#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 0.89 -2.49 -1.18 0.00 -2.01 -3.46 119.26 111.01 2bw1 h ALA 23 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 54.91 54.11 2bw1 h ALA 23 Cb 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.54 2bw1 h ALA 23 CO 0.00 0.63 -0.56 0.16 0.00 0.00 0.00 179.25 179.48 2bw1 s ASP 24 N -6.84 1.24 0.21 0.00 1.47 -1.26 -5.04 116.67 106.46 2bw1 s ASP 24 Ca -0.08 -1.54 -0.09 0.00 1.18 0.00 0.00 52.55 52.02 2bw1 s ASP 24 Cb 0.13 0.40 0.23 0.00 -0.34 0.00 0.00 42.92 43.33 2bw1 s ASP 24 CO 0.82 -0.89 1.83 0.28 0.68 0.00 0.00 175.17 177.89 2bw1 h SER 25 N 2.30 0.68 -0.48 2.11 0.02 -1.91 -1.33 113.55 114.94 2bw1 h SER 25 Ca -0.33 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 60.71 2bw1 h SER 25 Cb 1.25 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.59 2bw1 h SER 25 CO 0.50 0.45 0.09 0.11 -1.14 0.00 0.00 176.83 176.85 2bw1 h LYS 26 N 0.81 0.22 -0.57 3.45 1.57 -1.97 0.12 116.57 120.20 2bw1 h LYS 26 Ca 0.30 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 2bw1 h LYS 26 Cb 0.10 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2bw1 h LYS 26 CO -0.14 0.14 0.27 0.00 -0.57 0.00 0.00 179.45 179.15 2bw1 h ALA 27 N 1.37 0.74 -0.48 3.86 0.00 -1.75 -1.81 119.26 121.18 2bw1 h ALA 27 Ca 0.24 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 2bw1 h ALA 27 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2bw1 h ALA 27 CO -0.32 0.30 -0.15 0.28 0.00 0.00 0.00 179.25 179.37 2bw1 h VAL 28 N 0.77 1.27 -0.52 0.00 2.07 -0.78 -1.62 116.25 117.45 2bw1 h VAL 28 Ca 0.20 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.44 2bw1 h VAL 28 Cb 0.13 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2bw1 h VAL 28 CO -0.02 0.45 0.31 -0.07 0.02 0.00 0.00 177.57 178.25 2bw1 h LEU 29 N 0.81 0.50 -0.91 2.57 3.38 -0.65 -0.73 115.31 120.27 2bw1 h LEU 29 Ca 0.12 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2bw1 h LEU 29 Cb 0.72 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2bw1 h LEU 29 CO 0.05 0.35 -0.12 -1.13 0.09 0.00 0.00 178.44 177.69 2bw1 h ASN 30 N 0.61 0.66 -0.50 -0.43 -1.24 -1.15 0.36 115.58 113.90 2bw1 h ASN 30 Ca 0.21 -0.19 0.03 0.00 0.71 0.00 0.00 56.30 57.06 2bw1 h ASN 30 Cb 0.03 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.86 2bw1 h ASN 30 CO -0.10 0.81 0.29 -0.61 -1.29 0.00 0.00 177.43 176.53 2bw1 h GLN 31 N 0.62 0.55 -0.83 6.67 5.75 -0.99 -1.82 115.11 125.05 2bw1 h GLN 31 Ca 0.11 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2bw1 h GLN 31 Cb 0.56 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 2bw1 h GLN 31 CO 0.03 0.36 0.47 0.00 -2.65 0.00 0.00 178.83 177.05 2bw1 h ALA 32 N 1.23 1.06 -0.16 3.38 0.00 -0.23 0.15 119.26 124.70 2bw1 h ALA 32 Ca 0.21 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2bw1 h ALA 32 Cb 0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 2bw1 h ALA 32 CO -0.11 0.56 -0.21 0.28 0.00 0.00 0.00 179.25 179.77 2bw1 h VAL 33 N 1.15 0.47 -0.35 0.00 2.07 -0.16 0.36 116.25 119.79 2bw1 h VAL 33 Ca 0.29 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.81 2bw1 h VAL 33 Cb 0.00 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 2bw1 h VAL 33 CO -0.05 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.76 2bw1 h ALA 34 N 0.77 0.45 -0.45 1.67 0.00 -1.03 -1.82 119.26 118.85 2bw1 h ALA 34 Ca 0.11 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2bw1 h ALA 34 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2bw1 h ALA 34 CO -0.31 -0.06 -0.27 -0.44 0.00 0.00 0.00 179.25 178.17 2bw1 h ASP 35 N 0.46 1.01 -0.21 0.00 3.32 -0.57 -1.82 116.42 118.61 2bw1 h ASP 35 Ca 0.13 -0.42 -0.09 0.00 0.02 0.00 0.00 57.03 56.66 2bw1 h ASP 35 Cb -0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 2bw1 h ASP 35 CO -0.02 1.21 -0.17 -0.07 -1.72 0.00 0.00 179.24 178.47 2bw1 h LEU 36 N 0.82 0.63 -0.70 1.55 3.38 -0.27 0.28 115.31 121.00 2bw1 h LEU 36 Ca 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2bw1 h LEU 36 Cb 0.86 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2bw1 h LEU 36 CO 0.08 0.81 0.39 0.28 0.09 0.00 0.00 178.44 180.09 2bw1 h SER 37 N 0.57 0.86 -0.01 -0.43 0.02 -1.06 -0.64 113.55 112.86 2bw1 h SER 37 Ca 0.09 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 2bw1 h SER 37 Cb 0.61 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2bw1 h SER 37 CO 0.04 0.70 -0.69 0.58 -1.14 0.00 0.00 176.83 176.32 2bw1 h VAL 38 N 0.95 1.31 -0.80 2.27 2.07 -1.03 -2.90 116.25 118.13 2bw1 h VAL 38 Ca 0.25 -1.95 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 2bw1 h VAL 38 Cb 0.02 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 2bw1 h VAL 38 CO -0.04 0.61 0.49 0.00 0.02 0.00 0.00 177.57 178.65 2bw1 h ALA 39 N 0.77 1.36 -0.60 1.67 0.00 -0.28 -0.24 119.26 121.93 2bw1 h ALA 39 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2bw1 h ALA 39 Cb 1.28 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2bw1 h ALA 39 CO 0.13 0.56 0.34 1.25 0.00 0.00 0.00 179.25 181.54 2bw1 h HIS 40 N 1.10 0.81 -0.27 0.00 6.17 -1.05 -0.59 115.15 121.32 2bw1 h HIS 40 Ca 0.29 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.34 2bw1 h HIS 40 Cb -0.06 -0.26 -0.01 0.00 2.52 0.00 0.00 27.41 29.60 2bw1 h HIS 40 CO 0.00 0.57 0.09 1.03 