#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 0.45 -0.00 -1.18 0.00 -2.00 -0.42 119.26 116.10 2bw1 h ALA 23 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2bw1 h ALA 23 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2bw1 h ALA 23 CO 0.00 0.16 -0.78 -0.44 0.00 0.00 0.00 179.25 178.19 2bw1 h ASP 24 N 0.39 0.08 0.01 0.00 3.32 -1.98 0.14 116.42 118.38 2bw1 h ASP 24 Ca 0.10 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2bw1 h ASP 24 Cb 0.37 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2bw1 h ASP 24 CO 0.01 0.83 -0.06 0.28 -1.72 0.00 0.00 179.24 178.58 2bw1 h SER 25 N 0.04 -0.17 -0.83 6.45 0.02 -1.81 0.11 113.55 117.35 2bw1 h SER 25 Ca -0.02 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bw1 h SER 25 Cb 1.38 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.95 2bw1 h SER 25 CO 0.11 -0.09 0.50 0.11 -1.14 0.00 0.00 176.83 176.32 2bw1 h LYS 26 N -0.11 1.13 -0.29 3.45 1.57 -0.96 -1.93 116.57 119.44 2bw1 h LYS 26 Ca 0.02 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2bw1 h LYS 26 Cb 0.14 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2bw1 h LYS 26 CO -0.06 0.79 0.17 0.00 -0.57 0.00 0.00 179.45 179.78 2bw1 h ALA 27 N 1.27 0.36 -0.09 3.86 0.00 -0.40 -1.84 119.26 122.41 2bw1 h ALA 27 Ca 0.30 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 2bw1 h ALA 27 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2bw1 h ALA 27 CO -0.06 -0.21 -0.67 -0.24 0.00 0.00 0.00 179.25 178.08 2bw1 h VAL 28 N 0.34 1.37 -0.42 0.00 3.04 -0.81 -0.23 116.25 119.55 2bw1 h VAL 28 Ca 0.11 -2.05 0.03 0.00 -1.01 0.00 0.00 66.70 63.78 2bw1 h VAL 28 Cb 0.00 2.03 -0.03 0.00 -2.01 0.00 0.00 31.29 31.28 2bw1 h VAL 28 CO -0.06 0.62 0.22 -0.07 -1.01 0.00 0.00 177.57 177.27 2bw1 h LEU 29 N 0.27 0.33 -0.76 3.16 3.38 -1.24 -0.63 115.31 119.81 2bw1 h LEU 29 Ca -0.02 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2bw1 h LEU 29 Cb 1.22 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2bw1 h LEU 29 CO 0.11 0.23 -0.09 -1.13 0.09 0.00 0.00 178.44 177.66 2bw1 h ASN 30 N 0.44 0.83 -0.84 -0.43 -1.24 -1.07 -1.10 115.58 112.17 2bw1 h ASN 30 Ca 0.18 -0.25 0.04 0.00 0.71 0.00 0.00 56.30 56.98 2bw1 h ASN 30 Cb 0.07 -0.23 -0.05 0.00 0.73 0.00 0.00 38.32 38.84 2bw1 h ASN 30 CO -0.11 0.95 0.54 -0.61 -1.29 0.00 0.00 177.43 176.90 2bw1 h GLN 31 N 0.77 1.00 -0.63 6.67 5.75 -0.72 -2.18 115.11 125.76 2bw1 h GLN 31 Ca 0.13 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 2bw1 h GLN 31 Cb 0.59 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 2bw1 h GLN 31 CO 0.04 0.66 0.26 0.00 -2.65 0.00 0.00 178.83 177.14 2bw1 h ALA 32 N 1.36 0.82 -0.28 3.38 0.00 -0.42 0.31 119.26 124.43 2bw1 h ALA 32 Ca 0.35 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2bw1 h ALA 32 Cb 0.05 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 2bw1 h ALA 32 CO -0.13 0.42 -0.22 0.28 0.00 0.00 0.00 179.25 179.60 2bw1 h VAL 33 N 0.88 0.41 -0.19 0.00 2.07 -0.83 0.60 116.25 119.18 2bw1 h VAL 33 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 2bw1 h VAL 33 Cb 0.19 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2bw1 h VAL 33 CO -0.02 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.69 2bw1 h ALA 34 N 0.89 0.25 -0.48 1.67 0.00 -0.90 -1.85 119.26 118.84 2bw1 h ALA 34 Ca 0.15 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2bw1 h ALA 34 Cb 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2bw1 h ALA 34 CO -0.40 -0.25 -0.16 -0.44 0.00 0.00 0.00 179.25 178.00 2bw1 h ASP 35 N 0.23 0.94 -0.21 0.00 3.32 -0.52 -2.09 116.42 118.09 2bw1 h ASP 35 Ca 0.07 -0.32 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 2bw1 h ASP 35 Cb 0.02 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2bw1 h ASP 35 CO -0.01 1.09 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.32 2bw1 h LEU 36 N 0.82 0.66 -0.56 1.55 3.38 0.19 0.13 115.31 121.46 2bw1 h LEU 36 Ca 0.12 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2bw1 h LEU 36 Cb 0.71 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2bw1 h LEU 36 CO 0.05 0.86 0.22 0.28 0.09 0.00 0.00 178.44 179.94 2bw1 h SER 37 N 0.58 0.79 -0.10 -0.43 0.02 -1.02 -0.48 113.55 112.91 2bw1 h SER 37 Ca 0.09 -0.18 -0.19 0.00 -0.84 0.00 0.00 61.79 60.67 2bw1 h SER 37 Cb 0.67 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.01 2bw1 h SER 37 CO 0.05 0.75 -0.70 0.58 -1.14 0.00 0.00 176.83 176.37 2bw1 h VAL 38 N 0.78 1.32 -0.79 2.27 2.07 -1.24 -2.65 116.25 118.01 2bw1 h VAL 38 Ca 0.19 -1.97 0.12 0.00 0.82 0.00 0.00 66.70 65.86 2bw1 h VAL 38 Cb 0.22 2.17 -0.08 0.00 -1.52 0.00 0.00 31.29 32.08 2bw1 h VAL 38 CO -0.01 0.61 0.39 0.00 0.02 0.00 0.00 177.57 178.57 2bw1 h ALA 39 N 0.48 1.13 -0.24 1.67 0.00 -0.66 -0.22 119.26 121.42 2bw1 h ALA 39 Ca -0.06 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2bw1 h ALA 39 Cb 1.34 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2bw1 h ALA 39 CO 0.14 -0.08 0.09 1.25 0.00 0.00 0.00 179.25 180.65 2bw1 h HIS 40 N 0.60 0.16 -0.48 0.00 6.17 -0.99 0.11 115.15 120.72 2bw1 h HIS 40 Ca 0.41 0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.55 2bw1 h HIS 40 Cb 0.53 -0.04 -0.04 0.00 2.52 0.00 0.00 27.41 30.38 2bw1 h HIS 40 CO -0.11 0.08 0.23 1.03 0.71 0.00 0.00 177.93 