 N 0.37 1.09 -0.67 2.23 2.04 -0.60 -0.75 117.51 121.22 2bw1 h ILE 42 Ca 0.10 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2bw1 h ILE 42 Cb -0.04 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 2bw1 h ILE 42 CO -0.02 0.11 0.42 -0.07 0.00 0.00 0.00 178.15 178.58 2bw1 h LEU 43 N 0.61 0.79 -0.46 1.44 3.38 -0.92 -1.57 115.31 118.59 2bw1 h LEU 43 Ca 0.18 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 2bw1 h LEU 43 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2bw1 h LEU 43 CO -0.05 0.60 -0.28 -0.74 0.09 0.00 0.00 178.44 178.05 2bw1 h HIS 44 N 0.92 1.14 -0.27 1.13 2.76 -0.46 -0.80 115.15 119.57 2bw1 h HIS 44 Ca 0.24 -0.30 0.04 0.00 -2.20 0.00 0.00 60.37 58.15 2bw1 h HIS 44 Cb -0.06 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 28.61 2bw1 h HIS 44 CO 0.00 1.13 0.04 0.37 -1.30 0.00 0.00 177.93 178.17 2bw1 h GLN 45 N 0.83 0.13 -0.38 5.26 4.15 -0.65 -0.66 115.11 123.79 2bw1 h GLN 45 Ca 0.09 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.53 2bw1 h GLN 45 Cb 0.87 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.50 2bw1 h GLN 45 CO 0.08 0.08 0.18 0.28 -1.93 0.00 0.00 178.83 177.53 2bw1 h VAL 46 N 0.13 0.97 -0.41 2.39 2.07 -1.07 0.18 116.25 120.52 2bw1 h VAL 46 Ca 0.12 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2bw1 h VAL 46 Cb 0.14 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 2bw1 h VAL 46 CO -0.18 0.07 -0.10 -0.74 0.02 0.00 0.00 177.57 176.64 2bw1 h HIS 47 N 0.38 -0.22 -0.04 1.57 -0.00 -0.92 -1.29 115.15 114.62 2bw1 h HIS 47 Ca 0.16 0.04 -0.14 0.00 -0.00 0.00 0.00 60.37 60.43 2bw1 h HIS 47 Cb 0.08 0.16 0.01 0.00 -0.00 0.00 0.00 27.41 27.66 2bw1 h HIS 47 CO -0.11 -0.18 -0.53 -1.49 -0.00 0.00 0.00 177.93 175.62 2bw1 h TRP 48 N -0.00 0.62 -0.01 5.26 6.55 -0.66 -3.34 115.95 124.37 2bw1 h TRP 48 Ca 0.20 -0.31 0.00 0.00 0.95 0.00 0.00 58.89 59.73 2bw1 h TRP 48 Cb 0.30 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 2bw1 h TRP 48 CO -0.36 1.10 -0.23 0.66 -1.05 0.00 0.00 178.44 178.55 2bw1 n TYR 49 N -4.25 0.00 -1.66 0.49 4.02 0.60 -4.94 117.16 111.42 2bw1 n TYR 49 Ca -0.09 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.33 2bw1 n TYR 49 Cb 0.63 -0.15 -0.04 0.00 -0.02 0.00 0.00 39.34 39.75 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 -0.81 2.02 -3.83 -0.72 1.56 -0.49 -4.44 117.12 110.41 2bw1 n MET 50 Ca 0.12 0.73 -0.12 0.00 -0.27 0.00 0.00 57.70 58.16 2bw1 n MET 50 Cb 0.33 -2.47 -0.13 0.00 2.15 0.00 0.00 33.22 33.10 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 0.70 0.12 0.00 2.12 0.52 -1.26 -5.04 118.95 116.11 2bw1 s ARG 51 Ca 0.78 0.16 0.00 0.00 -0.52 0.00 0.00 55.73 56.15 2bw1 s ARG 51 Cb -0.71 0.05 0.00 0.00 0.52 0.00 0.00 34.95 34.81 2bw1 s ARG 51 CO 0.40 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 176.11 2bw1 n GLY 52 N 3.09 2.40 3.71 -3.53 0.00 -1.26 -3.47 105.19 106.12 2bw1 n GLY 52 Ca -0.13 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.72 4.18 0.00 1.61 1.81 -1.26 -1.80 118.95 121.77 2bw1 s ARG 53 Ca 0.00 2.43 0.00 0.00 -1.72 0.00 0.00 55.73 56.44 2bw1 s ARG 53 Cb 0.00 -3.33 0.00 0.00 -0.45 0.00 0.00 34.95 31.17 2bw1 s ARG 53 CO 0.00 -0.70 0.00 0.41 -0.68 0.00 0.00 175.30 174.33 2bw1 n GLY 54 N 3.94 1.06 0.24 -3.53 0.00 -1.26 -4.95 105.19 100.69 2bw1 n GLY 54 Ca 0.15 0.00 0.01 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 -0.01 0.00 1.61 3.57 -1.73 -0.11 116.94 120.27 2bw1 h PHE 55 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2bw1 h PHE 55 Cb 0.00 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.84 2bw1 h PHE 55 CO 0.00 -0.15 -0.12 1.98 -2.23 0.00 0.00 178.31 177.79 2bw1 h MET 56 N 0.13 0.00 0.09 1.11 4.05 -1.95 0.29 114.93 118.66 2bw1 h MET 56 Ca 0.33 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.46 2bw1 h MET 56 Cb 0.53 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 2bw1 h MET 56 CO -0.52 0.12 -1.50 0.82 0.23 0.00 0.00 176.91 176.06 2bw1 h ILE 57 N 0.00 0.92 0.00 1.77 2.04 -1.78 -3.40 117.51 117.06 2bw1 h ILE 57 Ca -0.00 -2.33 -0.18 0.00 1.00 0.00 0.00 64.86 63.34 2bw1 h ILE 57 Cb 0.25 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 2bw1 h ILE 57 CO 0.02 0.66 -0.99 -0.50 0.00 0.00 0.00 178.15 177.34 2bw1 h TRP 58 N -0.38 0.00 0.75 1.37 4.06 -0.62 -2.81 115.95 118.33 2bw1 h TRP 58 Ca -0.34 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.58 2bw1 h TRP 58 Cb 1.71 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.87 2bw1 h TRP 58 CO 0.11 0.79 -0.47 1.25 -3.56 0.00 0.00 178.44 176.56 2bw1 h HIS 59 N 0.00 -1.27 0.00 0.49 