#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkg h ASP 13 N 0.00 0.35 1.40 -3.46 -0.00 -2.04 -3.08 116.42 109.60 2bkg h ASP 13 Ca 0.00 -0.20 -0.05 0.00 -0.00 0.00 0.00 57.03 56.78 2bkg h ASP 13 Cb 0.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 39.23 2bkg h ASP 13 CO 0.00 0.45 -0.61 -0.07 -0.00 0.00 0.00 179.24 179.01 2bkg h LEU 14 N 0.22 0.00 -0.68 2.28 3.38 -2.00 -3.10 115.31 115.42 2bkg h LEU 14 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2bkg h LEU 14 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2bkg h LEU 14 CO -0.00 0.22 0.29 1.23 0.09 0.00 0.00 178.44 180.27 2bkg h GLY 15 N 3.82 1.09 1.73 0.83 0.00 -1.87 -2.10 103.07 106.58 2bkg h GLY 15 Ca -0.03 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 2bkg h GLY 15 CO 0.02 0.55 -0.41 1.70 0.00 0.00 0.00 176.54 178.41 2bkg h LYS 16 N 0.97 0.30 -0.01 4.80 1.63 -1.51 -1.88 116.57 120.87 2bkg h LYS 16 Ca 0.23 -0.14 -0.21 0.00 -0.85 0.00 0.00 60.65 59.68 2bkg h LYS 16 Cb 0.19 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 2bkg h LYS 16 CO -0.02 0.66 -0.88 0.87 -3.45 0.00 0.00 179.45 176.63 2bkg h LYS 17 N 0.25 0.31 -0.50 1.90 1.57 -1.45 -2.65 116.57 115.99 2bkg h LYS 17 Ca 0.02 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2bkg h LYS 17 Cb 0.83 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 2bkg h LYS 17 CO 0.07 1.01 0.17 1.25 -0.57 0.00 0.00 179.45 181.38 2bkg h LEU 18 N 0.18 0.73 -0.92 2.94 5.85 -1.27 -0.48 115.31 122.34 2bkg h LEU 18 Ca -0.06 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.50 2bkg h LEU 18 Cb 1.50 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 2bkg h LEU 18 CO 0.14 0.73 0.60 -0.07 -0.34 0.00 0.00 178.44 179.51 2bkg h LEU 19 N 0.68 1.00 -0.28 2.25 3.38 -1.28 0.97 115.31 122.03 2bkg h LEU 19 Ca 0.16 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.92 2bkg h LEU 19 Cb 0.26 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2bkg h LEU 19 CO -0.01 0.69 -0.81 -0.33 0.09 0.00 0.00 178.44 178.07 2bkg h GLU 20 N 1.17 0.50 -0.25 1.13 5.08 -1.13 -2.41 114.58 118.67 2bkg h GLU 20 Ca 0.37 -0.44 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2bkg h GLU 20 Cb -0.01 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2bkg h GLU 20 CO -0.12 1.08 -0.37 0.00 -1.00 0.00 0.00 179.01 178.60 2bkg h ALA 21 N 0.79 0.39 -0.53 3.43 0.00 -0.87 -1.24 119.26 121.22 2bkg h ALA 21 Ca -0.05 -0.44 0.03 0.00 0.00 0.00 0.00 54.91 54.45 2bkg h ALA 21 Cb 1.41 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2bkg h ALA 21 CO 0.15 0.46 0.30 0.00 0.00 0.00 0.00 179.25 180.16 2bkg h ALA 22 N 0.66 0.68 -0.57 0.00 0.00 -0.84 0.22 119.26 119.41 2bkg h ALA 22 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2bkg h ALA 22 Cb 0.96 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2bkg h ALA 22 CO 0.09 -0.01 -0.06 -0.09 0.00 0.00 0.00 179.25 179.18 2bkg h ARG 