0.71 0.00 0.00 177.93 180.34 2bw1 h SER 41 N 0.81 0.39 -0.32 3.26 0.87 -1.11 -0.94 113.55 116.52 2bw1 h SER 41 Ca 0.21 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2bw1 h SER 41 Cb 0.02 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2bw1 h SER 41 CO -0.04 0.48 0.15 0.40 -0.53 0.00 0.00 176.83 177.30 2bw1 h ILE 42 N 0.28 1.16 -0.99 2.23 2.04 -0.87 -1.88 117.51 119.49 2bw1 h ILE 42 Ca 0.09 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.60 2bw1 h ILE 42 Cb 0.23 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 37.10 2bw1 h ILE 42 CO -0.00 0.17 0.63 -0.07 0.00 0.00 0.00 178.15 178.87 2bw1 h LEU 43 N 0.38 0.92 -0.75 1.44 3.38 -1.00 -1.18 115.31 118.50 2bw1 h LEU 43 Ca 0.11 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2bw1 h LEU 43 Cb 0.12 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2bw1 h LEU 43 CO -0.01 0.51 0.06 -0.74 0.09 0.00 0.00 178.44 178.35 2bw1 h HIS 44 N 1.00 1.08 -0.30 1.13 2.76 -0.80 -0.64 115.15 119.38 2bw1 h HIS 44 Ca 0.48 -0.15 -0.02 0.00 -2.20 0.00 0.00 60.37 58.48 2bw1 h HIS 44 Cb 0.45 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 2bw1 h HIS 44 CO -0.00 0.93 0.12 0.37 -1.30 0.00 0.00 177.93 178.05 2bw1 h GLN 45 N 0.94 0.45 -0.31 5.26 4.15 -0.64 -0.93 115.11 124.02 2bw1 h GLN 45 Ca 0.18 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.58 2bw1 h GLN 45 Cb 0.46 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 2bw1 h GLN 45 CO 0.02 0.45 0.00 0.28 -1.93 0.00 0.00 178.83 177.66 2bw1 h VAL 46 N 0.34 0.78 -0.30 2.39 2.07 -1.06 0.67 116.25 121.12 2bw1 h VAL 46 Ca 0.10 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2bw1 h VAL 46 Cb 0.17 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 2bw1 h VAL 46 CO -0.01 0.02 -0.22 -0.74 0.02 0.00 0.00 177.57 176.63 2bw1 h HIS 47 N 0.10 -0.58 -0.07 1.57 -0.00 -0.84 -2.23 115.15 113.09 2bw1 h HIS 47 Ca 0.15 0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.50 2bw1 h HIS 47 Cb 0.20 0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2bw1 h HIS 47 CO -0.22 -0.30 -0.20 -1.49 -0.00 0.00 0.00 177.93 175.71 2bw1 h TRP 48 N -0.20 0.35 -0.01 5.26 6.55 -0.77 -3.32 115.95 123.80 2bw1 h TRP 48 Ca 0.16 -0.14 0.00 0.00 0.95 0.00 0.00 58.89 59.86 2bw1 h TRP 48 Cb 0.44 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 28.68 2bw1 h TRP 48 CO -0.41 0.82 -0.13 0.66 -1.05 0.00 0.00 178.44 178.33 2bw1 n TYR 49 N -4.54 0.00 -1.65 0.49 4.02 0.19 -4.94 117.16 110.73 2bw1 n TYR 49 Ca -0.08 0.00 -0.46 0.00 -0.01 0.00 0.00 57.90 57.35 2bw1 n TYR 49 Cb 0.42 -0.12 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 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 -0.64 1.84 -3.77 -0.72 1.56 -0.84 -4.39 117.12 110.15 2bw1 n MET 50 Ca 0.15 0.66 -0.13 0.00 -0.27 0.00 0.00 57.70 58.11 2bw1 n MET 50 Cb 0.31 -2.29 -0.11 0.00 2.15 0.00 0.00 33.22 33.27 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 -0.25 0.37 0.00 2.12 0.52 -1.26 -5.05 118.95 115.40 2bw1 s ARG 51 Ca 0.71 0.41 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 2bw1 s ARG 51 Cb -0.70 0.18 0.00 0.00 0.52 0.00 0.00 34.95 34.94 2bw1 s ARG 51 CO 0.49 -0.05 0.00 0.41 0.02 0.00 0.00 175.30 176.17 2bw1 n GLY 52 N 2.87 2.84 3.72 -3.53 0.00 -1.26 -3.75 105.19 106.08 2bw1 n GLY 52 Ca -0.13 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 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 -2.03 4.25 0.00 1.61 1.81 -1.26 -1.56 118.95 121.76 2bw1 s ARG 53 Ca 0.00 2.30 0.00 0.00 -1.72 0.00 0.00 55.73 56.31 2bw1 s ARG 53 Cb 0.00 -3.16 0.00 0.00 -0.45 0.00 0.00 34.95 31.34 2bw1 s ARG 53 CO 0.00 -0.54 0.00 0.41 -0.68 0.00 0.00 175.30 174.49 2bw1 n GLY 54 N 3.38 1.25 0.23 -3.53 0.00 -1.26 -4.91 105.19 100.34 2bw1 n GLY 54 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.07 0.00 1.61 3.57 -1.66 -0.25 116.94 120.14 2bw1 h PHE 55 Ca 0.00 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2bw1 h PHE 55 Cb 0.00 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2bw1 h PHE 55 CO 0.00 -0.17 -0.14 1.98 -2.23 0.00 0.00 178.31 177.75 2bw1 h MET 56 N 0.10 0.00 0.00 1.11 4.05 -1.95 0.14 114.93 118.39 2bw1 h MET 56 Ca 0.31 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.70 2bw1 h MET 56 Cb 0.50 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 2bw1 h MET 56 CO -0.52 0.14 -0.20 0.82 0.23 0.00 0.00 176.91 177.38 2bw1 h ILE 57 N 0.00 1.30 0.00 1.77 2.04 -1.83 -3.41 117.51 117.38 2bw1 h ILE 57 Ca -0.00 -2.05 -0.16 0.00 1.00 0.00 0.00 64.86 63.65 2bw1 h ILE 57 Cb 0.33 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 2bw1 h ILE 57 CO 0.02 0.44 -0.90 -0.50 0.00 0.00 0.00 178.15 177.21 2bw1 h TRP 58 N -1.00 0.00 0.57 1.37 4.06 -0.79 -2.72 115.95 117.45 2bw1 h TRP 58 Ca -0.05 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 2bw1 h TRP 58 Cb 0.85 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.01 2bw1 h TRP 58 CO 0.19 0.69 -0.35 1.25 -3.56 0.00 0.00 178.44 176.66 2bw1 h HIS 59 N 0.00 -0.92 -0.16 0.49 2.76 -0.94 -2.18 115.15 114.21 2bw1 h HIS 59 Ca -0.06 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 2bw1 h HIS 59 Cb 1.57 0.32 -0.01 0.00 1.55 0.00 0.00 27.41 30.85 2bw1 h HIS 59 CO 0.00 -0.53 -0.08 -1.00 -1.30 0.00 0.00 177.93 175.02 2bw1 h PRO 60 N -0.87 0.24 -0.97 5.26 0.13 -1.78 -2.80 132.00 131.20 2bw1 h PRO 60 Ca -0.07 -0.05 0.09 0.00 -0.87 0.00 0.00 66.00 65.11 2bw1 h PRO 60 Cb 0.70 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 31.72 2bw1 h PRO 60 CO 0.07 0.33 0.62 -0.22 -0.23 0.00 0.00 178.00 178.58 2bw1 h LYS 61 N 0.23 0.99 -0.58 0.86 1.63 -1.22 -1.67 116.57 116.81 2bw1 h LYS 61 Ca 0.05 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 2bw1 h LYS 61 Cb 0.29 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 2bw1 h LYS 61 CO 0.01 0.66 0.39 0.52 -3.45 0.00 0.00 179.45 177.58 2bw1 h MET 62 N 1.02 0.70 -0.57 1.90 2.86 -1.11 -0.82 114.93 118.90 2bw1 h MET 62 Ca 0.45 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 58.04 2bw1 h MET 62 Cb 0.36 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 2bw1 h MET 62 CO -0.21 0.46 0.33 -0.44 1.06 0.00 0.00 176.91 178.11 2bw1 h ASP 63 N 0.72 0.71 -0.37 1.22 3.32 -1.36 0.23 116.42 120.88 2bw1 h ASP 63 Ca 0.23 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2bw1 h ASP 63 Cb 0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2bw1 h ASP 63 CO -0.06 0.58 0.20 -0.33 -1.72 0.00 0.00 179.24 177.91 2bw1 h GLU 64 N 0.77 0.51 -0.37 3.56 5.08 -1.08 -1.23 114.58 121.82 2bw1 h GLU 64 Ca 0.20 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2bw1 h GLU 64 Cb 0.02 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2bw1 h GLU 64 CO -0.03 0.42 0.20 1.88 -1.00 0.00 0.00 179.01 180.48 2bw1 h TYR 65 N 0.47 0.50 -0.84 4.33 0.99 -1.01 -1.89 116.97 119.52 2bw1 h TYR 65 Ca 0.13 -0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.93 2bw1 h TYR 65 Cb 0.06 -0.16 -0.07 0.00 1.00 0.00 0.00 36.73 37.56 2bw1 h TYR 65 CO -0.03 0.39 0.50 0.52 -0.00 0.00 0.00 178.16 179.54 2bw1 h MET 66 N 0.47 0.85 -0.62 4.88 2.86 -0.38 0.91 114.93 123.90 2bw1 h MET 66 Ca 0.13 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 2bw1 h MET 66 Cb 0.05 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 2bw1 h MET 66 CO -0.02 0.56 0.07 1.49 1.06 0.00 0.00 176.91 180.07 2bw1 h GLU 67 N 0.88 1.04 -0.25 1.72 4.81 -0.96 -0.70 114.58 121.11 2bw1 h GLU 67 Ca 0.38 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 2bw1 h GLU 67 Cb 0.26 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2bw1 h GLU 67 CO -0.21 0.97 0.05 1.49 -0.73 0.00 0.00 179.01 180.59 2bw1 h GLU 68 N 0.96 0.41 -0.75 1.92 4.81 -0.71 -0.59 114.58 120.64 2bw1 h GLU 68 Ca 0.19 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2bw1 h GLU 68 Cb 0.46 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 2bw1 h GLU 68 CO 0.02 0.52 0.47 0.82 -0.73 0.00 0.00 179.01 180.11 2bw1 h ILE 69 N 0.23 1.08 -0.43 2.32 5.03 -0.68 -1.63 117.51 123.43 2bw1 h ILE 69 Ca 0.08 -0.31 -0.04 0.00 -0.12 0.00 0.00 64.86 64.47 2bw1 h ILE 69 Cb 0.30 0.10 -0.02 0.00 -3.03 0.00 0.00 36.82 34.17 2bw1 h ILE 69 CO 0.00 0.16 0.10 0.44 -0.68 0.00 0.00 178.15 178.18 2bw1 h ASP 70 N 0.90 0.60 -0.44 1.72 3.45 -0.92 -0.58 116.42 121.15 2bw1 h ASP 70 Ca 0.31 -0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.65 2bw1 h ASP 70 Cb 0.05 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 2bw1 h ASP 70 CO -0.13 0.60 0.16 1.23 -1.57 0.00 0.00 179.24 179.54 2bw1 h GLY 71 N 0.86 0.72 1.00 2.75 0.00 -0.35 -1.21 103.07 106.83 2bw1 h GLY 71 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2bw1 h GLY 71 CO -0.00 0.38 0.29 -0.97 0.00 0.00 0.00 176.54 176.24 2bw1 h TYR 72 N 0.57 0.58 -0.80 5.60 0.99 -0.99 0.77 116.97 123.68 2bw1 h TYR 72 Ca 0.14 0.01 0.13 0.00 2.00 0.00 0.00 58.73 61.02 2bw1 h TYR 72 Cb 0.22 -0.19 -0.09 0.00 1.00 0.00 0.00 36.73 37.67 2bw1 h TYR 72 CO 0.01 0.38 0.39 1.25 -0.00 0.00 0.00 178.16 180.18 2bw1 h LEU 73 N 0.61 0.45 0.77 3.88 5.85 -0.94 0.19 115.31 126.12 2bw1 h LEU 73 Ca 0.17 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 2bw1 h LEU 73 Cb -0.05 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.00 2bw1 h LEU 73 CO -0.03 0.20 -0.39 0.44 -0.34 0.00 0.00 178.44 178.32 2bw1 h ASP 74 N 0.57 -0.92 -0.70 1.25 3.32 -0.67 -0.88 116.42 118.38 2bw1 h ASP 74 Ca 0.43 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.55 2bw1 h ASP 74 Cb 0.59 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 2bw1 h ASP 74 CO -0.35 -0.65 0.46 -0.33 -1.72 0.00 0.00 179.24 176.65 2bw1 h GLU 75 N -1.06 0.79 0.09 3.56 4.39 -0.36 -3.00 114.58 118.99 2bw1 h GLU 75 Ca -0.11 -0.05 -0.21 0.00 0.34 0.00 0.00 59.36 59.34 2bw1 h GLU 75 Cb 0.82 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2bw1 h GLU 75 CO 0.16 0.53 -1.03 0.52 -1.16 0.00 0.00 179.01 178.03 2bw1 h MET 76 N 0.82 0.20 -0.35 2.33 2.86 -0.94 -2.75 114.93 117.09 2bw1 h MET 76 Ca 0.29 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2bw1 h MET 76 Cb 0.11 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2bw1 h MET 76 CO -0.08 1.16 0.11 1.03 1.06 0.00 0.00 176.91 180.19 2bw1 h SER 77 N -0.50 0.45 1.04 1.22 0.87 -1.20 -1.78 113.55 113.65 2bw1 h SER 77 Ca -0.22 -0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.21 2bw1 h SER 77 Cb 1.57 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.40 2bw1 h SER 77 CO 0.04 0.44 -1.00 -0.33 -0.53 0.00 0.00 176.83 175.45 2bw1 h GLU 78 N 0.50 0.00 -0.60 2.24 5.08 -1.65 -1.33 114.58 118.82 2bw1 h GLU 78 Ca 0.12 