179.87 2bw1 h SER 41 N 0.20 0.33 -0.34 3.26 0.87 -0.99 -1.26 113.55 115.62 2bw1 h SER 41 Ca 0.10 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2bw1 h SER 41 Cb 0.06 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2bw1 h SER 41 CO -0.10 0.23 0.13 0.40 -0.53 0.00 0.00 176.83 176.96 2bw1 h ILE 42 N 0.46 1.19 -0.83 2.23 2.04 -0.82 -0.62 117.51 121.17 2bw1 h ILE 42 Ca 0.21 -0.60 0.07 0.00 1.00 0.00 0.00 64.86 65.55 2bw1 h ILE 42 Cb 0.13 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2bw1 h ILE 42 CO -0.16 0.21 0.50 -0.07 0.00 0.00 0.00 178.15 178.63 2bw1 h LEU 43 N 0.40 0.76 -1.08 1.44 3.38 -0.80 -1.22 115.31 118.19 2bw1 h LEU 43 Ca 0.11 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2bw1 h LEU 43 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2bw1 h LEU 43 CO -0.01 0.47 -0.01 -0.74 0.09 0.00 0.00 178.44 178.25 2bw1 h HIS 44 N 0.89 0.67 -0.26 1.13 2.76 -0.96 0.29 115.15 119.67 2bw1 h HIS 44 Ca 0.37 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.44 2bw1 h HIS 44 Cb 0.22 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 2bw1 h HIS 44 CO -0.04 0.65 0.09 0.37 -1.30 0.00 0.00 177.93 177.69 2bw1 h GLN 45 N 0.61 0.41 -0.44 5.26 4.15 -0.46 -1.36 115.11 123.26 2bw1 h GLN 45 Ca 0.12 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.47 2bw1 h GLN 45 Cb 0.39 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 2bw1 h GLN 45 CO 0.02 0.47 0.28 0.28 -1.93 0.00 0.00 178.83 177.94 2bw1 h VAL 46 N 0.26 1.08 -0.37 2.39 2.07 -0.90 -0.60 116.25 120.19 2bw1 h VAL 46 Ca 0.09 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.49 2bw1 h VAL 46 Cb 0.23 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 2bw1 h VAL 46 CO -0.00 0.10 -0.13 -0.74 0.02 0.00 0.00 177.57 176.82 2bw1 h HIS 47 N 0.57 -0.29 -0.10 1.57 -0.00 -0.81 -1.86 115.15 114.23 2bw1 h HIS 47 Ca 0.17 0.04 -0.23 0.00 -0.00 0.00 0.00 60.37 60.34 2bw1 h HIS 47 Cb -0.03 0.18 0.01 0.00 -0.00 0.00 0.00 27.41 27.57 2bw1 h HIS 47 CO -0.06 -0.20 -0.86 -1.49 -0.00 0.00 0.00 177.93 175.33 2bw1 h TRP 48 N -0.05 1.01 -0.02 5.26 6.55 -0.89 -3.34 115.95 124.48 2bw1 h TRP 48 Ca 0.18 -0.48 0.00 0.00 0.95 0.00 0.00 58.89 59.54 2bw1 h TRP 48 Cb 0.32 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.48 2bw1 h TRP 48 CO -0.36 1.31 -0.20 0.66 -1.05 0.00 0.00 178.44 178.80 2bw1 n TYR 49 N -3.90 0.00 -1.67 0.49 4.02 -0.27 -4.96 117.16 110.87 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 0.79 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 40.05 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 0.47 2.22 -3.93 -0.72 1.56 -0.71 -4.39 117.12 111.62 2bw1 n MET 50 Ca 0.13 0.80 -0.11 0.00 -0.27 0.00 0.00 57.70 58.25 2bw1 n MET 50 Cb 0.49 -2.59 -0.13 0.00 2.15 0.00 0.00 33.22 33.15 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 1.43 0.16 0.00 2.12 0.52 -1.26 -5.04 118.95 116.88 2bw1 s ARG 51 Ca 0.81 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 2bw1 s ARG 51 Cb -0.66 0.04 0.00 0.00 0.52 0.00 0.00 34.95 34.85 2bw1 s ARG 51 CO 0.39 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 176.10 2bw1 n GLY 52 N 2.34 2.76 3.72 -3.53 0.00 -1.26 -3.55 105.19 105.67 2bw1 n GLY 52 Ca -0.18 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 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 -2.06 4.14 0.00 1.61 1.81 -1.26 -1.64 118.95 121.55 2bw1 s ARG 53 Ca 0.00 2.56 0.00 0.00 -1.72 0.00 0.00 55.73 56.57 2bw1 s ARG 53 Cb 0.00 -3.08 0.00 0.00 -0.45 0.00 0.00 34.95 31.42 2bw1 s ARG 53 CO 0.00 -0.72 0.00 0.41 -0.68 0.00 0.00 175.30 174.31 2bw1 n GLY 54 N 3.75 0.44 0.24 -3.53 0.00 -1.26 -4.92 105.19 99.91 2bw1 n GLY 54 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.25 0.00 1.61 3.57 -1.68 0.29 116.94 120.48 2bw1 h PHE 55 Ca 0.00 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2bw1 h PHE 55 Cb 0.00 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 2bw1 h PHE 55 CO 0.00 -0.25 -0.03 1.98 -2.23 0.00 0.00 178.31 177.78 2bw1 h MET 56 N 0.03 0.00 0.04 1.11 4.05 -1.94 0.59 114.93 118.81 2bw1 h MET 56 Ca 0.32 0.00 -0.38 0.00 -0.28 0.00 0.00 59.70 59.36 2bw1 h MET 56 Cb 0.50 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.25 2bw1 h MET 56 CO -0.63 0.03 -2.26 1.51 0.23 0.00 0.00 176.91 175.79 2bw1 n ILE 57 N -3.24 1.59 0.09 1.77 3.06 -0.61 -4.49 119.36 117.54 2bw1 n ILE 57 Ca -0.01 -0.55 -0.04 0.00 -2.50 0.00 0.00 62.75 59.65 2bw1 n ILE 57 Cb 0.20 -1.61 -0.00 0.00 0.54 0.00 0.00 39.64 38.78 2bw1 n ILE 57 CO 0.00 0.00 0.00 -0.50 -2.50 0.00 0.00 176.55 173.55 2bw1 h TRP 58 N -0.14 0.00 0.65 9.51 4.06 -0.63 -2.86 115.95 126.55 2bw1 h TRP 58 Ca -0.53 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.39 2bw1 h TRP 58 Cb 1.88 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 30.04 2bw1 h TRP 58 CO 0.04 0.82 -0.38 1.25 -3.56 0.00 0.00 178.44 176.61 2bw1 h HIS 59 N 0.00 -1.01 0.00 0.49 2.76 -1.11 -2.03 115.15 114.25 2bw1 h HIS 59 Ca -0.01 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 2bw1 h HIS 59 Cb 1.50 0.36 -0.01 0.00 1.55 0.00 0.00 27.41 30.81 2bw1 h HIS 59 CO 0.00 -0.59 -0.17 -1.00 -1.30 0.00 0.00 177.93 174.87 2bw1 h PRO 60 N -0.97 0.00 -0.54 5.26 0.13 -1.79 -2.59 132.00 131.51 2bw1 h PRO 60 Ca -0.08 