23 N 0.59 1.03 0.00 0.00 2.43 -1.31 -2.82 114.38 114.30 2bkg h ARG 23 Ca 0.22 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2bkg h ARG 23 Cb 0.07 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2bkg h ARG 23 CO -0.12 1.04 0.00 0.00 -1.51 0.00 0.00 179.97 179.38 2bkg n ALA 24 N -2.49 2.27 -2.32 2.80 0.00 -0.48 -4.93 120.51 115.36 2bkg n ALA 24 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 2bkg n ALA 24 Cb 0.37 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2bkg n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bkg n GLY 25 N 1.31 0.66 3.37 0.00 0.00 -0.06 -4.98 105.19 105.49 2bkg n GLY 25 Ca 0.06 -0.73 -0.46 0.00 0.00 0.00 0.00 46.02 44.89 2bkg n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bkg s GLN 26 N -4.62 3.88 0.27 1.61 -0.21 -0.49 -4.86 119.66 115.24 2bkg s GLN 26 Ca 0.01 -2.65 0.05 0.00 0.02 0.00 0.00 55.36 52.80 2bkg s GLN 26 Cb -0.01 -4.62 0.38 0.00 1.00 0.00 0.00 33.01 29.77 2bkg s GLN 26 CO 0.02 -1.40 1.65 0.38 -2.12 0.00 0.00 175.29 173.82 2bkg h ASP 27 N 7.45 0.28 -0.01 5.90 2.03 -1.93 -0.85 116.42 129.29 2bkg h ASP 27 Ca 0.17 -0.13 0.01 0.00 -0.73 0.00 0.00 57.03 56.34 2bkg h ASP 27 Cb 0.96 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.37 2bkg h ASP 27 CO 0.95 0.71 -0.03 -2.24 -1.03 0.00 0.00 179.24 177.60 2bkg h ASP 28 N 0.21 -0.10 -0.38 4.15 -0.00 -1.99 -1.88 116.42 116.44 2bkg h ASP 28 Ca 0.01 0.02 -0.08 0.00 -0.00 0.00 0.00 57.03 56.98 2bkg h ASP 28 Cb 0.90 0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 40.26 2bkg h ASP 28 CO 0.07 -0.05 -0.06 -0.08 -0.00 0.00 0.00 179.24 179.13 2bkg h GLU 29 N -0.05 0.80 -0.61 4.15 4.57 -1.80 -1.96 114.58 119.68 2bkg h GLU 29 Ca 0.02 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 57.94 2bkg h GLU 29 Cb 0.08 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2bkg h GLU 29 CO -0.04 0.84 0.32 0.28 -1.18 0.00 0.00 179.01 179.23 2bkg h VAL 30 N 0.73 1.20 -0.40 0.32 2.07 -1.12 0.39 116.25 119.45 2bkg h VAL 30 Ca 0.13 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 2bkg h VAL 30 Cb 0.53 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2bkg h VAL 30 CO 0.03 0.23 -0.09 -0.09 0.02 0.00 0.00 177.57 177.67 2bkg h ARG 31 N 0.83 0.68 -0.04 1.57 2.43 -0.86 -1.89 114.38 117.10 2bkg h ARG 31 Ca 0.21 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2bkg h ARG 31 Cb 0.07 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2bkg h ARG 31 CO -0.03 0.76 -0.13 0.82 -1.51 0.00 0.00 179.97 179.88 2bkg h ILE 32 N 0.63 1.45 -0.53 1.20 2.04 -0.98 -1.80 117.51 119.53 2bkg h ILE 32 Ca 0.11 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.44 2bkg h ILE 32 Cb 0.52 2.