2.76 -0.65 -2.01 115.15 114.47 2bw1 h HIS 59 Ca -0.06 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.05 2bw1 h HIS 59 Cb 1.66 0.45 -0.01 0.00 1.55 0.00 0.00 27.41 31.07 2bw1 h HIS 59 CO 0.00 -0.70 -0.20 -1.00 -1.30 0.00 0.00 177.93 174.72 2bw1 h PRO 60 N -1.15 0.00 -0.92 5.26 0.13 -1.77 -2.48 132.00 131.07 2bw1 h PRO 60 Ca -0.10 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.08 2bw1 h PRO 60 Cb 0.93 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.00 2bw1 h PRO 60 CO 0.09 0.20 0.60 -0.22 -0.23 0.00 0.00 178.00 178.45 2bw1 h LYS 61 N 0.00 1.06 -0.72 0.86 1.63 -1.20 -0.97 116.57 117.23 2bw1 h LYS 61 Ca -0.00 -0.06 0.11 0.00 -0.85 0.00 0.00 60.65 59.85 2bw1 h LYS 61 Cb 0.36 -0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 31.71 2bw1 h LYS 61 CO 0.03 0.70 0.48 0.52 -3.45 0.00 0.00 179.45 177.73 2bw1 h MET 62 N 1.10 0.51 -0.64 1.90 2.86 -0.88 -1.06 114.93 118.72 2bw1 h MET 62 Ca 0.38 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.92 2bw1 h MET 62 Cb 0.11 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 2bw1 h MET 62 CO -0.13 0.34 0.13 0.22 1.06 0.00 0.00 176.91 178.53 2bw1 h ASP 63 N 0.53 0.98 -0.17 1.22 3.58 -1.22 0.64 116.42 121.99 2bw1 h ASP 63 Ca 0.34 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2bw1 h ASP 63 Cb 0.60 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2bw1 h ASP 63 CO -0.12 0.96 0.04 -0.33 -2.88 0.00 0.00 179.24 176.92 2bw1 h GLU 64 N 0.97 0.27 -0.47 0.28 5.08 -1.10 -1.07 114.58 118.53 2bw1 h GLU 64 Ca 0.20 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2bw1 h GLU 64 Cb 0.39 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2bw1 h GLU 64 CO 0.01 0.41 0.30 1.88 -1.00 0.00 0.00 179.01 180.60 2bw1 h TYR 65 N 0.08 0.56 -0.58 4.33 0.99 -1.07 -1.25 116.97 120.03 2bw1 h TYR 65 Ca 0.05 0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.87 2bw1 h TYR 65 Cb 0.26 -0.18 -0.06 0.00 1.00 0.00 0.00 36.73 37.75 2bw1 h TYR 65 CO 0.01 0.33 0.27 0.52 -0.00 0.00 0.00 178.16 179.29 2bw1 h MET 66 N 0.60 0.48 -0.69 4.88 2.86 -0.76 0.28 114.93 122.58 2bw1 h MET 66 Ca 0.18 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.73 2bw1 h MET 66 Cb -0.02 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 2bw1 h MET 66 CO -0.07 0.32 0.17 1.49 1.06 0.00 0.00 176.91 179.88 2bw1 h GLU 67 N 0.50 1.10 -0.29 1.72 4.81 -0.79 -0.01 114.58 121.61 2bw1 h GLU 67 Ca 0.27 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2bw1 h GLU 67 Cb 0.24 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2bw1 h GLU 67 CO -0.22 0.97 0.10 1.49 -0.73 0.00 0.00 179.01 180.61 2bw1 h GLU 68 N 1.04 0.45 -0.58 1.92 4.81 -0.43 -1.51 114.58 120.28 2bw1 h GLU 68 Ca 0.22 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2bw1 h GLU 68 Cb 0.36 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 2bw1 h GLU 68 CO 0.00 0.50 0.36 0.82 -0.73 0.00 0.00 179.01 179.96 2bw1 h ILE 69 N 0.31 1.08 -0.32 2.32 5.03 -0.24 -2.24 117.51 123.46 2bw1 h ILE 69 Ca 0.09 -0.24 -0.02 0.00 -0.12 0.00 0.00 64.86 64.57 2bw1 h ILE 69 Cb 0.23 0.31 -0.02 0.00 -3.03 0.00 0.00 36.82 34.31 2bw1 h ILE 69 CO -0.00 0.13 0.12 0.44 -0.68 0.00 0.00 178.15 178.16 2bw1 h ASP 70 N 0.71 0.40 -0.21 1.72 3.45 -0.74 -0.26 116.42 121.48 2bw1 h ASP 70 Ca 0.23 -0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.64 2bw1 h ASP 70 Cb 0.00 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 2bw1 h ASP 70 CO -0.09 0.37 0.07 1.23 -1.57 0.00 0.00 179.24 179.25 2bw1 h GLY 71 N 0.61 0.36 0.87 2.75 0.00 -0.71 -0.69 103.07 106.25 2bw1 h GLY 71 Ca 0.11 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 47.26 2bw1 h GLY 71 CO -0.01 0.20 0.46 -0.97 0.00 0.00 0.00 176.54 176.22 2bw1 h TYR 72 N 0.17 0.87 -0.56 5.60 0.05 -0.98 0.16 116.97 122.28 2bw1 h TYR 72 Ca 0.07 0.02 0.08 0.00 0.05 0.00 0.00 58.73 58.95 2bw1 h TYR 72 Cb 0.23 -0.29 -0.06 0.00 1.01 0.00 0.00 36.73 37.63 2bw1 h TYR 72 CO 0.00 0.50 0.23 1.25 -1.05 0.00 0.00 178.16 179.09 2bw1 h LEU 73 N 0.91 0.26 0.38 3.88 5.85 -0.79 -0.15 115.31 125.64 2bw1 h LEU 73 Ca 0.29 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 2bw1 h LEU 73 Cb 0.01 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2bw1 h LEU 73 CO -0.11 0.17 -0.51 0.44 -0.34 0.00 0.00 178.44 178.08 2bw1 h ASP 74 N 0.43 -1.46 0.30 1.25 3.32 -0.38 0.23 116.42 120.11 2bw1 h ASP 74 Ca 0.27 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 2bw1 h ASP 74 Cb 0.29 0.50 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 2bw1 h ASP 74 CO -0.25 -0.63 -0.13 -0.33 -1.72 0.00 0.00 179.24 