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2bw1 h PRO 60 Cb 0.78 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 2bw1 h PRO 60 CO 0.09 0.17 0.36 -0.22 -0.23 0.00 0.00 178.00 178.18 2bw1 h LYS 61 N 0.00 0.71 -0.52 0.86 1.63 -1.22 -0.93 116.57 117.10 2bw1 h LYS 61 Ca -0.00 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 2bw1 h LYS 61 Cb 0.37 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 2bw1 h LYS 61 CO 0.02 0.47 0.18 0.52 -3.45 0.00 0.00 179.45 177.20 2bw1 h MET 62 N 0.73 0.76 -0.50 1.90 2.86 -0.96 -0.36 114.93 119.37 2bw1 h MET 62 Ca 0.20 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2bw1 h MET 62 Cb -0.08 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 2bw1 h MET 62 CO -0.04 0.65 0.33 -0.44 1.06 0.00 0.00 176.91 178.46 2bw1 h ASP 63 N 0.75 0.57 -0.22 1.22 3.32 -1.21 0.17 116.42 121.02 2bw1 h ASP 63 Ca 0.18 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.23 2bw1 h ASP 63 Cb 0.19 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2bw1 h ASP 63 CO -0.01 0.41 0.09 -0.33 -1.72 0.00 0.00 179.24 177.68 2bw1 h GLU 64 N 0.67 0.20 -0.69 3.56 5.08 -0.93 -1.02 114.58 121.45 2bw1 h GLU 64 Ca 0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2bw1 h GLU 64 Cb -0.08 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 2bw1 h GLU 64 CO -0.04 0.13 0.45 1.88 -1.00 0.00 0.00 179.01 180.43 2bw1 h TYR 65 N 0.20 0.88 -0.71 4.33 0.99 -0.88 -2.23 116.97 119.56 2bw1 h TYR 65 Ca 0.09 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 2bw1 h TYR 65 Cb 0.05 -0.30 -0.03 0.00 1.00 0.00 0.00 36.73 37.45 2bw1 h TYR 65 CO -0.11 0.57 0.44 0.52 -0.00 0.00 0.00 178.16 179.58 2bw1 h MET 66 N 0.94 0.96 -0.77 4.88 2.86 -0.36 -0.64 114.93 122.80 2bw1 h MET 66 Ca 0.25 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.77 2bw1 h MET 66 Cb -0.08 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.34 2bw1 h MET 66 CO -0.05 0.68 0.34 1.49 1.06 0.00 0.00 176.91 180.42 2bw1 h GLU 67 N 0.97 1.13 -0.36 1.72 4.81 -1.02 -1.01 114.58 120.83 2bw1 h GLU 67 Ca 0.26 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2bw1 h GLU 67 Cb -0.05 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 2bw1 h GLU 67 CO -0.05 0.89 -0.06 1.49 -0.73 0.00 0.00 179.01 180.55 2bw1 h GLU 68 N 1.11 0.67 -0.59 1.92 4.81 -0.86 -1.00 114.58 120.64 2bw1 h GLU 68 Ca 0.26 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2bw1 h GLU 68 Cb 0.16 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2bw1 h GLU 68 CO -0.03 0.82 0.37 0.82 -0.73 0.00 0.00 179.01 180.26 2bw1 h ILE 69 N 0.47 1.17 -0.51 2.32 1.08 -0.93 -0.83 117.51 120.28 2bw1 h ILE 69 Ca 0.09 -0.37 -0.00 0.00 -0.39 0.00 0.00 64.86 64.19 2bw1 h ILE 69 Cb 0.56 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 2bw1 h ILE 69 CO 0.03 0.17 0.32 0.44 -0.69 0.00 0.00 178.15 178.42 2bw1 h ASP 70 N 0.80 0.61 -0.29 1.72 3.45 -1.02 -0.48 116.42 121.21 2bw1 h ASP 70 Ca 0.21 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.64 2bw1 h ASP 70 Cb -0.03 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.57 2bw1 h ASP 70 CO -0.04 0.46 0.14 1.23 -1.57 0.00 0.00 179.24 179.46 2bw1 h GLY 71 N 0.74 0.46 1.01 2.75 0.00 0.21 -1.34 103.07 106.89 2bw1 h GLY 71 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2bw1 h GLY 71 CO -0.04 0.22 0.32 -0.97 0.00 0.00 0.00 176.54 176.07 2bw1 h TYR 72 N 0.34 0.99 -0.84 5.60 0.05 -0.93 0.63 116.97 122.81 2bw1 h TYR 72 Ca 0.10 -0.05 0.09 0.00 0.05 0.00 0.00 58.73 58.92 2bw1 h TYR 72 Cb 0.13 -0.31 -0.07 0.00 1.01 0.00 0.00 36.73 37.49 2bw1 h TYR 72 CO -0.02 0.75 0.48 1.25 -1.05 0.00 0.00 178.16 179.57 2bw1 h LEU 73 N 0.95 0.70 0.67 3.88 5.85 -0.93 0.28 115.31 126.71 2bw1 h LEU 73 Ca 0.23 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 2bw1 h LEU 73 Cb 0.14 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2bw1 h LEU 73 CO -0.03 0.40 -0.50 0.44 -0.34 0.00 0.00 178.44 178.41 2bw1 h ASP 74 N 0.81 -1.31 -0.81 1.25 3.32 -0.74 -1.19 116.42 117.75 2bw1 h ASP 74 Ca 0.40 0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.63 2bw1 h ASP 74 Cb 0.36 0.40 -0.07 0.00 0.22 0.00 0.00 39.33 40.24 2bw1 h ASP 74 CO -0.24 -0.72 0.46 -0.33 -1.72 0.00 0.00 179.24 176.69 2bw1 h GLU 75 N -1.12 0.76 0.08 3.56 5.08 -0.39 -2.84 114.58 119.70 2bw1 h GLU 75 Ca -0.09 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 57.98 2bw1 h GLU 75 Cb 0.93 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2bw1 h GLU 75 CO 0.03 0.50 -1.12 0.52 -1.00 0.00 0.00 179.01 177.95 2bw1 h MET 76 N 0.78 0.21 -0.22 2.33 2.86 -0.93 -2.00 114.93 117.96 2bw1 h MET 76 Ca 0.39 -0.32 -0.15 0.00 -2.06 0.00 0.00 59.70 57.56 2bw1 h MET 76 Cb 0.35 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2bw1 h MET 76 CO -0.24 1.13 -0.43 0.66 1.06 0.00 0.00 176.91 179.09 2bw1 h SER 77 N 0.07 0.77 0.94 1.22 4.64 -1.17 -1.42 113.55 118.60 2bw1 h SER 77 Ca -0.09 -0.54 -0.21 0.00 -0.47 0.00 0.00 61.79 60.47 2bw1 h SER 77 Cb 1.84 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.68 2bw1 h SER 77 CO 0.18 1.16 -1.01 -0.33 -0.87 0.00 0.00 176.83 175.96 2bw1 h GLU 78 N 0.40 0.03 -0.56 4.77 5.08 -1.59 0.17 114.58 122.88 2bw1 h GLU 78 Ca 0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2bw1 h GLU 78 Cb 1.03 