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.93 2bkg h ILE 32 CO 0.03 0.42 0.31 -0.07 0.00 0.00 0.00 178.15 178.85 2bkg h LEU 33 N -0.38 0.64 -1.44 1.44 3.38 -0.88 0.40 115.31 118.47 2bkg h LEU 33 Ca -0.00 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2bkg h LEU 33 Cb 0.75 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2bkg h LEU 33 CO 0.03 0.51 -0.13 0.24 0.09 0.00 0.00 178.44 179.18 2bkg h MET 34 N 0.71 0.20 -0.12 1.13 2.86 -1.31 -1.21 114.93 117.19 2bkg h MET 34 Ca 0.19 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.65 2bkg h MET 34 Cb -0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2bkg h MET 34 CO -0.03 0.35 -0.49 0.00 1.06 0.00 0.00 176.91 177.79 2bkg h ALA 35 N 1.67 0.94 0.00 6.32 0.00 -0.51 -2.80 119.26 124.88 2bkg h ALA 35 Ca 0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 2bkg h ALA 35 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2bkg h ALA 35 CO 0.02 0.66 -0.32 -0.91 0.00 0.00 0.00 179.25 178.70 2bkg h ASN 36 N 0.25 0.00 0.00 0.00 2.35 -0.02 -3.47 115.58 114.69 2bkg h ASN 36 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2bkg h ASN 36 Cb 0.96 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2bkg h ASN 36 CO 0.08 0.32 0.00 0.61 -1.65 0.00 0.00 177.43 176.79 2bkg n GLY 37 N 0.44 1.88 3.77 2.83 0.00 -0.55 -5.09 105.19 108.47 2bkg n GLY 37 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2bkg n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkg s ALA 38 N -2.00 3.36 -0.06 4.61 0.00 -0.73 -4.90 121.76 122.03 2bkg s ALA 38 Ca 0.00 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.91 2bkg s ALA 38 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 2bkg s ALA 38 CO 0.00 -0.75 1.61 0.34 0.00 0.00 0.00 175.76 176.96 2bkg s ASP 39 N -0.63 6.70 0.41 0.00 2.15 -1.26 -4.74 116.67 119.29 2bkg s ASP 39 Ca 0.54 2.18 0.18 0.00 0.43 0.00 0.00 52.55 55.88 2bkg s ASP 39 Cb -0.39 -2.54 0.89 0.00 -0.30 0.00 0.00 42.92 40.59 2bkg s ASP 39 CO 0.51 -0.90 1.86 1.62 -0.17 0.00 0.00 175.17 178.09 2bkg h VAL 40 N 5.53 0.99 -0.79 1.11 3.04 -1.90 -2.47 116.25 121.75 2bkg h VAL 40 Ca -0.38 -1.15 -0.45 0.00 -1.01 0.00 0.00 66.70 63.70 2bkg h VAL 40 Cb 1.17 1.67 -0.25 0.00 -2.01 0.00 0.00 31.29 31.86 2bkg h VAL 40 CO 0.95 0.30 0.39 0.59 -1.01 0.00 0.00 177.57 178.79 2bkg n ASN 41 N -3.83 4.17 -4.74 3.17 3.02 -1.26 -4.36 115.26 111.43 2bkg n ASN 41 Ca -0.01 -3.71 -0.40 0.00 -0.03 0.00 0.00 54.58 50.42 2bkg n ASN 41 Cb 0.39 -0.78 0.02 0.00 -0.61 0.00 0.00 39.78 38.80 2bkg n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bkg n ALA 42 N -1.07 1.74 -2.47 5.41 0.00 -0.93 -4.87 120.51 118.31 2bkg n ALA 42 Ca 0.52 0.25 -0.32 0.00 0.00 0.00 0.00 53.44 53.89 2bkg n ALA 42 Cb 1.26 -2.