176.17 2bw1 h GLU 75 N -0.93 0.00 0.07 3.56 5.08 -0.23 -2.47 114.58 119.65 2bw1 h GLU 75 Ca -0.04 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.03 2bw1 h GLU 75 Cb 0.84 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 2bw1 h GLU 75 CO -0.14 0.13 -1.56 0.52 -1.00 0.00 0.00 179.01 176.97 2bw1 h MET 76 N 0.00 0.14 -0.21 2.33 2.86 -0.90 -2.74 114.93 116.41 2bw1 h MET 76 Ca -0.00 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.45 2bw1 h MET 76 Cb 0.31 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 2bw1 h MET 76 CO 0.02 1.12 -0.11 0.66 1.06 0.00 0.00 176.91 179.66 2bw1 h SER 77 N -0.48 -0.36 -0.34 1.22 4.64 -0.99 0.14 113.55 117.38 2bw1 h SER 77 Ca -0.37 0.09 0.07 0.00 -0.47 0.00 0.00 61.79 61.10 2bw1 h SER 77 Cb 1.66 0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.89 2bw1 h SER 77 CO -0.05 -0.14 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.39 2bw1 h GLU 78 N -0.09 0.04 -0.66 4.77 5.08 -1.58 0.03 114.58 122.18 2bw1 h GLU 78 Ca 0.12 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2bw1 h GLU 78 Cb 0.26 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2bw1 h GLU 78 CO -0.27 0.03 0.35 -0.09 -1.00 0.00 0.00 179.01 178.02 2bw1 h ARG 79 N 0.04 0.93 -0.18 2.33 9.65 -1.16 0.17 114.38 126.16 2bw1 h ARG 79 Ca 0.17 -0.12 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 2bw1 h ARG 79 Cb 0.24 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 2bw1 h ARG 79 CO -0.32 0.71 -0.01 1.25 2.80 0.00 0.00 179.97 184.40 2bw1 h LEU 80 N 0.90 -0.08 -0.46 3.80 5.85 -0.01 -0.60 115.31 124.71 2bw1 h LEU 80 Ca 0.23 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.05 2bw1 h LEU 80 Cb 0.07 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2bw1 h LEU 80 CO -0.03 -0.02 0.19 0.40 -0.34 0.00 0.00 178.44 178.63 2bw1 h ILE 81 N 0.05 0.88 -0.16 4.05 2.04 -0.38 -0.03 117.51 123.96 2bw1 h ILE 81 Ca 0.09 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 2bw1 h ILE 81 Cb 0.11 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2bw1 h ILE 81 CO -0.15 0.07 -0.08 0.74 0.00 0.00 0.00 178.15 178.73 2bw1 h THR 82 N 0.38 1.16 -0.04 -0.27 2.02 -0.56 0.11 112.91 115.70 2bw1 h THR 82 Ca 0.21 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2bw1 h THR 82 Cb 0.19 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2bw1 h THR 82 CO -0.20 0.21 0.00 0.18 0.37 0.00 0.00 175.52 176.08 2bw1 n LEU 83 N -4.32 0.39 0.00 2.58 4.77 -0.27 -4.90 117.00 115.26 2bw1 n LEU 83 Ca -0.01 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2bw1 n LEU 83 Cb 0.23 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2bw1 n LEU 83 CO 0.37 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2bw1 n GLY 84 N 0.85 0.49 1.62 -0.72 0.00 0.37 -5.06 105.19 102.75 2bw1 n GLY 84 Ca 0.14 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.62 1.05 2.62 -0.02 0.00 -0.07 -5.00 105.19 101.14 2bw1 n GLY 85 Ca 0.00 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.76 0.79 0.43 4.61 0.00 -1.26 -4.43 121.76 119.15 2bw1 s ALA 86 Ca 0.27 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 51.01 2bw1 s ALA 86 Cb -0.02 -1.33 -0.08 0.00 0.00 0.00 0.00 23.12 21.69 2bw1 s ALA 86 CO 0.18 -1.49 1.22 -1.25 0.00 0.00 0.00 175.76 174.42 2bw1 s PRO 87 N 1.99 3.88 0.34 0.00 0.04 -1.26 -4.97 135.00 135.03 2bw1 s PRO 87 Ca 0.06 1.95 -0.26 0.00 0.04 0.00 0.00 61.00 62.79 2bw1 s PRO 87 Cb -0.16 -2.61 -0.13 0.00 0.04 0.00 0.00 34.50 31.64 2bw1 s PRO 87 CO -0.25 -0.50 1.00 1.19 0.04 0.00 0.00 177.00 178.49 2bw1 n PHE 88 N -0.13 1.22 -2.09 0.56 0.99 -1.26 -4.90 117.46 111.85 2bw1 n PHE 88 Ca 0.05 0.64 -0.03 0.00 -0.00 0.00 0.00 57.45 58.11 2bw1 n PHE 88 Cb 0.46 -2.24 -0.03 0.00 -1.00 0.00 0.00 39.48 36.67 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 0.95 -0.32 -4.07 4.37 3.41 -1.26 -4.95 113.62 111.75 2bw1 n SER 89 Ca 0.09 -1.75 -0.12 0.00 -0.26 0.00 0.00 58.87 56.83 2bw1 n SER 89 Cb 0.35 0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.48 0.31 6.66 -4.23 -1.26 -5.05 115.64 112.56 2bw1 s THR 90 Ca 0.06 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 2bw1 s THR 90 Cb 0.07 -0.79 0.22 0.00 1.34 0.00 0.00 72.50 73.34 2bw1 s THR 90 CO -0.03 -0.52 1.93 -0.07 -0.54 0.00 0.00 174.62 175.40 2bw1 h LEU 91 N 4.19 0.78 -0.07 4.79 3.38 -1.99 -1.74 115.31 124.65 2bw1 h LEU 91 Ca -0.35 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.57 2bw1 h LEU 91 Cb 1.