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2bw1 h GLU 78 Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2bw1 h GLU 78 CO -0.01 0.17 0.20 -0.09 -1.00 0.00 0.00 179.01 178.28 2bw1 h ARG 79 N 0.00 0.93 -0.49 2.33 9.65 -1.36 -0.76 114.38 124.68 2bw1 h ARG 79 Ca -0.06 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.61 2bw1 h ARG 79 Cb 1.27 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.69 2bw1 h ARG 79 CO 0.03 0.82 0.24 1.25 2.80 0.00 0.00 179.97 185.11 2bw1 h LEU 80 N 0.85 0.63 -0.59 3.80 5.85 -1.13 0.61 115.31 125.33 2bw1 h LEU 80 Ca 0.20 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2bw1 h LEU 80 Cb 0.27 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2bw1 h LEU 80 CO -0.01 0.56 0.25 0.40 -0.34 0.00 0.00 178.44 179.30 2bw1 h ILE 81 N 0.64 1.22 -0.74 4.05 2.04 -1.24 0.20 117.51 123.69 2bw1 h ILE 81 Ca 0.17 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2bw1 h ILE 81 Cb 0.10 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2bw1 h ILE 81 CO -0.02 0.27 0.41 0.74 0.00 0.00 0.00 178.15 179.55 2bw1 h THR 82 N 0.81 1.22 0.00 -0.27 2.02 -0.19 -0.62 112.91 115.87 2bw1 h THR 82 Ca 0.20 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2bw1 h THR 82 Cb 0.18 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2bw1 h THR 82 CO -0.02 0.24 0.00 0.18 0.37 0.00 0.00 175.52 176.29 2bw1 n LEU 83 N -4.37 0.00 0.00 2.58 4.77 0.12 -4.86 117.00 115.24 2bw1 n LEU 83 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2bw1 n LEU 83 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2bw1 n LEU 83 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2bw1 n GLY 84 N 0.75 0.78 1.00 -0.72 0.00 -0.24 -5.07 105.19 101.69 2bw1 n GLY 84 Ca 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.37 0.65 2.61 -0.02 0.00 0.69 -5.00 105.19 101.75 2bw1 n GLY 85 Ca 0.00 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.91 0.71 0.43 4.61 0.00 -1.26 -4.41 121.76 118.92 2bw1 s ALA 86 Ca 0.17 -0.83 -0.24 0.00 0.00 0.00 0.00 51.96 51.05 2bw1 s ALA 86 Cb -0.01 -1.27 -0.08 0.00 0.00 0.00 0.00 23.12 21.77 2bw1 s ALA 86 CO 0.11 -1.43 1.20 -1.25 0.00 0.00 0.00 175.76 174.40 2bw1 s PRO 87 N 2.03 3.88 0.40 0.00 0.04 -1.26 -4.97 135.00 135.12 2bw1 s PRO 87 Ca 0.05 1.89 -0.25 0.00 0.04 0.00 0.00 61.00 62.73 2bw1 s PRO 87 Cb -0.16 -2.57 -0.11 0.00 0.04 0.00 0.00 34.50 31.70 2bw1 s PRO 87 CO -0.22 -0.48 0.97 1.19 0.04 0.00 0.00 177.00 178.50 2bw1 n PHE 88 N -0.18 1.06 -2.05 0.56 0.99 -1.26 -4.89 117.46 111.69 2bw1 n PHE 88 Ca 0.06 0.59 -0.02 0.00 -0.00 0.00 0.00 57.45 58.08 2bw1 n PHE 88 Cb 0.46 -2.21 -0.02 0.00 -1.00 0.00 0.00 39.48 36.71 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 0.69 -0.19 -4.06 4.37 3.41 -1.26 -4.93 113.62 111.65 2bw1 n SER 89 Ca 0.10 -1.52 -0.11 0.00 -0.26 0.00 0.00 58.87 57.07 2bw1 n SER 89 Cb 0.38 0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.44 0.28 6.66 -4.23 -1.26 -5.05 115.64 112.48 2bw1 s THR 90 Ca 0.03 -1.20 -0.04 0.00 -1.18 0.00 0.00 61.69 59.30 2bw1 s THR 90 Cb 0.04 -0.73 0.25 0.00 1.34 0.00 0.00 72.50 73.39 2bw1 s THR 90 CO -0.02 -0.51 1.93 -0.07 -0.54 0.00 0.00 174.62 175.42 2bw1 h LEU 91 N 4.24 1.02 -0.13 4.79 3.38 -1.99 -1.68 115.31 124.94 2bw1 h LEU 91 Ca -0.35 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.61 2bw1 h LEU 91 Cb 1.20 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 2bw1 h LEU 91 CO 0.45 0.76 -0.10 0.50 0.09 0.00 0.00 178.44 180.15 2bw1 h LYS 92 N 1.19 -0.10 -0.85 1.13 3.64 -1.99 -0.11 116.57 119.48 2bw1 h LYS 92 Ca 0.31 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 2bw1 h LYS 92 Cb -0.09 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 2bw1 h LYS 92 CO -0.06 -0.07 0.56 0.93 -2.27 0.00 0.00 179.45 178.53 2bw1 h GLU 93 N -0.10 1.13 0.38 1.90 5.08 -1.83 -0.82 114.58 120.32 2bw1 h GLU 93 Ca 0.08 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2bw1 h GLU 93 Cb 0.23 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2bw1 h GLU 93 CO -0.20 0.76 -0.18 0.74 -1.00 0.00 0.00 179.01 179.12 2bw1 h PHE 94 N 1.16 -0.47 -0.61 4.33 0.05 -0.99 -1.85 116.94 118.55 2bw1 h PHE 94 Ca 0.31 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 62.08 2bw1 h PHE 94 Cb -0.12 0.16 -0.03 0.00 2.00 0.00 0.00 35.95 37.96 2bw1 h PHE 94 CO -0.01 -0.24 0.35 1.03 -0.18 0.00 0.00 178.31 179.26 2bw1 h SER 95 N -0.61 0.75 0.74 2.17 0.87 -0.83 -0.28 113.55 116.36 2bw1 h SER 95 Ca -0.05 -0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.29 2bw1 h SER 95 Cb 0.45 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2bw1 h SER 95 CO 0.09 0.61 -0.68 -0.33 -0.53 0.00 0.00 176.83 175.98 2bw1 h GLU 96 N 0.82 0.00 0.00 2.24 5.08 -1.20 -3.29 114.58 118.23 2bw1 h GLU 96 Ca 0.22 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2bw1 h GLU 96 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2bw1 h GLU 96 CO -0.04 0.68 -1.12 0.09 -1.00 0.00 0.00 179.01 177.62 2bw1 n ASN 97 N -3.67 0.82 -4.76 1.42 3.02 -0.70 -4.92 115.26 106.48 2bw1 n ASN 97 Ca -0.01 0.32 -0.40 0.00 -0.03 0.00 0.00 54.58 54.46 2bw1 n ASN 97 Cb 0.68 0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 40.27 2bw1 n ASN 97 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2bw1 s SER 98 N -5.40 7.37 0.01 6.41 0.15 -0.13 -4.89 113.70 117.22 2bw1 s SER 98 Ca -0.01 2.16 0.28 0.00 0.70 0.00 0.00 55.95 59.08 2bw1 s SER 98 Cb 0.10 -2.62 1.13 0.00 -1.71 0.00 0.00 66.02 62.92 2bw1 s SER 98 CO 0.80 -0.06 1.86 0.00 1.20 0.00 0.00 173.24 177.04 2bw1 n GLN 99 N 1.23 0.01 -2.64 5.44 1.13 -1.26 -4.86 117.38 116.44 2bw1 n GLN 99 Ca -0.01 0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 54.67 2bw1 n GLN 99 Cb 0.46 -1.51 -0.05 0.00 0.11 0.00 0.00 30.24 29.24 2bw1 n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2bw1 s LEU 100 N -3.08 4.43 -0.13 1.08 1.43 -1.26 -5.06 118.68 116.09 2bw1 s LEU 100 Ca 0.13 2.02 -0.00 0.00 -1.03 0.00 0.00 54.13 55.26 2bw1 s LEU 100 Cb 0.18 -3.84 -0.01 0.00 0.03 0.00 0.00 46.19 42.55 2bw1 s LEU 100 CO 0.55 -0.12 -0.12 -1.59 0.23 0.00 0.00 176.35 175.30 2bw1 s LYS 101 N -1.76 3.39 0.03 1.70 0.00 -1.26 -5.08 119.74 116.76 2bw1 s LYS 101 Ca 0.48 -0.68 -0.00 0.00 0.00 0.00 0.00 55.97 55.77 2bw1 s LYS 101 Cb -0.25 -2.65 -0.04 0.00 0.00 0.00 0.00 37.83 34.89 2bw1 s LYS 101 CO 0.31 0.20 0.17 -1.21 0.00 0.00 0.00 175.35 174.82 2bw1 s GLU 102 N 0.40 3.31 0.31 1.78 2.02 -1.26 -5.11 118.70 120.15 2bw1 s GLU 102 Ca -0.10 -0.45 0.06 0.00 0.02 0.00 0.00 54.97 54.50 2bw1 s GLU 102 Cb -0.16 -2.99 -0.06 0.00 0.10 0.00 0.00 34.13 31.02 2bw1 s GLU 102 CO 0.05 0.63 -0.01 0.14 0.02 0.00 0.00 175.26 176.09 2bw1 s VAL 103 N -1.40 1.51 0.39 2.63 -7.23 -1.26 -5.12 120.40 109.92 2bw1 s VAL 103 Ca 0.30 -2.06 -0.27 0.00 -1.81 0.00 0.00 61.98 58.14 2bw1 s VAL 103 Cb -0.13 -2.64 -0.10 0.00 0.56 0.00 0.00 36.38 34.07 2bw1 s VAL 103 CO 0.23 -0.15 1.39 -0.76 -0.31 0.00 0.00 175.10 175.50 2bw1 s LEU 104 N -3.49 4.28 0.34 1.32 1.43 -1.26 -4.94 118.68 116.36 2bw1 s LEU 104 Ca 0.33 2.86 -0.28 0.00 -1.03 0.00 0.00 54.13 56.01 2bw1 s LEU 104 Cb 0.06 -3.77 -0.12 0.00 0.03 0.00 0.00 46.19 42.39 2bw1 s LEU 104 CO 0.14 -0.86 1.21 0.61 0.23 0.00 0.00 176.35 177.68 2bw1 n GLY 105 N 0.60 0.35 3.11 -3.19 0.00 -1.26 -5.02 105.19 99.78 2bw1 n GLY 105 Ca 0.02 0.30 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.40 0.03 0.28 1.61 2.15 -1.26 -5.03 116.67 114.05 2bw1 s ASP 106 Ca 0.57 0.73 0.24 0.00 0.43 0.00 0.00 52.55 54.52 2bw1 s ASP 106 Cb -0.59 0.87 1.02 0.00 -0.30 0.00 0.00 42.92 43.91 2bw1 s ASP 106 CO 0.61 -0.23 1.72 -1.22 -0.17 0.00 0.00 175.17 175.89 2bw1 n TYR 107 N 5.15 0.86 1.63 -5.34 4.02 -1.26 -3.22 117.16 118.99 2bw1 n TYR 107 Ca -0.10 0.34 0.15 0.00 -0.01 0.00 0.00 57.90 58.28 2bw1 n TYR 107 Cb 0.50 -1.05 0.64 0.00 -0.02 0.00 0.00 39.34 39.41 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 -2.29 1.03 -4.75 7.72 3.02 -1.26 -4.59 115.26 114.14 2bw1 n ASN 108 Ca 0.02 -1.31 -0.41 0.00 -0.03 0.00 0.00 54.58 52.86 2bw1 n ASN 108 Cb 0.22 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.35 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 -2.03 3.64 0.64 2.41 1.01 -1.20 -5.03 120.40 119.85 2bw1 s VAL 109 Ca 0.40 1.52 -0.11 0.00 0.00 0.00 0.00 61.98 63.80 2bw1 s VAL 109 Cb 0.21 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2bw1 s VAL 109 CO 0.36 0.31 1.03 0.42 0.00 0.00 0.00 175.10 177.22 2bw1 s THR 110 N -0.69 4.20 0.17 3.92 -4.23 -1.26 -4.52 115.64 113.23 2bw1 s THR 110 Ca 0.47 0.64 -0.16 0.00 -1.18 0.00 0.00 61.69 61.45 2bw1 s THR 110 Cb -0.31 -3.70 0.12 0.00 1.34 0.00 0.00 72.50 69.95 2bw1 s THR 110 CO 0.38 -0.90 1.66 0.40 -0.54 0.00 0.00 174.62 175.63 2bw1 h ILE 111 N -0.40 0.56 -0.18 2.99 1.08 -1.91 0.16 117.51 119.80 2bw1 h ILE 111 Ca -0.45 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 63.96 2bw1 h ILE 111 Cb 1.22 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 2bw1 h ILE 111 CO 0.63 0.00 -0.18 -0.33 -0.69 0.00 0.00 178.15 177.57 2bw1 h GLU 112 N -0.00 0.31 -0.17 2.37 5.08 -1.93 0.50 114.58 120.73 2bw1 h GLU 112 Ca 0.21 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 2bw1 h GLU 112 Cb 0.32 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2bw1 h GLU 112 CO -0.45 0.49 -0.62 0.93 -1.00 0.00 0.00 179.01 178.36 2bw1 h GLU 113 N 0.29 0.59 0.02 2.33 5.08 -1.74 -1.92 114.58 119.22 2bw1 h GLU 113 Ca 0.05 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2bw1 h GLU 113 Cb 0.49 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2bw1 h GLU 113 CO 0.03 1.03 -0.01 1.96 -1.00 0.00 0.00 179.01 181.02 2bw1 h GLN 114 N 0.44 -0.02 -0.89 2.33 1.08 0.00 -1.14 115.11 116.90 2bw1 h GLN 114 Ca -0.01 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.28 2bw1 h GLN 114 Cb 1.19 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.55 2bw1 h GLN 114 CO 0.12 0.19 0.54 -0.07 -0.95 0.00 0.00 178.83 178.66 2bw1 h LEU 115 N -0.23 0.82 -1.14 1.46 3.38 -0.95 -1.14 115.31 117.51 2bw1 h LEU 115 Ca -0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2bw1 h LEU 115 Cb 0.22 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2bw1 h LEU 115 CO 0.00 0.48 0.50 0.00 0.09 0.00 0.00 178.44 179.52 2bw1 h ALA 116 N 1.46 1.36 -0.64 1.53 0.00 -1.17 -0.10 119.26 121.70 2bw1 h ALA 116 Ca 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2bw1 h ALA 116 Cb 0.32 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2bw1 h ALA 116 CO -0.22 0.56 0.35 -0.09 0.00 0.00 0.00 179.25 179.85 2bw1 h ARG 117 N 1.11 0.90 -0.49 0.00 2.43 -0.13 -1.87 114.38 