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.23 2bkg n ALA 42 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2bkg s GLU 43 N -2.37 2.29 0.39 0.00 2.02 -1.26 -3.79 118.70 115.98 2bkg s GLU 43 Ca 0.61 -0.84 -0.07 0.00 0.02 0.00 0.00 54.97 54.70 2bkg s GLU 43 Cb -0.47 -2.28 0.09 0.00 0.10 0.00 0.00 34.13 31.57 2bkg s GLU 43 CO 0.57 0.58 0.53 -0.40 0.02 0.00 0.00 175.26 176.57 2bkg n ASP 44 N 1.92 0.04 0.00 -0.19 5.68 -0.42 -4.89 116.55 118.68 2bkg n ASP 44 Ca -0.16 -1.19 0.14 0.00 -0.50 0.00 0.00 54.79 53.08 2bkg n ASP 44 Cb 0.52 -0.41 0.76 0.00 -1.14 0.00 0.00 41.12 40.86 2bkg n ASP 44 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2bkg n THR 45 N -2.74 0.05 0.65 2.12 -2.24 -1.26 -1.73 114.28 109.13 2bkg n THR 45 Ca 0.07 0.01 0.10 0.00 -2.27 0.00 0.00 64.05 61.96 2bkg n THR 45 Cb 0.23 -0.55 0.10 0.00 -2.10 0.00 0.00 70.33 68.02 2bkg n THR 45 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2bkg n TYR 46 N -1.20 0.10 -0.67 4.78 4.02 -1.26 -4.97 117.16 117.96 2bkg n TYR 46 Ca 0.16 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2bkg n TYR 46 Cb 0.19 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2bkg n TYR 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bkg n GLY 47 N 1.10 0.73 3.72 2.72 0.00 -0.71 -1.77 105.19 110.98 2bkg n GLY 47 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2bkg n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bkg s ASP 48 N -2.40 7.19 0.66 1.61 1.01 -1.26 -4.02 116.67 119.45 2bkg s ASP 48 Ca 0.00 1.43 -0.04 0.00 0.71 0.00 0.00 52.55 54.65 2bkg s ASP 48 Cb 0.00 -2.49 0.05 0.00 1.01 0.00 0.00 42.92 41.50 2bkg s ASP 48 CO 0.00 -0.16 0.94 0.42 0.21 0.00 0.00 175.17 176.58 2bkg s THR 49 N 0.77 2.39 0.35 -1.27 -4.23 -1.25 -1.30 115.64 111.11 2bkg s THR 49 Ca 0.44 -0.40 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 2bkg s THR 49 Cb -0.20 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 70.93 2bkg s THR 49 CO 0.23 0.00 1.97 -0.65 -0.54 0.00 0.00 174.62 175.64 2bkg h PRO 50 N -0.39 0.78 -0.35 3.99 0.11 -1.76 -1.82 132.00 132.55 2bkg h PRO 50 Ca -0.43 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2bkg h PRO 50 Cb 1.31 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2bkg h PRO 50 CO 0.57 0.52 0.18 1.25 -0.21 0.00 0.00 178.00 180.31 2bkg h LEU 51 N 0.81 0.45 -0.50 2.35 5.85 -1.93 -0.91 115.31 121.43 2bkg h LEU 51 Ca 0.29 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.00 2bkg h LEU 51 Cb 0.13 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 2bkg h LEU 51 CO -0.09 0.43 -0.09 0.45 -0.34 0.00 0.00 178.44 178.80 2bkg h HIS 52 N 0.44 -0.20 -0.33 1.25 3.86 -1.81 -1.05 115.15 117.30 2bkg h HIS 52 Ca 0.12 0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 2bkg h HIS 52 Cb 0.09 0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 2bkg h HIS 52 CO -0.02 -0.19 -0.11 -0.07 0.86 0.00 0.00 177.93 178.40 2bkg h LEU 53 N 0.03 0.67 -0.74 2.43 3.38 -0.84 -0.81 115.31 119.43 2bkg h LEU 53 Ca 0.24 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 2bkg h LEU 53 Cb 0.37 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2bkg h LEU 53 CO -0.49 0.90 -0.16 0.00 0.09 0.00 0.00 178.44 178.77 2bkg h ALA 54 N 0.80 0.92 -0.13 1.53 0.00 -1.21 -2.18 119.26 119.00 2bkg h ALA 54 Ca 0.08 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2bkg h ALA 54 Cb 0.62 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2bkg h ALA 54 CO 0.04 0.62 -0.36 0.00 0.00 0.00 0.00 179.25 179.55 2bkg h ALA 55 N 1.11 1.16 -0.01 0.00 0.00 -0.99 -0.54 119.26 119.99 2bkg h ALA 55 Ca 0.11 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2bkg h ALA 55 Cb 0.66 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2bkg h ALA 55 CO 0.05 0.55 -0.26 -0.09 0.00 0.00 0.00 179.25 179.50 2bkg h ARG 56 N 0.22 0.19 0.00 0.00 2.43 -1.04 -3.30 114.38 112.87 2bkg h ARG 56 Ca 0.03 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 2bkg h ARG 56 Cb 0.74 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 2bkg h ARG 56 CO 0.06 0.92 -0.29 -0.24 -1.51 0.00 0.00 179.97 178.90 2bkg h VAL 57 N -0.47 0.53 0.00 0.20 3.04 -1.40 -3.46 116.25 114.69 2bkg h VAL 57 Ca -0.03 -1.62 0.00 0.00 -1.01 0.00 0.00 66.70 64.04 2bkg h VAL 57 Cb 1.00 2.16 0.00 0.00 -2.01 0.00 0.00 31.29 32.44 2bkg h VAL 57 CO 0.05 0.29 0.00 0.61 -1.01 0.00 0.00 177.57 177.51 2bkg n GLY 58 N 0.96 1.44 3.49 3.17 0.00 -0.32 -5.05 105.19 108.88 2bkg n GLY 58 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2bkg n GLY 58 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bkg s HIS 59 N -2.00 3.03 0.25 1.61 3.76 -0.58 -4.87 115.29 116.48 2bkg s HIS 59 Ca 0.00 -1.41 -0.06 0.00 -0.15 0.00 0.00 55.06 53.44 2bkg s HIS 59 Cb 0.00 -4.42 0.29 0.00 1.11 0.00 0.00 32.58 29.56 2bkg s HIS 59 CO 0.00 -1.60 1.90 1.25 -0.85 0.00 0.00 174.74 175.44 2bkg h LEU 60 N 11.00 1.05 -1.24 0.89 5.85 -1.97 -1.28 115.31 129.61 2bkg h LEU 60 Ca 0.22 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2bkg h LEU 60 Cb 0.98 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 2bkg h LEU 60 CO 1.23 0.73 -0.04 1.05 -0.34 0.00 0.00 178.44 181.07 2bkg h GLU 61 N 1.23 0.46 -0.10 1.25 9.09 -1.98 -0.95 114.58 123.59 2bkg h GLU 61 Ca 0.38 -0.10 -0.06 0.00 0.05 0.00 0.00 59.36 59.62 2bkg h GLU 61 Cb -0.03 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.01 2bkg h GLU 61 CO -0.11 0.53 -0.17 0.82 0.05 0.00 0.00 179.01 180.12 2bkg h ILE 62 N 0.44 1.39 -0.68 -1.06 1.08 -1.79 -2.30 117.51 114.59 2bkg h ILE 62 Ca 0.09 -1.45 0.14 0.00 -0.39 0.00 0.00 64.86 63.26 2bkg h ILE 62 Cb 0.36 2.11 -0.12 0.00 -3.07 0.00 0.00 36.82 36.10 2bkg h ILE 62 CO 0.02 0.41 -0.05 0.58 -0.69 0.00 0.00 178.15 178.42 2bkg h VAL 63 N -0.16 0.39 -0.41 1.67 2.07 -0.98 -0.12 116.25 118.71 2bkg h VAL 63 Ca 0.01 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2bkg h VAL 63 Cb 0.75 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2bkg h VAL 63 CO 0.04 0.01 0.18 -0.33 0.02 0.00 0.00 177.57 177.49 2bkg h GLU 64 N 0.07 0.60 -0.12 1.57 5.08 -1.05 -1.25 114.58 119.49 2bkg h GLU 64 Ca 0.35 -0.10 -0.18 0.00 -1.00 0.00 0.00 59.36 58.43 2bkg h GLU 64 Cb 