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2bw1 h LEU 91 CO 0.46 0.64 -0.04 0.50 0.09 0.00 0.00 178.44 180.10 2bw1 h LYS 92 N 0.88 -0.03 -0.68 1.13 3.64 -1.99 0.12 116.57 119.65 2bw1 h LYS 92 Ca 0.22 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2bw1 h LYS 92 Cb 0.05 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2bw1 h LYS 92 CO -0.03 -0.02 0.40 0.93 -2.27 0.00 0.00 179.45 178.46 2bw1 h GLU 93 N -0.04 0.92 -0.02 1.90 5.08 -1.90 -0.22 114.58 120.31 2bw1 h GLU 93 Ca 0.04 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2bw1 h GLU 93 Cb 0.10 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2bw1 h GLU 93 CO -0.10 0.66 -0.05 0.74 -1.00 0.00 0.00 179.01 179.26 2bw1 h PHE 94 N 0.92 -0.11 -0.43 4.33 0.05 -0.87 -0.44 116.94 120.39 2bw1 h PHE 94 Ca 0.24 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 62.00 2bw1 h PHE 94 Cb -0.02 0.05 -0.02 0.00 2.00 0.00 0.00 35.95 37.96 2bw1 h PHE 94 CO -0.01 -0.07 0.13 1.03 -0.18 0.00 0.00 178.31 179.21 2bw1 h SER 95 N -0.08 0.63 0.26 2.17 0.87 -0.79 -0.37 113.55 116.25 2bw1 h SER 95 Ca 0.03 -0.21 -0.16 0.00 -1.23 0.00 0.00 61.79 60.22 2bw1 h SER 95 Cb 0.11 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2bw1 h SER 95 CO -0.06 0.67 -0.63 -0.33 -0.53 0.00 0.00 176.83 175.95 2bw1 h GLU 96 N 0.55 0.35 0.00 2.24 5.08 -0.96 -3.27 114.58 118.58 2bw1 h GLU 96 Ca 0.14 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2bw1 h GLU 96 Cb 0.27 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2bw1 h GLU 96 CO -0.00 0.87 -0.85 -0.91 -1.00 0.00 0.00 179.01 177.11 2bw1 h ASN 97 N 0.26 0.00 -3.64 1.42 2.35 -0.96 -3.47 115.58 111.53 2bw1 h ASN 97 Ca -0.01 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.22 2bw1 h ASN 97 Cb 1.16 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.56 2bw1 h ASN 97 CO 0.10 0.04 0.54 -0.55 -1.65 0.00 0.00 177.43 175.91 2bw1 s SER 98 N -5.54 7.10 0.00 5.81 0.15 -0.16 -4.87 113.70 116.19 2bw1 s SER 98 Ca 0.01 2.31 0.29 0.00 0.70 0.00 0.00 55.95 59.26 2bw1 s SER 98 Cb 0.09 -2.62 1.36 0.00 -1.71 0.00 0.00 66.02 63.14 2bw1 s SER 98 CO 0.77 -0.32 1.96 0.00 1.20 0.00 0.00 173.24 176.85 2bw1 n GLN 99 N 1.83 0.40 -2.83 5.44 6.02 -1.26 -4.83 117.38 122.15 2bw1 n GLN 99 Ca 0.02 -0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.61 2bw1 n GLN 99 Cb 0.44 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.14 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 -2.64 4.09 -0.12 1.08 1.43 -1.26 -5.06 118.68 116.20 2bw1 s LEU 100 Ca 0.25 1.72 0.02 0.00 -1.03 0.00 0.00 54.13 55.09 2bw1 s LEU 100 Cb 0.20 -4.32 -0.01 0.00 0.03 0.00 0.00 46.19 42.10 2bw1 s LEU 100 CO 0.49 -0.24 -0.19 -1.59 0.23 0.00 0.00 176.35 175.05 2bw1 s LYS 101 N -2.75 3.20 0.05 1.70 0.00 -1.26 -5.08 119.74 115.60 2bw1 s LYS 101 Ca 0.57 -0.79 0.00 0.00 0.00 0.00 0.00 55.97 55.76 2bw1 s LYS 101 Cb -0.13 -2.47 -0.04 0.00 0.00 0.00 0.00 37.83 35.19 2bw1 s LYS 101 CO 0.17 0.17 0.18 -1.21 0.00 0.00 0.00 175.35 174.66 2bw1 s GLU 102 N 0.41 3.34 0.24 1.78 2.02 -1.26 -5.11 118.70 120.11 2bw1 s GLU 102 Ca -0.14 -0.47 0.06 0.00 0.02 0.00 0.00 54.97 54.45 2bw1 s GLU 102 Cb -0.17 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.02 2bw1 s GLU 102 CO 0.06 0.61 -0.08 0.14 0.02 0.00 0.00 175.26 176.02 2bw1 s VAL 103 N -1.45 1.54 0.36 2.63 -7.23 -1.26 -5.12 120.40 109.86 2bw1 s VAL 103 Ca 0.33 -2.13 -0.28 0.00 -1.81 0.00 0.00 61.98 58.08 2bw1 s VAL 103 Cb -0.13 -2.26 -0.12 0.00 0.56 0.00 0.00 36.38 34.44 2bw1 s VAL 103 CO 0.25 -0.43 1.42 0.18 -0.31 0.00 0.00 175.10 176.22 2bw1 n LEU 104 N -0.46 4.35 -4.75 1.32 4.77 -1.26 -4.92 117.00 116.05 2bw1 n LEU 104 Ca -0.07 1.22 -0.42 0.00 -0.03 0.00 0.00 56.01 56.72 2bw1 n LEU 104 Cb 0.62 -1.57 -0.00 0.00 -2.33 0.00 0.00 43.42 40.13 2bw1 n LEU 104 CO 0.37 -0.06 1.09 0.61 -1.33 0.00 0.00 177.39 178.07 2bw1 n GLY 105 N 0.61 1.05 2.78 -0.72 0.00 -1.26 -5.02 105.19 102.63 2bw1 n GLY 105 Ca 0.03 0.33 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 2bw1 n GLY 105 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bw1 s ASP 106 N -0.10 0.89 0.11 1.61 -1.08 -1.26 -5.02 116.67 111.82 2bw1 s ASP 106 Ca 0.55 0.25 0.22 0.00 -0.52 0.00 0.00 52.55 53.05 2bw1 s ASP 106 Cb -0.50 0.15 0.88 0.00 -1.46 0.00 0.00 42.92 41.98 2bw1 s ASP 106 CO 0.62 -0.25 1.68 -1.22 0.52 0.00 0.00 175.17 176.52 2bw1 n TYR 107 N 5.32 0.40 1.09 -5.34 4.02 -1.26 -3.29 117.16 118.10 2bw1 n TYR 107 Ca -0.04 0.14 0.10 0.00 -0.01 0.00 0.00 57.90 58.09 2bw1 n TYR 107 Cb 0.50 -0.73 0.33 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.85 1.88 -4.73 7.72 3.02 -1.26 -4.63 115.26 115.40 2bw1 n ASN 108 Ca 0.04 -1.77 -0.41 0.00 -0.03 0.00 0.00 54.58 52.41 2bw1 n ASN 