116.33 2bw1 h ARG 117 Ca 0.29 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2bw1 h ARG 117 Cb -0.07 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.28 2bw1 h ARG 117 CO -0.06 0.68 0.18 0.28 -1.51 0.00 0.00 179.97 179.54 2bw1 h VAL 118 N 0.88 1.22 -0.59 0.20 2.07 -0.61 -2.56 116.25 116.85 2bw1 h VAL 118 Ca 0.23 -0.70 0.10 0.00 0.82 0.00 0.00 66.70 67.14 2bw1 h VAL 118 Cb 0.05 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 2bw1 h VAL 118 CO -0.04 0.26 0.18 0.58 0.02 0.00 0.00 177.57 178.58 2bw1 h VAL 119 N 0.65 0.72 -0.69 2.57 2.07 -0.81 -0.55 116.25 120.22 2bw1 h VAL 119 Ca 0.16 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2bw1 h VAL 119 Cb 0.23 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2bw1 h VAL 119 CO -0.01 0.06 0.44 -0.33 0.02 0.00 0.00 177.57 177.76 2bw1 h GLU 120 N 0.34 0.92 -0.13 1.57 4.39 -1.11 0.19 114.58 120.75 2bw1 h GLU 120 Ca 0.30 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2bw1 h GLU 120 Cb 0.40 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2bw1 h GLU 120 CO -0.34 0.62 0.08 0.28 -1.16 0.00 0.00 179.01 178.50 2bw1 h VAL 121 N 0.93 1.04 -0.84 3.13 2.07 -1.05 -1.26 116.25 120.26 2bw1 h VAL 121 Ca 0.25 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.68 2bw1 h VAL 121 Cb -0.08 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2bw1 h VAL 121 CO -0.05 0.03 0.43 -0.26 0.02 0.00 0.00 177.57 177.74 2bw1 h PHE 122 N 0.17 1.19 -0.85 1.57 -1.00 -0.78 -0.25 116.94 116.99 2bw1 h PHE 122 Ca 0.05 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2bw1 h PHE 122 Cb -0.02 -0.37 -0.04 0.00 3.61 0.00 0.00 35.95 39.13 2bw1 h PHE 122 CO -0.07 0.85 0.53 0.00 -1.61 0.00 0.00 178.31 178.01 2bw1 h ARG 123 N 1.19 1.13 0.07 1.51 3.08 -0.43 -0.25 114.38 120.68 2bw1 h ARG 123 Ca 0.29 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2bw1 h ARG 123 Cb 0.08 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2bw1 h ARG 123 CO -0.04 0.77 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.65 2bw1 h TYR 124 N 1.15 -0.15 -0.83 3.04 3.20 -0.62 -1.98 116.97 120.78 2bw1 h TYR 124 Ca 0.31 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 2bw1 h TYR 124 Cb -0.09 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 2bw1 h TYR 124 CO -0.01 -0.10 0.51 -0.07 -1.64 0.00 0.00 178.16 176.85 2bw1 h LEU 125 N -0.14 0.99 -0.96 2.82 3.38 -0.67 0.91 115.31 121.64 2bw1 h LEU 125 Ca 0.00 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2bw1 h LEU 125 Cb 0.13 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2bw1 h LEU 125 CO -0.01 0.76 0.63 0.00 0.09 0.00 0.00 178.44 179.90 2bw1 h ALA 126 N 1.27 1.22 -0.20 1.53 0.00 -0.99 0.18 119.26 122.28 2bw1 h ALA 126 Ca 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2bw1 h ALA 126 Cb -0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 2bw1 h ALA 126 CO -0.06 0.63 0.05 0.00 0.00 0.00 0.00 179.25 179.87 2bw1 h ALA 127 N 1.34 0.26 -0.72 0.00 0.00 -0.91 -0.90 119.26 118.35 2bw1 h ALA 127 Ca 0.35 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2bw1 h ALA 127 Cb -0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2bw1 h ALA 127 CO -0.07 -0.09 0.46 1.25 0.00 0.00 0.00 179.25 180.80 2bw1 h LEU 128 N 0.14 0.78 -1.16 0.00 5.85 -0.36 -1.48 115.31 119.09 2bw1 h LEU 128 Ca 0.06 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 2bw1 h LEU 128 Cb 0.27 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2bw1 h LEU 128 CO 0.00 0.55 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.26 2bw1 h PHE 129 N 0.93 0.46 -0.56 1.25 0.05 -0.48 -0.08 116.94 118.50 2bw1 h PHE 129 Ca 0.28 -0.07 -0.02 0.00 3.82 0.00 0.00 57.97 61.98 2bw1 h PHE 129 Cb -0.04 -0.12 -0.03 0.00 2.00 0.00 0.00 35.95 37.76 2bw1 h PHE 129 CO -0.03 0.55 0.27 0.37 -0.18 0.00 0.00 178.31 179.29 2bw1 h GLN 130 N 0.40 0.81 -0.55 1.51 5.75 -0.78 0.12 115.11 122.37 2bw1 h GLN 130 Ca 0.07 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2bw1 h GLN 130 Cb 0.48 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 2bw1 h GLN 130 CO 0.03 0.66 0.34 0.87 -2.65 0.00 0.00 178.83 178.08 2bw1 h LYS 131 N 0.76 0.66 -0.73 1.69 6.56 -0.39 0.26 116.57 125.37 2bw1 h LYS 131 Ca 0.19 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.68 2bw1 h LYS 131 Cb 0.12 -0.15 -0.03 0.00 -0.57 0.00 0.00 32.23 31.60 2bw1 h LYS 131 CO -0.02 0.43 0.22 0.78 -2.06 0.00 0.00 179.45 178.80 2bw1 h GLY 132 N 0.68 1.23 0.81 3.86 0.00 -0.82 -1.56 103.07 107.27 2bw1 h GLY 132 Ca 0.21 -0.74 0.01 0.00 0.00 0.00 0.00 47.33 46.81 2bw1 h GLY 132 CO -0.08 0.69 -0.13 -2.75 0.00 0.00 0.00 176.54 174.27 2bw1 h PHE 133 N 1.09 -0.34 0.02 5.60 3.57 -0.22 -1.61 116.94 125.05 2bw1 h PHE 133 Ca 0.24 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.77 2bw1 h PHE 133 Cb 0.32 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 2bw1 h PHE 133 CO 0.03 -0.20 -0.32 -0.44 -2.23 0.00 0.00 178.31 175.14 2bw1 h ASP 134 N -0.28 -0.96 -0.14 0.41 3.32 -0.23 -1.76 116.42 116.79 2bw1 h ASP 134 Ca 0.01 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2bw1 h ASP 134 Cb 0.28 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2bw1 h ASP 134 CO -0.05 -0.39 0.09 0.58 -1.72 0.00 0.00 179.24 177.75 2bw1 h VAL 135 N -0.48 1.03 -0.27 -1.35 2.07 -1.29 -1.64 116.25 114.32 2bw1 h VAL 135 Ca 0.06 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2bw1 h VAL 135 Cb 0.56 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2bw1 h VAL 135 CO -0.25 0.03 -0.00 0.77 0.02 0.00 0.00 177.57 178.14 2bw1 h SER 136 N 0.18 0.37 -0.29 0.57 4.64 -1.26 -1.73 113.55 116.03 2bw1 h SER 136 Ca 0.05 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 2bw1 h SER 136 Cb -0.01 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 2bw1 h SER 136 CO -0.02 0.44 -0.12 -0.78 -0.87 0.00 0.00 176.83 175.48 2bw1 h ASP 137 N 0.39 0.62 -0.93 4.97 3.58 -1.06 0.52 116.42 124.52 2bw1 h ASP 137 Ca 0.09 -0.40 0.05 0.00 0.42 0.00 0.00 57.03 57.19 2bw1 h ASP 137 Cb 0.26 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.08 2bw1 h ASP 137 CO 0.01 0.88 0.60 -0.33 -2.88 0.00 0.00 179.24 177.51 2bw1 h GLU 138 N 0.36 1.09 0.00 0.28 3.07 -0.84 -1.89 114.58 116.65 2bw1 h GLU 138 Ca 0.07 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2bw1 h GLU 138 Cb 0.63 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2bw1 h GLU 138 CO 0.04 0.72 0.00 0.93 -1.40 0.00 0.00 179.01 179.30 2bw1 h GLU 139 N 1.12 0.00 -1.17 2.33 5.08 -1.15 -3.47 114.58 117.32 2bw1 h GLU 139 Ca 0.38 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.57 2bw1 h GLU 139 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2bw1 h GLU 139 CO -0.14 0.00 -0.22 0.41 -1.00 0.00 0.00 179.01 178.06 2bw1 n GLY 140 N 1.19 0.11 3.46 -3.84 0.00 -0.15 -4.96 105.19 100.99 2bw1 n GLY 140 Ca 0.05 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.63 7.03 0.32 1.61 -1.08 -0.01 -4.86 116.67 117.04 2bw1 s ASP 141 Ca 0.00 -2.90 0.05 0.00 -0.52 0.00 0.00 52.55 49.17 2bw1 s ASP 141 Cb 0.00 -2.39 0.54 0.00 -1.46 0.00 0.00 42.92 39.61 2bw1 s ASP 141 CO 0.00 -0.77 1.80 0.77 0.52 0.00 0.00 175.17 177.50 2bw1 h SER 142 N 7.34 0.42 0.14 -0.34 4.64 -1.93 -1.32 113.55 122.51 2bw1 h SER 142 Ca 0.29 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 2bw1 h SER 142 Cb 0.89 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2bw1 h SER 142 CO 1.22 0.61 -0.07 0.58 -0.87 0.00 0.00 176.83 178.30 2bw1 h VAL 143 N 0.40 0.87 -0.64 0.95 2.07 -1.96 -1.92 116.25 116.01 2bw1 h VAL 143 Ca 0.07 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 2bw1 h VAL 143 Cb 0.52 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2bw1 h VAL 143 CO 0.03 0.01 0.16 0.74 0.02 0.00 0.00 177.57 178.53 2bw1 h THR 144 N -0.21 1.25 -0.56 2.57 2.02 -1.90 -2.45 112.91 113.62 2bw1 h THR 144 Ca -0.02 -0.91 0.09 0.00 0.77 0.00 0.00 66.41 66.35 2bw1 h THR 144 Cb 0.16 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 2bw1 h THR 144 CO 0.03 0.34 0.16 -1.13 0.37 0.00 0.00 175.52 175.30 2bw1 h ASN 145 N 0.96 0.10 -0.80 4.18 -0.73 -1.15 -2.32 115.58 115.82 2bw1 h ASN 145 Ca 0.20 0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.44 2bw1 h ASN 145 Cb 0.34 0.10 -0.04 0.00 0.27 0.00 0.00 38.32 38.99 2bw1 h ASN 145 CO -0.00 0.07 0.41 -0.78 -0.37 0.00 0.00 177.43 176.76 2bw1 h ASP 146 N 0.31 1.02 -0.42 1.15 1.82 -0.88 -1.77 116.42 117.66 2bw1 h ASP 146 Ca 0.29 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 2bw1 h ASP 146 Cb 0.38 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.11 2bw1 h ASP 146 CO -0.33 0.84 0.24 0.40 -1.61 0.00 0.00 179.24 178.78 2bw1 h ILE 147 N 1.14 1.15 -0.36 2.25 2.04 -1.15 -1.35 117.51 121.23 2bw1 h ILE 147 Ca 0.28 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 2bw1 h ILE 147 Cb 0.07 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2bw1 h ILE 147 CO -0.04 0.15 -0.24 -0.26 0.00 0.00 0.00 178.15 177.76 2bw1 h PHE 148 N 0.55 0.83 -0.40 1.37 0.05 -1.32 -2.56 116.94 115.46 2bw1 h PHE 148 Ca 0.15 -0.19 -0.03 0.00 3.82 0.00 0.00 57.97 61.72 2bw1 h PHE 148 Cb 0.03 -0.20 -0.02 0.00 2.00 0.00 0.00 35.95 37.77 2bw1 h PHE 148 CO -0.03 0.90 0.13 -0.97 -0.18 0.00 0.00 178.31 178.16 2bw1 h ASN 149 N 0.64 0.58 -0.31 2.17 -1.24 -0.94 -0.93 115.58 115.54 2bw1 h ASN 149 Ca 0.09 -0.20 -0.12 0.00 0.71 0.00 0.00 56.30 56.78 2bw1 h ASN 149 Cb 0.74 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 2bw1 h ASN 149 CO 0.06 0.62 -0.26 0.58 -1.29 0.00 0.00 177.43 177.14 2bw1 h VAL 150 N 0.50 1.29 -0.50 2.57 2.07 -1.22 -1.60 116.25 119.37 2bw1 h VAL 150 Ca 0.13 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 2bw1 h VAL 150 Cb 0.24 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2bw1 h VAL 150 CO -0.01 0.46 0.24 0.00 0.02 0.00 0.00 177.57 178.28 2bw1 h ALA 151 N 0.73 0.64 -0.35 1.67 0.00 -1.40 -2.65 119.26 117.90 2bw1 h ALA 151 Ca 0.06 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2bw1 h ALA 151 Cb 0.82 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2bw1 h ALA 151 CO 0.07 0.20 0.21 -0.22 0.00 0.00 0.00 179.25 179.51 2bw1 h LYS 152 N 0.66 0.43 -0.57 0.00 3.64 -1.00 -1.95 116.57 117.78 2bw1 h LYS 152 Ca 0.17 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 2bw1 h LYS 152 Cb 0.12 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 2bw1 h LYS 152 CO -0.02 0.28 0.26 0.00 -2.27 0.00 0.00 179.45 177.70 2bw1 h ALA 153 N 1.14 0.73 -0.19 5.00 0.00 -1.12 -1.03 119.26 123.81 2bw1 h ALA 153 Ca 0.13 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2bw1 h ALA 153 