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 2bw1 h GLU 78 CO 0.10 1.01 0.31 -0.09 -1.00 0.00 0.00 179.01 179.33 2bw1 h ARG 79 N 0.01 0.78 -0.39 2.33 9.65 -1.30 0.11 114.38 125.58 2bw1 h ARG 79 Ca -0.02 -0.09 0.06 0.00 -1.10 0.00 0.00 59.98 58.83 2bw1 h ARG 79 Cb 1.76 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 30.13 2bw1 h ARG 79 CO 0.14 0.60 0.07 1.25 2.80 0.00 0.00 179.97 184.83 2bw1 h LEU 80 N 0.76 0.00 -0.55 3.80 5.85 -0.99 0.10 115.31 124.28 2bw1 h LEU 80 Ca 0.20 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.02 2bw1 h LEU 80 Cb 0.04 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2bw1 h LEU 80 CO -0.03 0.04 0.32 0.40 -0.34 0.00 0.00 178.44 178.82 2bw1 h ILE 81 N 0.20 1.02 -0.54 4.05 2.04 -0.63 -0.87 117.51 122.78 2bw1 h ILE 81 Ca 0.19 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2bw1 h ILE 81 Cb 0.22 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2bw1 h ILE 81 CO -0.25 0.11 0.21 0.74 0.00 0.00 0.00 178.15 178.96 2bw1 h THR 82 N 0.62 1.20 0.00 -0.27 2.02 -0.20 -1.08 112.91 115.20 2bw1 h THR 82 Ca 0.23 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2bw1 h THR 82 Cb 0.07 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2bw1 h THR 82 CO -0.12 0.25 0.00 0.18 0.37 0.00 0.00 175.52 176.20 2bw1 n LEU 83 N -4.33 0.00 0.00 2.58 4.77 0.31 -4.88 117.00 115.46 2bw1 n LEU 83 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2bw1 n LEU 83 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 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 0.53 0.59 0.89 -0.72 0.00 -0.41 -5.06 105.19 101.01 2bw1 n GLY 84 Ca 0.10 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.72 1.14 2.63 -0.02 0.00 -0.37 -5.01 105.19 100.84 2bw1 n GLY 85 Ca 0.00 -2.03 -0.29 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 -2.62 0.87 0.54 4.61 0.00 -1.26 -4.41 121.76 119.48 2bw1 s ALA 86 Ca 0.15 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 2bw1 s ALA 86 Cb -0.01 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.69 2bw1 s ALA 86 CO 0.10 -1.50 1.12 -1.25 0.00 0.00 0.00 175.76 174.22 2bw1 s PRO 87 N 1.95 3.41 0.36 0.00 0.04 -1.26 -4.97 135.00 134.52 2bw1 s PRO 87 Ca 0.06 1.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 2bw1 s PRO 87 Cb -0.16 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 2bw1 s PRO 87 CO -0.25 -0.80 1.11 1.19 0.04 0.00 0.00 177.00 178.28 2bw1 n PHE 88 N -1.26 1.58 -2.09 0.56 0.99 -1.26 -4.90 117.46 111.08 2bw1 n PHE 88 Ca 0.11 0.60 -0.04 0.00 -0.00 0.00 0.00 57.45 58.12 2bw1 n PHE 88 Cb 0.51 -2.30 -0.04 0.00 -1.00 0.00 0.00 39.48 36.65 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 0.77 -0.49 -3.88 4.37 3.41 -1.26 -4.95 113.62 111.60 2bw1 n SER 89 Ca 0.08 -1.89 -0.11 0.00 -0.26 0.00 0.00 58.87 56.69 2bw1 n SER 89 Cb 0.36 0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.08 0.46 6.66 -4.23 -1.26 -5.05 115.64 112.30 2bw1 s THR 90 Ca 0.06 -0.62 0.12 0.00 -1.18 0.00 0.00 61.69 60.07 2bw1 s THR 90 Cb 0.07 -0.39 0.26 0.00 1.34 0.00 0.00 72.50 73.78 2bw1 s THR 90 CO -0.03 -0.34 2.10 -0.07 -0.54 0.00 0.00 174.62 175.73 2bw1 h LEU 91 N 4.52 0.21 -0.17 4.79 3.38 -2.00 -2.11 115.31 123.94 2bw1 h LEU 91 Ca -0.30 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2bw1 h LEU 91 Cb 1.20 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2bw1 h LEU 91 CO 0.41 0.17 0.10 0.50 0.09 0.00 0.00 178.44 179.71 2bw1 h LYS 92 N 0.25 0.23 -0.41 1.13 3.64 -1.99 -0.96 116.57 118.46 2bw1 h LYS 92 Ca 0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2bw1 h LYS 92 Cb -0.00 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2bw1 h LYS 92 CO -0.01 0.19 0.22 0.93 -2.27 0.00 0.00 179.45 178.52 2bw1 h GLU 93 N 0.19 0.56 0.18 1.90 5.08 -1.82 -0.42 114.58 120.26 2bw1 h GLU 93 Ca 0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bw1 h GLU 93 Cb 0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2bw1 h GLU 93 CO -0.01 0.45 -0.17 0.74 -1.00 0.00 0.00 179.01 179.02 2bw1 h PHE 94 N 0.52 -0.44 -0.40 4.33 0.05 -1.31 -0.59 116.94 119.10 2bw1 h PHE 94 Ca 0.14 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.91 2bw1 h PHE 94 Cb 0.05 0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.15 2bw1 h PHE 94 CO -0.03 -0.26 0.17 1.03 -0.18 0.00 0.00 178.31 179.05 2bw1 h SER 95 N -0.38 0.55 0.42 2.17 0.87 -1.10 0.29 113.55 116.37 2bw1 h SER 95 Ca -0.00 -0.16 -0.11 0.00 -1.23 0.00 0.00 61.79 60.30 2bw1 h SER 95 Cb 0.35 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 2bw1 h SER 95 CO -0.03 0.55 -0.48 -0.33 -0.53 0.00 0.00 176.83 176.01 2bw1 h GLU 96 N 0.51 0.08 0.00 2.24 5.08 -1.01 -3.29 114.58 118.18 2bw1 h GLU 96 Ca 0.14 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 2bw1 h GLU 96 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2bw1 h GLU 96 CO -0.01 0.54 -1.65 0.09 -1.00 0.00 0.00 179.01 176.98 2bw1 n ASN 97 N -3.97 0.51 -4.77 1.42 3.02 -0.24 -4.93 115.26 106.31 2bw1 n ASN 97 Ca -0.02 0.22 -0.39 0.00 -0.03 0.00 0.00 54.58 54.36 2bw1 n ASN 97 Cb 0.51 0.79 -0.00 0.00 -0.61 0.00 0.00 39.78 40.47 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 -5.35 6.25 0.00 6.41 0.15 0.07 -4.89 113.70 116.34 2bw1 s SER 98 Ca -0.05 2.68 0.23 0.00 0.70 0.00 0.00 55.95 59.51 2bw1 s SER 98 Cb 0.10 -2.64 0.57 0.00 -1.71 0.00 0.00 66.02 62.34 2bw1 s SER 98 CO 0.83 -0.90 1.47 0.00 1.20 0.00 0.00 173.24 175.85 2bw1 n GLN 99 N 0.07 2.11 -3.18 5.44 6.02 -1.26 -4.91 117.38 121.67 2bw1 n GLN 99 Ca 0.04 -1.67 -0.37 0.00 -0.01 0.00 0.00 57.00 55.00 2bw1 n GLN 99 Cb 0.43 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 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 -1.60 4.40 -0.13 1.08 1.43 -1.26 -5.07 118.68 117.52 2bw1 s LEU 100 Ca 0.35 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 54.77 2bw1 s LEU 100 Cb 0.20 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 2bw1 s LEU 100 CO 0.29 0.11 -0.11 -0.54 0.23 0.00 0.00 176.35 176.33 2bw1 s LYS 101 N -1.74 3.43 -0.04 1.70 3.01 -1.26 -5.07 119.74 119.77 2bw1 s LYS 101 Ca 0.39 -0.64 -0.04 0.00 -1.01 0.00 0.00 55.97 54.67 2bw1 s LYS 101 Cb -0.17 -2.70 -0.04 0.00 -1.01 0.00 0.00 37.83 33.91 2bw1 s LYS 101 CO 0.21 0.24 0.17 -1.21 0.51 0.00 0.00 175.35 175.27 2bw1 s GLU 102 N 0.30 3.43 0.28 1.68 2.02 -1.26 -5.11 118.70 120.05 2bw1 s GLU 102 Ca -0.08 -0.28 0.05 0.00 0.02 0.00 0.00 54.97 54.68 2bw1 s GLU 102 Cb -0.15 -3.11 -0.06 0.00 0.10 0.00 0.00 34.13 30.90 2bw1 s GLU 102 CO 0.05 0.70 -0.02 0.14 0.02 0.00 0.00 175.26 176.15 2bw1 s VAL 103 N -1.25 1.42 0.51 2.63 -7.23 -1.26 -5.13 120.40 110.09 2bw1 s VAL 103 Ca 0.24 -2.07 -0.21 0.00 -1.81 0.00 0.00 61.98 58.12 2bw1 s VAL 103 Cb -0.12 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 2bw1 s VAL 103 CO 0.15 -0.24 1.21 -0.76 -0.31 0.00 0.00 175.10 175.15 2bw1 s LEU 104 N -3.43 3.88 0.38 1.32 1.43 -1.26 -4.95 118.68 116.05 2bw1 s LEU 104 Ca 0.31 2.41 -0.27 0.00 -1.03 0.00 0.00 54.13 55.54 2bw1 s LEU 104 Cb 0.05 -4.36 -0.10 0.00 0.03 0.00 0.00 46.19 41.82 2bw1 s LEU 104 CO 0.12 -1.23 1.34 -0.83 0.23 0.00 0.00 176.35 175.98 2bw1 s GLY 105 N -1.36 2.96 -0.08 -3.19 0.00 -1.26 -5.03 107.32 99.35 2bw1 s GLY 105 Ca 0.69 1.32 -0.03 0.00 0.00 0.00 0.00 44.72 46.70 2bw1 s GLY 105 CO 0.36 1.94 0.09 -0.35 0.00 0.00 0.00 173.10 175.15 2bw1 s ASP 106 N -0.53 1.33 0.59 1.64 -1.08 -1.26 -5.01 116.67 112.35 2bw1 s ASP 106 Ca 0.54 -0.03 0.37 0.00 -0.52 0.00 0.00 52.55 52.91 2bw1 s ASP 106 Cb -0.40 -0.06 1.75 0.00 -1.46 0.00 0.00 42.92 42.74 2bw1 s ASP 106 CO 0.53 -0.27 2.12 1.88 0.52 0.00 0.00 175.17 179.95 2bw1 h TYR 107 N 8.42 0.00 0.00 -5.34 -1.99 -1.97 -3.17 116.97 112.92 2bw1 h TYR 107 Ca -0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.60 2bw1 h TYR 107 Cb 1.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.86 2bw1 h TYR 107 CO 0.38 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.63 2bw1 n ASN 108 N -3.06 0.00 -4.74 3.88 3.02 -1.26 -4.60 115.26 108.50 2bw1 n ASN 108 Ca -0.01 0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 54.28 2bw1 n ASN 108 Cb 0.22 -0.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 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 -2.75 2.58 0.80 2.41 1.01 -1.20 -5.01 120.40 118.24 2bw1 s VAL 109 Ca 0.20 0.47 -0.11 0.00 0.00 0.00 0.00 61.98 62.55 2bw1 s VAL 109 Cb 0.18 -3.30 0.07 0.00 0.00 0.00 0.00 36.38 33.33 2bw1 s VAL 109 CO 0.44 0.07 1.09 0.42 0.00 0.00 0.00 175.10 177.12 2bw1 s THR 110 N 0.17 3.16 0.21 3.92 -4.23 -1.26 -4.53 115.64 113.08 2bw1 s THR 110 Ca 0.61 0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 61.46 2bw1 s THR 110 Cb -0.43 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2bw1 s THR 110 CO 0.42 -0.49 1.59 -0.29 -0.54 0.00 0.00 174.62 175.30 2bw1 h ILE 111 N -1.23 1.28 -0.70 2.99 2.10 -1.92 -1.75 117.51 118.28 2bw1 h ILE 111 Ca -0.45 -1.49 0.05 0.00 1.08 0.00 0.00 64.86 64.05 2bw1 h ILE 111 Cb 1.24 1.41 -0.04 0.00 -1.09 0.00 0.00 36.82 38.34 2bw1 h ILE 111 CO 0.52 0.48 0.46 -0.33 -1.08 0.00 0.00 178.15 178.21 2bw1 h GLU 112 N 0.59 0.77 -0.04 2.19 3.07 -1.92 -0.77 114.58 118.47 2bw1 h GLU 112 Ca 0.06 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 58.69 2bw1 h GLU 112 Cb 0.86 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 2bw1 h GLU 112 CO 0.07 0.51 -0.78 1.49 -1.40 0.00 0.00 179.01 178.91 2bw1 h GLU 113 N 0.80 0.29 0.08 2.33 4.81 -1.84 -1.85 114.58 119.19 2bw1 h GLU 113 Ca 0.29 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2bw1 h GLU 113 Cb 0.14 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2bw1 h GLU 113 CO -0.09 0.93 -0.04 1.96 -0.73 0.00 0.00 179.01 181.05 2bw1 h GLN 114 N 0.18 -0.10 -0.39 1.92 1.08 -0.74 -1.88 115.11 115.18 2bw1 h GLN 114 Ca -0.04 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 2bw1 h GLN 114 Cb 1.37 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.80 2bw1 h GLN 114 CO 0.13 0.01 0.05 -0.07 -0.95 0.00 0.00 178.83 178.00 2bw1 h LEU 115 N -0.20 0.56 -1.11 1.46 3.38 -1.15 -0.93 115.31 117.31 2bw1 h LEU 115 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2bw1 h LEU 115 Cb 0.16 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2bw1 h LEU 115 CO 0.02 0.59 0.39 0.00 0.09 0.00 0.00 178.44 179.53 2bw1 h ALA 116 N 1.48 1.32 -0.49 1.53 0.00 -1.23 -0.12 119.26 121.75 2bw1 h ALA 116 Ca 0.13 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2bw1 h ALA 116 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2bw1 h ALA 116 CO 0.00 0.55 -0.16 -0.09 0.00 0.00 0.00 179.25 179.55 2bw1 h ARG 117 N 