108 Cb 0.26 -0.14 -0.04 0.00 -0.61 0.00 0.00 39.78 39.26 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 -1.73 3.82 0.71 2.41 1.01 -1.21 -5.03 120.40 120.39 2bw1 s VAL 109 Ca 0.32 1.50 -0.14 0.00 0.00 0.00 0.00 61.98 63.66 2bw1 s VAL 109 Cb 0.17 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.62 2bw1 s VAL 109 CO 0.26 0.22 1.12 0.42 0.00 0.00 0.00 175.10 177.12 2bw1 s THR 110 N 0.09 3.05 0.33 3.92 -4.23 -1.26 -4.55 115.64 112.98 2bw1 s THR 110 Ca 0.52 0.45 0.04 0.00 -1.18 0.00 0.00 61.69 61.52 2bw1 s THR 110 Cb -0.30 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 70.75 2bw1 s THR 110 CO 0.34 -0.34 1.86 -0.29 -0.54 0.00 0.00 174.62 175.65 2bw1 h ILE 111 N -0.37 1.20 -0.61 2.99 2.10 -1.92 -0.78 117.51 120.13 2bw1 h ILE 111 Ca -0.46 -0.82 -0.06 0.00 1.08 0.00 0.00 64.86 64.59 2bw1 h ILE 111 Cb 1.25 0.96 -0.03 0.00 -1.09 0.00 0.00 36.82 37.91 2bw1 h ILE 111 CO 0.52 0.28 0.12 -0.33 -1.08 0.00 0.00 178.15 177.66 2bw1 h GLU 112 N 0.52 0.97 -0.59 2.19 5.08 -1.92 -0.27 114.58 120.55 2bw1 h GLU 112 Ca 0.11 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2bw1 h GLU 112 Cb 0.35 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2bw1 h GLU 112 CO 0.01 0.88 -0.01 0.93 -1.00 0.00 0.00 179.01 179.83 2bw1 h GLU 113 N 0.92 1.04 -0.15 2.33 5.08 -1.79 -1.14 114.58 120.86 2bw1 h GLU 113 Ca 0.19 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2bw1 h GLU 113 Cb 0.37 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2bw1 h GLU 113 CO 0.01 1.02 0.07 1.96 -1.00 0.00 0.00 179.01 181.06 2bw1 h GLN 114 N 0.95 0.22 -0.80 2.33 1.08 -0.65 0.11 115.11 118.35 2bw1 h GLN 114 Ca 0.17 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.30 2bw1 h GLN 114 Cb 0.55 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.91 2bw1 h GLN 114 CO 0.03 0.28 0.38 -0.07 -0.95 0.00 0.00 178.83 178.50 2bw1 h LEU 115 N 0.11 1.05 -1.33 1.46 3.38 -1.02 -1.05 115.31 117.92 2bw1 h LEU 115 Ca 0.05 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2bw1 h LEU 115 Cb 0.13 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2bw1 h LEU 115 CO -0.01 0.89 0.46 0.00 0.09 0.00 0.00 178.44 179.88 2bw1 h ALA 116 N 1.20 1.53 -0.59 1.53 0.00 -0.92 -1.16 119.26 120.85 2bw1 h ALA 116 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2bw1 h ALA 116 Cb 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2bw1 h ALA 116 CO -0.03 0.43 0.34 -0.09 0.00 0.00 0.00 179.25 179.89 2bw1 h ARG 117 N 0.92 0.81 -0.49 0.00 9.65 0.28 -1.12 114.38 124.43 2bw1 h ARG 117 Ca 0.26 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 59.04 2bw1 h ARG 117 Cb -0.07 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.33 2bw1 h ARG 117 CO -0.06 0.60 0.22 0.28 2.80 0.00 0.00 179.97 183.81 2bw1 h VAL 118 N 0.80 1.20 -0.55 0.20 2.07 -0.66 -1.78 116.25 117.53 2bw1 h VAL 118 Ca 0.21 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.23 2bw1 h VAL 118 Cb 0.01 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 2bw1 h VAL 118 CO -0.04 0.22 0.19 0.58 0.02 0.00 0.00 177.57 178.55 2bw1 h VAL 119 N 0.65 0.79 -0.70 2.57 2.07 -0.86 0.17 116.25 120.95 2bw1 h VAL 119 Ca 0.17 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 2bw1 h VAL 119 Cb 0.15 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2bw1 h VAL 119 CO -0.02 0.07 0.27 -0.33 0.02 0.00 0.00 177.57 177.58 2bw1 h GLU 120 N 0.37 1.04 -0.52 1.57 4.39 -0.91 0.22 114.58 120.74 2bw1 h GLU 120 Ca 0.27 -0.19 0.03 0.00 0.34 0.00 0.00 59.36 59.81 2bw1 h GLU 120 Cb 0.32 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 2bw1 h GLU 120 CO -0.28 0.87 0.30 0.28 -1.16 0.00 0.00 179.01 179.01 2bw1 h VAL 121 N 0.99 1.03 -0.63 3.13 2.07 -0.80 -2.24 116.25 119.80 2bw1 h VAL 121 Ca 0.23 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 2bw1 h VAL 121 Cb 0.22 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2bw1 h VAL 121 CO -0.02 0.11 0.14 -0.26 0.02 0.00 0.00 177.57 177.56 2bw1 h PHE 122 N 0.59 1.06 -0.72 1.57 -1.00 0.05 -0.76 116.94 117.72 2bw1 h PHE 122 Ca 0.21 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.85 2bw1 h PHE 122 Cb 0.05 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.28 2bw1 h PHE 122 CO -0.07 0.88 0.37 0.00 -1.61 0.00 0.00 178.31 177.88 2bw1 h ARG 123 N 0.96 1.02 -0.05 1.51 3.08 -0.46 0.78 114.38 121.22 2bw1 h ARG 123 Ca 0.20 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 60.14 2bw1 h ARG 123 Cb 0.37 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2bw1 h ARG 123 CO 0.00 0.78 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.70 2bw1 