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2bw1 h ALA 153 CO -0.05 -0.11 -0.42 1.03 0.00 0.00 0.00 179.25 179.70 2bw1 h SER 154 N 0.49 0.69 -0.63 0.00 0.87 -1.22 -2.63 113.55 111.13 2bw1 h SER 154 Ca 0.27 -0.56 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2bw1 h SER 154 Cb 0.23 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2bw1 h SER 154 CO -0.22 1.13 0.38 0.40 -0.53 0.00 0.00 176.83 177.99 2bw1 h ILE 155 N 0.29 1.18 -0.42 2.23 1.08 -1.16 -2.16 117.51 118.55 2bw1 h ILE 155 Ca -0.00 -0.41 -0.12 0.00 -0.39 0.00 0.00 64.86 63.94 2bw1 h ILE 155 Cb 1.03 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 2bw1 h ILE 155 CO 0.09 0.19 -0.22 -0.33 -0.69 0.00 0.00 178.15 177.20 2bw1 h GLU 156 N 0.88 0.85 -0.85 2.37 5.08 -1.11 -1.48 114.58 120.31 2bw1 h GLU 156 Ca 0.23 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2bw1 h GLU 156 Cb -0.03 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2bw1 h GLU 156 CO -0.04 0.98 0.55 -0.22 -1.00 0.00 0.00 179.01 179.29 2bw1 h LYS 157 N 0.74 1.13 -0.28 2.33 3.64 -1.09 -2.13 116.57 120.92 2bw1 h LYS 157 Ca 0.10 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 2bw1 h LYS 157 Cb 0.75 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2bw1 h LYS 157 CO 0.06 0.76 -0.13 0.45 -2.27 0.00 0.00 179.45 178.32 2bw1 h HIS 158 N 1.16 0.50 -0.52 1.91 3.86 -1.02 -2.10 115.15 118.95 2bw1 h HIS 158 Ca 0.31 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 2bw1 h HIS 158 Cb -0.11 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 2bw1 h HIS 158 CO -0.01 0.59 0.24 0.82 0.86 0.00 0.00 177.93 180.43 2bw1 h ILE 159 N 0.44 1.20 0.09 2.45 2.04 -0.64 -0.43 117.51 122.65 2bw1 h ILE 159 Ca 0.08 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.39 2bw1 h ILE 159 Cb 0.49 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2bw1 h ILE 159 CO 0.03 0.23 -0.29 -0.25 0.00 0.00 0.00 178.15 177.86 2bw1 h TRP 160 N 0.69 -0.79 -0.39 1.37 7.01 -0.98 -0.24 115.95 122.62 2bw1 h TRP 160 Ca 0.18 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.23 2bw1 h TRP 160 Cb 0.13 0.34 -0.03 0.00 -2.10 0.00 0.00 29.16 27.50 2bw1 h TRP 160 CO -0.00 -0.40 0.20 0.52 -2.79 0.00 0.00 178.44 175.97 2bw1 h MET 161 N -0.49 0.39 -0.35 2.65 2.86 -1.11 0.20 114.93 119.08 2bw1 h MET 161 Ca 0.04 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2bw1 h MET 161 Cb 0.54 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2bw1 h MET 161 CO -0.19 0.26 0.13 -0.07 1.06 0.00 0.00 176.91 178.10 2bw1 h LEU 162 N 0.40 0.49 -0.89 1.22 3.38 -0.99 0.69 115.31 119.61 2bw1 h LEU 162 Ca 0.17 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2bw1 h LEU 162 Cb 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2bw1 h LEU 162 CO -0.12 0.53 0.21 1.56 0.09 0.00 0.00 178.44 180.71 2bw1 h GLN 163 N 0.41 1.02 -0.46 1.13 1.08 -0.83 -1.71 115.11 115.75 2bw1 h GLN 163 Ca 0.12 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 2bw1 h GLN 163 Cb 0.20 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2bw1 h GLN 163 CO -0.01 0.87 0.27 0.00 -0.95 0.00 0.00 178.83 179.01 2bw1 h ALA 164 N 1.24 0.59 -0.92 3.87 0.00 -0.13 0.14 119.26 124.05 2bw1 h ALA 164 Ca 0.22 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.20 2bw1 h ALA 164 Cb 0.28 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 2bw1 h ALA 164 CO -0.01 0.10 0.59 1.49 0.00 0.00 0.00 179.25 181.42 2bw1 h GLU 165 N 0.61 0.71 -0.26 0.00 4.57 -0.52 -1.50 114.58 118.19 2bw1 h GLU 165 Ca 0.16 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2bw1 h GLU 165 Cb 0.02 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2bw1 h GLU 165 CO -0.03 0.47 0.00 1.28 -1.18 0.00 0.00 179.01 179.55 2bw1 n LEU 166 N -4.59 1.12 -1.58 1.64 4.77 -0.39 -4.88 117.00 113.08 2bw1 n LEU 166 Ca 0.18 -0.56 -0.15 0.00 -0.03 0.00 0.00 56.01 55.46 2bw1 n LEU 166 Cb 0.47 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2bw1 n LEU 166 CO 0.28 0.26 -0.18 0.61 -1.33 0.00 0.00 177.39 177.03 2bw1 n GLY 167 N 0.72 0.07 3.26 -0.72 0.00 -0.56 -5.01 105.19 102.95 2bw1 n GLY 167 Ca 0.06 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.47 1.08 0.83 1.61 -0.21 0.35 -5.01 119.66 113.84 2bw1 s GLN 168 Ca 0.00 -1.21 -0.11 0.00 0.02 0.00 0.00 55.36 54.06 2bw1 s GLN 168 Cb 0.00 -1.13 0.10 0.00 1.00 0.00 0.00 33.01 32.98 2bw1 s GLN 168 CO 0.00 0.24 1.14 0.00 -2.12 0.00 0.00 175.29 174.55 2bw1 s ALA 169 N -1.70 1.85 0.39 6.09 0.00 -1.26 -3.20 121.76 123.93 2bw1 s ALA 169 Ca 0.08 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.66 2bw1 s ALA 169 Cb -0.07 -3.40 0.78 0.00 0.00 0.00 0.00 23.12 20.42 2bw1 s ALA 169 CO 0.04 -2.26 2.01 -1.35 0.00 0.00 0.00 175.76 174.20 2bw1 h PRO 170 N -1.30 0.58 -6.57 0.00 0.11 -1.87 -3.46 132.00 119.49 2bw1 h PRO 170 Ca -0.44 -0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.10 2bw1 h PRO 170 Cb 1.26 -0.12 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 2bw1 h PRO 170 CO 0.46 0.42 -0.86 1.63 -0.21 0.00 0.00 178.00 179.45 2bw1 n LYS 171 N -4.43 -3.39 0.00 1.05 5.02 -1.26 -4.84 118.16 110.30 2bw1 n LYS 171 Ca 0.03 0.40 0.01 0.00 -2.02 0.00 0.00 58.31 56.73 2bw1 n LYS 171 Cb 0.09 -4.78 0.03 0.00 -0.02 0.00 0.00 35.03 30.36 2bw1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16