1.02 0.97 -0.18 0.00 9.65 -0.41 -1.61 114.38 123.82 2bw1 h ARG 117 Ca 0.26 -0.39 0.02 0.00 -1.10 0.00 0.00 59.98 58.76 2bw1 h ARG 117 Cb 0.03 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 2bw1 h ARG 117 CO -0.04 1.07 0.04 0.28 2.80 0.00 0.00 179.97 184.11 2bw1 h VAL 118 N 0.83 0.93 -0.75 0.20 2.07 -0.82 -1.90 116.25 116.80 2bw1 h VAL 118 Ca 0.12 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.70 2bw1 h VAL 118 Cb 0.74 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 2bw1 h VAL 118 CO 0.06 0.02 0.39 0.58 0.02 0.00 0.00 177.57 178.64 2bw1 h VAL 119 N 0.11 0.85 -0.34 2.57 2.07 -0.80 -0.56 116.25 120.15 2bw1 h VAL 119 Ca 0.08 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2bw1 h VAL 119 Cb 0.07 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 2bw1 h VAL 119 CO -0.10 0.12 0.17 -0.33 0.02 0.00 0.00 177.57 177.45 2bw1 h GLU 120 N 0.66 0.35 -0.68 1.57 5.08 -0.96 0.17 114.58 120.77 2bw1 h GLU 120 Ca 0.37 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 2bw1 h GLU 120 Cb 0.39 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2bw1 h GLU 120 CO -0.27 0.23 0.39 0.28 -1.00 0.00 0.00 179.01 178.63 2bw1 h VAL 121 N 0.36 1.21 -0.29 3.13 2.07 -0.72 -1.71 116.25 120.29 2bw1 h VAL 121 Ca 0.14 -0.49 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 2bw1 h VAL 121 Cb 0.05 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2bw1 h VAL 121 CO -0.10 0.22 -0.40 -0.26 0.02 0.00 0.00 177.57 177.05 2bw1 h PHE 122 N 0.93 0.84 -0.57 1.57 -1.00 -0.69 -0.90 116.94 117.11 2bw1 h PHE 122 Ca 0.24 -0.25 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2bw1 h PHE 122 Cb 0.01 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.37 2bw1 h PHE 122 CO -0.01 0.99 0.37 0.00 -1.61 0.00 0.00 178.31 178.05 2bw1 h ARG 123 N 0.58 0.75 0.36 1.51 3.08 -0.48 0.71 114.38 120.88 2bw1 h ARG 123 Ca 0.05 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2bw1 h ARG 123 Cb 0.93 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 2bw1 h ARG 123 CO 0.09 0.51 -0.31 -0.92 -1.07 0.00 0.00 179.97 178.26 2bw1 h TYR 124 N 0.77 -0.82 -0.57 3.04 3.20 -1.03 -2.25 116.97 119.31 2bw1 h TYR 124 Ca 0.21 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.18 2bw1 h TYR 124 Cb -0.08 0.31 -0.08 0.00 1.54 0.00 0.00 36.73 38.43 2bw1 h TYR 124 CO -0.03 -0.45 0.15 -0.07 -1.64 0.00 0.00 178.16 176.12 2bw1 h LEU 125 N -0.68 0.07 -1.10 2.82 3.38 -0.91 0.28 115.31 119.17 2bw1 h LEU 125 Ca -0.03 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.16 2bw1 h LEU 125 Cb 0.60 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 2bw1 h LEU 125 CO -0.03 0.05 0.61 0.00 0.09 0.00 0.00 178.44 179.17 2bw1 h ALA 126 N 1.43 1.61 -0.19 1.53 0.00 -0.71 0.17 119.26 123.10 2bw1 h ALA 126 Ca 0.29 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.01 2bw1 h ALA 126 Cb 0.40 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2bw1 h ALA 126 CO -0.35 0.15 -0.69 0.00 0.00 0.00 0.00 179.25 178.36 2bw1 h ALA 127 N 1.56 0.34 -0.76 0.00 0.00 -0.75 -1.99 119.26 117.65 2bw1 h ALA 127 Ca 0.47 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2bw1 h ALA 127 Cb 0.53 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2bw1 h ALA 127 CO -0.24 0.66 0.34 1.25 0.00 0.00 0.00 179.25 181.26 2bw1 h LEU 128 N 0.56 1.01 -0.92 0.00 5.85 -0.21 -1.45 115.31 120.15 2bw1 h LEU 128 Ca -0.03 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 2bw1 h LEU 128 Cb 1.32 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2bw1 h LEU 128 CO 0.15 0.87 -0.30 -0.26 -0.34 0.00 0.00 178.44 178.56 2bw1 h PHE 129 N 1.09 0.49 -0.49 1.25 0.05 -0.65 -0.75 116.94 117.93 2bw1 h PHE 129 Ca 0.26 -0.11 -0.05 0.00 3.82 0.00 0.00 57.97 61.89 2bw1 h PHE 129 Cb 0.15 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 37.97 2bw1 h PHE 129 CO 0.02 0.69 0.12 0.37 -0.18 0.00 0.00 178.31 179.33 2bw1 h GLN 130 N 0.38 0.78 -0.79 1.51 5.75 -0.95 0.81 115.11 122.61 2bw1 h GLN 130 Ca 0.05 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.32 2bw1 h GLN 130 Cb 0.72 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 2bw1 h GLN 130 CO 0.06 0.76 0.34 0.87 -2.65 0.00 0.00 178.83 178.20 2bw1 h LYS 131 N 0.67 1.16 -0.46 1.69 6.56 -1.02 0.14 116.57 125.31 2bw1 h LYS 131 Ca 0.15 -0.19 -0.09 0.00 -1.06 0.00 0.00 60.65 59.46 2bw1 h LYS 131 Cb 0.33 -0.20 -0.02 0.00 -0.57 0.00 0.00 32.23 31.77 2bw1 h LYS 131 CO 0.00 0.92 -0.09 0.78 -2.06 0.00 0.00 179.45 179.00 2bw1 h GLY 132 N 1.16 0.88 0.89 3.86 0.00 -0.83 -1.14 103.07 107.88 2bw1 h GLY 132 Ca 0.27 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2bw1 h GLY 132 CO -0.03 0.60 0.08 -2.75 0.00 0.00 0.00 176.54 174.44 2bw1 h PHE 133 N 0.74 0.29 -0.39 5.60 3.57 -0.42 -2.11 116.94 124.22 2bw1 h PHE 133 Ca 0.13 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2bw1 h PHE 133 Cb 0.57 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 2bw1 h PHE 133 CO 0.03 0.35 0.11 -0.44 -2.23 0.00 0.00 178.31 176.13 2bw1 h ASP 134 N 0.16 0.57 -0.46 0.41 3.32 -0.83 -1.04 116.42 118.54 2bw1 h ASP 134 Ca 0.06 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 2bw1 h ASP 134 Cb 0.18 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2bw1 h ASP 134 CO -0.01 0.63 -0.02 0.58 -1.72 0.00 0.00 