h TYR 124 N 1.00 -0.15 -0.73 3.04 3.20 -1.07 -0.90 116.97 121.35 2bw1 h TYR 124 Ca 0.25 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 2bw1 h TYR 124 Cb 0.07 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2bw1 h TYR 124 CO 0.00 -0.10 0.33 -0.07 -1.64 0.00 0.00 178.16 176.68 2bw1 h LEU 125 N -0.09 0.98 -1.30 2.82 3.38 -0.67 0.17 115.31 120.60 2bw1 h LEU 125 Ca 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2bw1 h LEU 125 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2bw1 h LEU 125 CO -0.10 0.86 0.08 0.00 0.09 0.00 0.00 178.44 179.37 2bw1 h ALA 126 N 1.16 1.44 -0.07 1.53 0.00 -0.67 0.18 119.26 122.83 2bw1 h ALA 126 Ca 0.25 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 2bw1 h ALA 126 Cb 0.16 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.81 2bw1 h ALA 126 CO -0.03 0.41 -0.94 0.00 0.00 0.00 0.00 179.25 178.70 2bw1 h ALA 127 N 1.55 0.20 -0.56 0.00 0.00 -0.09 -1.59 119.26 118.77 2bw1 h ALA 127 Ca 0.12 -0.66 0.02 0.00 0.00 0.00 0.00 54.91 54.40 2bw1 h ALA 127 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2bw1 h ALA 127 CO -0.00 0.68 0.34 1.25 0.00 0.00 0.00 179.25 181.52 2bw1 h LEU 128 N 0.46 0.56 -1.18 0.00 5.85 -0.37 -1.84 115.31 118.79 2bw1 h LEU 128 Ca -0.10 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2bw1 h LEU 128 Cb 1.58 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 2bw1 h LEU 128 CO 0.19 0.39 -0.23 -0.26 -0.34 0.00 0.00 178.44 178.19 2bw1 h PHE 129 N 0.68 0.31 -0.44 1.25 0.05 -0.49 -1.81 116.94 116.48 2bw1 h PHE 129 Ca 0.22 -0.05 -0.01 0.00 3.82 0.00 0.00 57.97 61.95 2bw1 h PHE 129 Cb 0.01 -0.08 -0.02 0.00 2.00 0.00 0.00 35.95 37.86 2bw1 h PHE 129 CO -0.06 0.50 0.24 0.37 -0.18 0.00 0.00 178.31 179.19 2bw1 h GLN 130 N 0.26 0.61 -0.81 1.51 5.75 -0.94 -0.42 115.11 121.06 2bw1 h GLN 130 Ca 0.04 -0.07 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 2bw1 h GLN 130 Cb 0.56 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 2bw1 h GLN 130 CO 0.04 0.49 0.53 0.87 -2.65 0.00 0.00 178.83 178.11 2bw1 h LYS 131 N 0.58 0.97 -0.13 1.69 6.56 -0.80 -0.44 116.57 124.98 2bw1 h LYS 131 Ca 0.16 -0.06 -0.20 0.00 -1.06 0.00 0.00 60.65 59.49 2bw1 h LYS 131 Cb 0.05 -0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.49 2bw1 h LYS 131 CO -0.03 0.64 -0.73 0.78 -2.06 0.00 0.00 179.45 178.06 2bw1 h GLY 132 N 1.00 0.69 0.83 3.86 0.00 -0.89 -0.29 103.07 108.27 2bw1 h GLY 132 Ca 0.32 -0.95 0.02 0.00 0.00 0.00 0.00 47.33 46.72 2bw1 h GLY 132 CO -0.10 0.85 0.09 -2.75 0.00 0.00 0.00 176.54 174.64 2bw1 h PHE 133 N 0.43 0.17 0.20 5.60 3.57 -0.75 -0.06 116.94 126.11 2bw1 h PHE 133 Ca -0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2bw1 h PHE 133 Cb 1.33 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2bw1 h PHE 133 CO 0.07 0.09 -0.10 -0.44 -2.23 0.00 0.00 178.31 175.70 2bw1 h ASP 134 N 0.21 -0.23 -0.12 0.41 3.32 -0.78 0.33 116.42 119.57 2bw1 h ASP 134 Ca 0.10 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2bw1 h ASP 134 Cb 0.06 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2bw1 h ASP 134 CO -0.10 -0.11 0.05 0.58 -1.72 0.00 0.00 179.24 177.94 2bw1 h VAL 135 N -0.33 1.15 -0.57 -1.35 2.07 -1.02 -0.96 116.25 115.24 2bw1 h VAL 135 Ca -0.03 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 2bw1 h VAL 135 Cb 0.25 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2bw1 h VAL 135 CO 0.04 0.13 0.21 0.77 0.02 0.00 0.00 177.57 178.74 2bw1 h SER 136 N 0.04 0.76 -0.51 0.57 4.64 -0.96 -1.89 113.55 116.19 2bw1 h SER 136 Ca 0.04 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2bw1 h SER 136 Cb 0.16 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2bw1 h SER 136 CO -0.00 0.70 0.20 -0.78 -0.87 0.00 0.00 176.83 176.07 2bw1 h ASP 137 N 0.82 0.71 -0.26 4.97 3.58 -0.71 -0.69 116.42 124.84 2bw1 h ASP 137 Ca 0.19 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2bw1 h ASP 137 Cb 0.19 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2bw1 h ASP 137 CO -0.01 0.69 0.14 -0.33 -2.88 0.00 0.00 179.24 176.85 2bw1 h GLU 138 N 0.68 0.40 -0.00 0.28 3.07 -0.52 -2.23 114.58 116.27 2bw1 h GLU 138 Ca 0.17 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2bw1 h GLU 138 Cb 0.21 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2bw1 h GLU 138 CO -0.01 0.32 -0.72 0.39 -1.40 0.00 0.00 179.01 177.58 2bw1 n GLU 139 N -4.44 0.16 -0.98 2.33 1.02 -0.77 -4.98 120.64 112.98 2bw1 n GLU 139 Ca 0.01 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2bw1 n GLU 139 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.48 0.45 