179.24 178.71 2bw1 h VAL 135 N 0.48 1.26 -0.13 -1.35 2.07 -1.26 -1.75 116.25 115.58 2bw1 h VAL 135 Ca 0.12 -1.09 -0.18 0.00 0.82 0.00 0.00 66.70 66.38 2bw1 h VAL 135 Cb 0.27 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2bw1 h VAL 135 CO -0.00 0.38 -0.65 0.77 0.02 0.00 0.00 177.57 178.08 2bw1 h SER 136 N 0.68 0.57 -0.66 0.57 4.64 -1.32 -1.62 113.55 116.42 2bw1 h SER 136 Ca 0.13 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 2bw1 h SER 136 Cb 0.53 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 2bw1 h SER 136 CO 0.03 1.07 0.31 -0.78 -0.87 0.00 0.00 176.83 176.59 2bw1 h ASP 137 N 0.36 0.86 -0.56 4.97 3.58 -1.12 0.13 116.42 124.65 2bw1 h ASP 137 Ca -0.02 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 2bw1 h ASP 137 Cb 1.21 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 42.02 2bw1 h ASP 137 CO 0.12 0.76 0.31 -0.33 -2.88 0.00 0.00 179.24 177.21 2bw1 h GLU 138 N 0.91 0.78 -0.00 0.28 3.07 -1.20 -2.89 114.58 115.53 2bw1 h GLU 138 Ca 0.22 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2bw1 h GLU 138 Cb 0.13 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2bw1 h GLU 138 CO -0.03 0.60 -0.05 0.39 -1.40 0.00 0.00 179.01 178.52 2bw1 n GLU 139 N -4.61 0.54 -1.16 2.33 1.02 -0.62 -4.92 120.64 113.23 2bw1 n GLU 139 Ca 0.03 -0.09 -0.04 0.00 -0.02 0.00 0.00 57.16 57.05 2bw1 n GLU 139 Cb 0.08 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 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 1.28 0.64 3.42 0.62 0.00 0.31 -4.94 105.19 106.53 2bw1 n GLY 140 Ca 0.15 -0.90 -0.45 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.95 6.75 0.38 1.61 2.15 -0.28 -4.85 116.67 119.47 2bw1 s ASP 141 Ca 0.00 -2.37 0.20 0.00 0.43 0.00 0.00 52.55 50.81 2bw1 s ASP 141 Cb 0.00 -2.35 0.57 0.00 -0.30 0.00 0.00 42.92 40.84 2bw1 s ASP 141 CO 0.00 -0.89 1.68 0.77 -0.17 0.00 0.00 175.17 176.56 2bw1 h SER 142 N 8.30 0.00 -0.17 -0.34 4.64 -1.93 -2.01 113.55 122.04 2bw1 h SER 142 Ca 0.17 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 2bw1 h SER 142 Cb 1.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2bw1 h SER 142 CO 1.05 0.31 -0.12 0.58 -0.87 0.00 0.00 176.83 177.78 2bw1 h VAL 143 N 0.00 1.33 -0.67 0.95 2.07 -1.97 -2.07 116.25 115.89 2bw1 h VAL 143 Ca -0.00 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 2bw1 h VAL 143 Cb 0.99 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 2bw1 h VAL 143 CO 0.04 0.36 0.32 0.74 0.02 0.00 0.00 177.57 179.05 2bw1 h THR 144 N 0.03 1.23 -0.46 2.57 2.02 -1.95 -2.43 112.91 113.91 2bw1 h THR 144 Ca 0.03 -0.64 0.09 0.00 0.77 0.00 0.00 66.41 66.67 2bw1 h THR 144 Cb 0.62 0.42 -0.09 0.00 -1.74 0.00 0.00 68.15 67.36 2bw1 h THR 144 CO 0.03 0.26 -0.14 -1.13 0.37 0.00 0.00 175.52 174.91 2bw1 h ASN 145 N 0.92 -0.51 -0.30 4.18 -0.73 -1.26 -2.20 115.58 115.68 2bw1 h ASN 145 Ca 0.23 0.15 -0.10 0.00 1.87 0.00 0.00 56.30 58.44 2bw1 h ASN 145 Cb 0.12 0.32 -0.02 0.00 0.27 0.00 0.00 38.32 39.01 2bw1 h ASN 145 CO -0.03 -0.18 -0.17 0.44 -0.37 0.00 0.00 177.43 177.13 2bw1 h ASP 146 N -0.03 0.76 -0.49 1.15 5.19 -1.06 -1.62 116.42 120.32 2bw1 h ASP 146 Ca 0.22 -0.25 0.08 0.00 -0.62 0.00 0.00 57.03 56.46 2bw1 h ASP 146 Cb 0.37 -0.21 -0.06 0.00 0.18 0.00 0.00 39.33 39.61 2bw1 h ASP 146 CO -0.49 0.93 0.12 0.40 -3.12 0.00 0.00 179.24 177.08 2bw1 h ILE 147 N 0.68 0.77 -0.22 0.35 2.04 -0.97 -0.80 117.51 119.35 2bw1 h ILE 147 Ca 0.10 -0.09 -0.14 0.00 1.00 0.00 0.00 64.86 65.73 2bw1 h ILE 147 Cb 0.66 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2bw1 h ILE 147 CO 0.05 0.05 -0.45 -0.26 0.00 0.00 0.00 178.15 177.53 2bw1 h PHE 148 N 0.27 0.68 -0.56 1.37 -1.00 -1.15 -2.26 116.94 114.29 2bw1 h PHE 148 Ca 0.24 -0.21 -0.06 0.00 2.81 0.00 0.00 57.97 60.75 2bw1 h PHE 148 Cb 0.30 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 2bw1 h PHE 148 CO -0.20 0.92 0.13 -0.97 -1.61 0.00 0.00 178.31 176.58 2bw1 h ASN 149 N 0.45 0.86 -0.20 2.17 -1.24 -0.84 0.97 115.58 117.75 2bw1 h ASN 149 Ca 0.03 -0.23 -0.05 0.00 0.71 0.00 0.00 56.30 56.75 2bw1 h ASN 149 Cb 0.97 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 2bw1 h ASN 149 CO 0.09 0.87 -0.09 0.58 -1.29 0.00 0.00 177.43 177.59 2bw1 h VAL 150 N 0.81 1.30 -0.77 2.57 2.07 -1.12 -1.68 116.25 119.43 2bw1 h VAL 150 Ca 0.18 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 2bw1 h VAL 150 Cb 0.35 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2bw1 h VAL 150 CO 0.00 0.34 0.31 0.00 0.02 0.00 0.00 177.57 178.25 2bw1 h ALA 151 N 0.70 1.00 -0.72 1.67 0.00 -1.33 -2.62 119.26 117.96 2bw1 h ALA 151 Ca 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2bw1 h ALA 151 Cb 0.57 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2bw1 h ALA 151 CO 0.03 0.62 0.27 -0.22 0.00 0.00 0.00 179.25 179.95 2bw1 h LYS 152 N 1.11 1.08 -0.31 0.00 3.64 -0.66 -2.42 116.57 119.02 2bw1 h LYS 152 Ca 0.26 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2bw1 h LYS 152 Cb 0.21 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2bw1 h LYS 152 CO -0.02 0.90 0.20 0.00 -2.27 0.00 0.00 179.45 178.26 2bw1 h ALA 153 N 1.13 0.39 -0.19 5.00 0.00 -0.95 -2.05 119.26 122.58 2bw1 h ALA 153 Ca 0.24 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 2bw1 h ALA 153 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2bw1 h ALA 153 CO -0.02 -0.16 -0.23 0.66 0.00 0.00 0.00 179.25 179.51 2bw1 h SER 154 N 0.40 0.53 -0.53 0.00 4.64 -1.41 -2.32 113.55 114.86 2bw1 h SER 154 Ca 0.12 -0.50 0.09 0.00 -0.47 0.00 0.00 61.79 61.03 2bw1 h SER 154 Cb -0.03 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 61.83 2bw1 h SER 154 CO -0.04 0.92 0.11 0.40 -0.87 0.00 0.00 176.83 177.35 2bw1 h ILE 155 N 0.15 0.70 -0.72 0.95 1.08 -1.42 -1.75 117.51 116.50 2bw1 h ILE 155 Ca 0.03 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 2bw1 h ILE 155 Cb 0.79 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 2bw1 h ILE 155 CO 0.05 0.04 0.36 -0.33 -0.69 0.00 0.00 178.15 177.59 2bw1 h GLU 156 N 0.25 1.02 -0.75 2.37 5.08 -1.29 -0.69 114.58 120.56 2bw1 h GLU 156 Ca 0.27 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2bw1 h GLU 156 Cb 0.37 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2bw1 h GLU 156 CO -0.35 0.78 0.28 -0.22 -1.00 0.00 0.00 179.01 178.50 2bw1 h LYS 157 N 1.02 1.13 -0.80 2.33 3.64 -0.98 -1.53 116.57 121.38 2bw1 h LYS 157 Ca 0.25 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2bw1 h LYS 157 Cb 0.09 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 2bw1 h LYS 157 CO -0.03 0.93 0.36 0.45 -2.27 0.00 0.00 179.45 178.89 2bw1 h HIS 158 N 1.10 1.19 -0.47 1.91 3.86 -0.45 -2.17 115.15 120.12 2bw1 h HIS 158 Ca 0.25 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2bw1 h HIS 158 Cb 0.24 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 2bw1 h HIS 158 CO 0.02 0.88 0.31 0.82 0.86 0.00 0.00 177.93 180.82 2bw1 h ILE 159 N 1.15 1.12 -0.33 2.45 2.04 -0.60 0.87 117.51 124.22 2bw1 h ILE 159 Ca 0.27 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.98 2bw1 h ILE 159 Cb 0.16 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 2bw1 h ILE 159 CO -0.03 0.12 -0.15 -0.25 0.00 0.00 0.00 178.15 177.84 2bw1 h TRP 160 N 0.64 -0.35 -0.41 1.37 7.01 -0.94 -0.86 115.95 122.40 2bw1 h TRP 160 Ca 0.17 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.16 2bw1 h TRP 160 Cb -0.07 0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 2bw1 h TRP 160 CO -0.04 -0.22 0.05 0.52 -2.79 0.00 0.00 178.44 175.96 2bw1 h MET 161 N -0.09 0.70 -0.33 2.65 2.86 -0.70 -0.58 114.93 119.43 2bw1 h MET 161 Ca 0.17 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2bw1 h MET 161 Cb 0.34 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2bw1 h MET 161 CO -0.39 0.75 0.17 -0.07 1.06 0.00 0.00 176.91 178.43 2bw1 h LEU 162 N 0.55 0.43 -0.93 1.22 3.38 -0.75 -1.38 115.31 117.83 2bw1 h LEU 162 Ca 0.12 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2bw1 h LEU 162 Cb 0.40 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2bw1 h LEU 162 CO 0.01 0.43 0.61 1.56 0.09 0.00 0.00 178.44 181.13 2bw1 h GLN 163 N 0.40 1.16 -0.18 1.13 1.08 -1.04 -1.55 115.11 116.11 2bw1 h GLN 163 Ca 0.11 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2bw1 h GLN 163 Cb 0.11 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 2bw1 h GLN 163 CO -0.02 0.77 0.09 0.00 -0.95 0.00 0.00 178.83 178.72 2bw1 h ALA 164 N 1.37 0.23 -0.74 3.87 0.00 -0.69 0.12 119.26 123.42 2bw1 h ALA 164 Ca 0.36 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.36 2bw1 h ALA 164 Cb -0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.57 2bw1 h ALA 164 CO -0.11 -0.22 0.18 1.49 0.00 0.00 0.00 179.25 180.59 2bw1 h GLU 165 N 0.17 0.25 -0.10 0.00 4.57 -0.81 0.24 114.58 118.91 2bw1 h GLU 165 Ca 0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2bw1 h GLU 165 Cb 0.10 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2bw1 h GLU 165 CO -0.01 0.17 0.00 1.28 -1.18 0.00 0.00 179.01 179.27 2bw1 n LEU 166 N -5.17 0.10 -1.80 1.64 4.77 -0.63 -4.88 117.00 111.04 2bw1 n LEU 166 Ca 0.14 -0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 55.91 2bw1 n LEU 166 Cb 0.47 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2bw1 n LEU 166 CO 0.12 0.03 -0.20 0.61 -1.33 0.00 0.00 177.39 176.61 2bw1 n GLY 167 N 0.31 -0.12 3.45 -0.72 0.00 0.85 -5.01 105.19 103.96 2bw1 n GLY 167 Ca 0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.67 1.61 0.67 1.61 -0.21 0.32 -5.01 119.66 113.99 2bw1 s GLN 168 Ca 0.00 -1.83 -0.12 0.00 0.02 0.00 0.00 55.36 53.43 2bw1 s GLN 168 Cb 0.00 -1.23 -0.00 0.00 1.00 0.00 0.00 33.01 32.78 2bw1 s GLN 168 CO 0.00 0.03 1.06 0.00 -2.12 0.00 0.00 175.29 174.26 2bw1 s ALA 169 N -2.96 2.67 0.28 6.09 0.00 -1.26 -3.27 121.76 123.30 2bw1 s ALA 169 Ca 0.31 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 2bw1 s ALA 169 Cb 0.04 -3.20 0.45 0.00 0.00 0.00 0.00 23.12 20.41 2bw1 s ALA 169 CO 0.13 -1.14 1.89 -1.35 0.00 0.00 0.00 175.76 175.29 2bw1 h PRO 170 N -0.40 1.10 -6.31 0.00 0.11 -1.87 -3.46 132.00 121.17 2bw1 h PRO 170 Ca -0.45 -0.07 -0.47 0.00 0.11 0.00 0.00 66.00 65.13 2bw1 h PRO 170 Cb 1.21 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 2bw1 h PRO 170 CO 0.57 0.72 -0.83 1.63 -0.21 0.00 0.00 178.00 179.88 2bw1 n LYS 171 N -4.50 -4.47 0.00 1.05 5.02 -1.26 -4.84 118.16 109.15 2bw1 n LYS 171 Ca 0.15 0.53 0.01 0.00 -2.02 0.00 0.00 58.31 56.99 2bw1 n LYS 171 Cb 0.20 -5.07 0.07 0.00 -0.02 0.00 0.00 35.03 30.20 2bw1 n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16