3.53 0.62 0.00 -0.49 -4.92 105.19 105.86 2bw1 n GLY 140 Ca 0.06 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.51 6.89 0.48 1.61 2.15 -0.39 -4.84 116.67 120.06 2bw1 s ASP 141 Ca 0.00 -2.56 0.27 0.00 0.43 0.00 0.00 52.55 50.69 2bw1 s ASP 141 Cb 0.00 -2.51 1.08 0.00 -0.30 0.00 0.00 42.92 41.19 2bw1 s ASP 141 CO 0.00 -1.04 1.89 0.77 -0.17 0.00 0.00 175.17 176.62 2bw1 h SER 142 N 7.61 0.00 0.18 -0.34 4.64 -1.94 -2.29 113.55 121.40 2bw1 h SER 142 Ca 0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 2bw1 h SER 142 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2bw1 h SER 142 CO 1.37 0.14 -0.09 0.58 -0.87 0.00 0.00 176.83 177.97 2bw1 h VAL 143 N 0.00 0.93 -0.84 0.95 2.07 -1.95 -1.88 116.25 115.52 2bw1 h VAL 143 Ca -0.00 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.75 2bw1 h VAL 143 Cb 0.65 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 2bw1 h VAL 143 CO 0.02 0.18 0.55 0.74 0.02 0.00 0.00 177.57 179.08 2bw1 h THR 144 N -0.68 0.99 -0.44 2.57 2.02 -1.94 -2.13 112.91 113.30 2bw1 h THR 144 Ca -0.02 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.89 2bw1 h THR 144 Cb 0.49 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2bw1 h THR 144 CO 0.04 0.16 0.24 -1.13 0.37 0.00 0.00 175.52 175.20 2bw1 h ASN 145 N 0.86 0.38 -0.70 4.18 -0.73 -1.29 -2.04 115.58 116.24 2bw1 h ASN 145 Ca 0.38 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.49 2bw1 h ASN 145 Cb 0.34 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.84 2bw1 h ASN 145 CO -0.15 0.27 0.17 -0.78 -0.37 0.00 0.00 177.43 176.57 2bw1 h ASP 146 N 0.49 1.07 -0.56 1.15 1.82 -0.70 -1.48 116.42 118.21 2bw1 h ASP 146 Ca 0.18 -0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 2bw1 h ASP 146 Cb 0.04 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 39.75 2bw1 h ASP 146 CO -0.10 1.02 0.32 0.40 -1.61 0.00 0.00 179.24 179.27 2bw1 h ILE 147 N 1.07 1.18 -0.52 2.25 2.04 -1.04 -1.36 117.51 121.13 2bw1 h ILE 147 Ca 0.22 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.55 2bw1 h ILE 147 Cb 0.37 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2bw1 h ILE 147 CO 0.00 0.19 -0.08 -0.26 0.00 0.00 0.00 178.15 178.01 2bw1 h PHE 148 N 0.75 1.08 -0.32 1.37 -1.00 -1.21 -2.72 116.94 114.89 2bw1 h PHE 148 Ca 0.20 -0.22 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 2bw1 h PHE 148 Cb 0.02 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.30 2bw1 h PHE 148 CO -0.02 1.01 0.12 -0.97 -1.61 0.00 0.00 178.31 176.85 2bw1 h ASN 149 N 0.84 0.45 -0.56 2.17 -1.24 -1.01 0.06 115.58 116.30 2bw1 h ASN 149 Ca 0.14 -0.17 -0.04 0.00 0.71 0.00 0.00 56.30 56.94 2bw1 h ASN 149 Cb 0.63 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.54 2bw1 h ASN 149 CO 0.04 0.50 0.20 0.58 -1.29 0.00 0.00 177.43 177.46 2bw1 h VAL 150 N 0.37 1.23 -0.30 2.57 2.07 -1.31 -1.49 116.25 119.39 2bw1 h VAL 150 Ca 0.11 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2bw1 h VAL 150 Cb 0.20 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2bw1 h VAL 150 CO -0.01 0.28 0.09 0.00 0.02 0.00 0.00 177.57 177.95 2bw1 h ALA 151 N 1.06 0.39 -0.61 1.67 0.00 -1.36 -2.85 119.26 117.56 2bw1 h ALA 151 Ca 0.18 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2bw1 h ALA 151 Cb 0.24 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2bw1 h ALA 151 CO -0.01 0.03 0.33 -0.22 0.00 0.00 0.00 179.25 179.38 2bw1 h LYS 152 N 0.32 0.61 -0.37 0.00 3.64 -0.69 -2.15 116.57 117.92 2bw1 h LYS 152 Ca 0.09 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2bw1 h LYS 152 Cb 0.26 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 2bw1 h LYS 152 CO -0.00 0.40 0.02 0.00 -2.27 0.00 0.00 179.45 177.60 2bw1 h ALA 153 N 1.32 0.35 -0.25 5.00 0.00 -1.10 -1.55 119.26 123.03 2bw1 h ALA 153 Ca 0.27 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 2bw1 h ALA 153 Cb 0.15 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2bw1 h ALA 153 CO -0.17 -0.38 -0.28 1.03 0.00 0.00 0.00 179.25 179.45 2bw1 h SER 154 N 0.12 0.67 -0.87 0.00 0.87 -1.29 -1.95 113.55 111.12 2bw1 h SER 154 Ca 0.18 -0.49 0.04 0.00 -1.23 0.00 0.00 61.79 60.29 2bw1 h SER 154 Cb 0.24 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 2bw1 h SER 154 CO -0.29 1.02 0.56 0.40 -0.53 0.00 0.00 176.83 177.99 2bw1 h ILE 155 N 0.34 1.12 -0.64 2.23 1.08 -1.21 -1.64 117.51 118.79 2bw1 h ILE 155 Ca 0.04 -0.37 -0.07 0.00 -0.39 0.00 0.00 64.86 64.07 2bw1 h ILE 155 Cb 0.85 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 2bw1 h ILE 155 CO 0.07 0.20 0.12 -0.33 -0.69 0.00 0.00 178.15 177.51 2bw1 h GLU 156 N 1.07 1.03 -0.81 2.37 5.08 -1.15 -0.28 114.58 121.89 2bw1 h GLU 156 Ca 0.35 -0.26 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2bw1 h GLU 156 Cb 0.03 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2bw1 h GLU 156 CO -0.13 0.94 0.52 -0.22 -1.00 0.00 0.00 179.01 179.13 2bw1 h LYS 157 N 0.98 1.00 -0.63 2.33 3.64 -0.92 -1.53 116.57 121.45 2bw1 h LYS 157 Ca 0.20 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 2bw1 h LYS 157 Cb 0.40 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2bw1 h LYS 157 CO 0.01 0.66 0.02 0.45 -2.27 0.00 0.00 179.45 178.32 2bw1 h HIS 158 N 1.03 1.19 -0.35 1.91 3.86 -0.36 -2.36 115.15 120.08 2bw1 h HIS 158 Ca 0.31 -0.20 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2bw1 h HIS 158 Cb -0.03 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.10 2bw1 h HIS 158 CO -0.02 1.03 0.17 0.82 0.86 0.00 0.00 177.93 180.79 2bw1 h ILE 159 N 1.00 0.98 -0.28 2.45 2.04 -0.74 0.27 117.51 123.24 2bw1 h ILE 159 Ca 0.18 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.98 2bw1 h ILE 159 Cb 0.54 0.60 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 2bw1 h ILE 159 CO 0.03 0.07 -0.34 -0.25 0.00 0.00 0.00 178.15 177.65 2bw1 h TRP 160 N 0.36 -0.96 -0.43 1.37 7.01 -1.06 0.10 115.95 122.34 2bw1 h TRP 160 Ca 0.14 0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 2bw1 h TRP 160 Cb 0.06 0.46 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 2bw1 h TRP 160 CO -0.10 -0.40 0.18 0.52 -2.79 0.00 0.00 178.44 175.85 2bw1 h MET 161 N -0.33 0.64 -0.28 2.65 2.86 -1.00 0.24 114.93 119.71 2bw1 h MET 161 Ca 0.13 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2bw1 h MET 161 Cb 0.55 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2bw1 h MET 161 CO -0.46 0.59 0.17 -0.07 1.06 0.00 0.00 176.91 178.20 2bw1 h LEU 162 N 0.56 0.33 -0.98 1.22 3.38 -0.33 -0.74 115.31 118.75 2bw1 h LEU 162 Ca 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2bw1 h LEU 162 Cb 0.18 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2bw1 h LEU 162 CO -0.01 0.27 0.53 1.56 0.09 0.00 0.00 178.44 180.89 2bw1 h GLN 163 N 0.36 1.24 -0.61 1.13 1.08 -0.56 -1.83 115.11 115.92 2bw1 h GLN 163 Ca 0.10 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2bw1 h GLN 163 Cb -0.00 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.15 2bw1 h GLN 163 CO -0.02 0.88 0.26 0.00 -0.95 0.00 0.00 178.83 179.00 2bw1 h ALA 164 N 1.33 0.79 -0.83 3.87 0.00 -0.06 0.12 119.26 124.48 2bw1 h ALA 164 Ca 0.32 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.21 2bw1 h ALA 164 Cb -0.03 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.43 2bw1 h ALA 164 CO -0.06 0.39 0.43 1.49 0.00 0.00 0.00 179.25 181.50 2bw1 h GLU 165 N 0.85 0.62 0.00 0.00 4.57 -0.85 -1.16 114.58 118.61 2bw1 h GLU 165 Ca 0.21 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2bw1 h GLU 165 Cb 0.18 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2bw1 h GLU 165 CO -0.02 0.41 0.00 1.28 -1.18 0.00 0.00 179.01 179.50 2bw1 n LEU 166 N -4.85 0.00 -1.19 1.64 4.77 -0.50 -4.89 117.00 111.98 2bw1 n LEU 166 Ca 0.16 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 2bw1 n LEU 166 Cb 0.39 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2bw1 n LEU 166 CO 0.22 0.00 -0.14 0.61 -1.33 0.00 0.00 177.39 176.76 2bw1 n GLY 167 N 0.54 0.07 3.21 -0.72 0.00 -0.44 -5.02 105.19 102.83 2bw1 n GLY 167 Ca 0.04 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.35 0.94 0.84 1.61 -0.21 0.29 -5.00 119.66 113.78 2bw1 s GLN 168 Ca 0.00 -1.36 -0.11 0.00 0.02 0.00 0.00 55.36 53.91 2bw1 s GLN 168 Cb 0.00 -0.44 0.10 0.00 1.00 0.00 0.00 33.01 33.67 2bw1 s GLN 168 CO 0.00 0.04 1.10 0.00 -2.12 0.00 0.00 175.29 174.31 2bw1 s ALA 169 N -3.31 1.83 0.34 6.09 0.00 -1.26 -3.19 121.76 122.26 2bw1 s ALA 169 Ca 0.13 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.42 2bw1 s ALA 169 Cb 0.03 -3.31 0.60 0.00 0.00 0.00 0.00 23.12 20.44 2bw1 s ALA 169 CO -0.02 -2.21 1.87 -1.35 0.00 0.00 0.00 175.76 174.06 2bw1 h PRO 170 N -1.45 0.51 -6.38 0.00 0.11 -1.87 -3.46 132.00 119.45 2bw1 h PRO 170 Ca -0.45 -0.11 -0.48 0.00 0.11 0.00 0.00 66.00 65.07 2bw1 h PRO 170 Cb 1.25 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2bw1 h PRO 170 CO 0.49 0.55 -0.85 1.63 -0.21 0.00 0.00 178.00 179.61 2bw1 n LYS 171 N -4.27 -4.05 0.00 1.05 5.02 -1.26 -4.84 118.16 109.80 2bw1 n LYS 171 Ca 0.01 0.49 0.01 0.00 -2.02 0.00 0.00 58.31 56.80 2bw1 n LYS 171 Cb 0.25 -4.91 0.04 0.00 -0.02 0.00 0.00 35.03 30.39 2bw1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16