0.58 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2bkg h GLU 64 CO -0.62 0.55 -0.68 -0.24 -1.00 0.00 0.00 179.01 177.02 2bkg h VAL 65 N 0.52 1.35 -0.32 3.13 3.04 -0.98 -1.38 116.25 121.61 2bkg h VAL 65 Ca 0.14 -2.02 -0.01 0.00 -1.01 0.00 0.00 66.70 63.80 2bkg h VAL 65 Cb 0.16 2.00 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 2bkg h VAL 65 CO -0.01 0.61 0.16 -0.07 -1.01 0.00 0.00 177.57 177.25 2bkg h LEU 66 N 0.34 0.40 -1.65 3.16 3.38 -0.85 -1.63 115.31 118.47 2bkg h LEU 66 Ca -0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2bkg h LEU 66 Cb 1.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2bkg h LEU 66 CO 0.12 0.40 -0.01 -0.07 0.09 0.00 0.00 178.44 178.97 2bkg h LEU 67 N 0.38 0.18 -0.49 1.67 3.38 -1.02 -0.65 115.31 118.76 2bkg h LEU 67 Ca 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2bkg h LEU 67 Cb 0.09 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2bkg h LEU 67 CO -0.02 0.23 -0.06 0.11 0.09 0.00 0.00 178.44 178.80 2bkg h LYS 68 N 0.20 0.00 -0.66 1.13 1.57 -0.76 -2.96 116.57 115.09 2bkg h LYS 68 Ca 0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2bkg h LYS 68 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2bkg h LYS 68 CO 0.00 0.06 0.08 0.09 -0.57 0.00 0.00 179.45 179.12 2bkg n ASN 69 N -3.13 5.26 0.00 0.86 3.02 -0.33 -4.93 115.26 116.01 2bkg n ASN 69 Ca 0.03 -2.97 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 2bkg n ASN 69 Cb 0.48 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 2bkg n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bkg n GLY 70 N 0.37 0.44 3.68 7.41 0.00 -1.03 -4.90 105.19 111.16 2bkg n GLY 70 Ca 0.30 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 2bkg n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkg n ALA 71 N 0.79 1.04 -2.27 4.61 0.00 -0.70 -4.90 120.51 119.08 2bkg n ALA 71 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 2bkg n ALA 71 Cb 0.00 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.21 2bkg n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bkg s ASP 72 N -0.37 6.09 0.51 0.00 -1.08 -1.26 -4.79 116.67 115.77 2bkg s ASP 72 Ca 0.56 0.69 0.25 0.00 -0.52 0.00 0.00 52.55 53.54 2bkg s ASP 72 Cb -0.58 -2.54 1.40 0.00 -1.46 0.00 0.00 42.92 39.74 2bkg s ASP 72 CO 0.62 -1.66 2.07 1.62 0.52 0.00 0.00 175.17 178.33 2bkg h VAL 73 N 6.54 0.65 -0.40 1.11 3.04 -1.90 -2.71 116.25 122.59 2bkg h VAL 73 Ca -0.28 -0.52 -0.14 0.00 -1.01 0.00 0.00 66.70 64.75 2bkg h VAL 73 Cb 1.12 1.32 -0.08 0.00 -2.01 0.00 0.00 31.29 31.64 2bkg h VAL 73 CO 1.12 0.12 0.04 0.59 -1.01 0.00 0.00 177.57 178.43 2bkg n ASN 74 N -3.76 3.38 -4.74 3.17 3.02 -1.26 -4.40 115.26 110.67 2bkg n ASN 74 Ca -0.02 -3.40 -0.40 0.00 -0.03 0.00 0.00 54.58 50.73 2bkg n ASN 74 Cb 0.23 -0.63 0.02 0.00 -0.61 0.00 0.00 39.78 38.79 2bkg n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bkg n ALA 75 N -0.78 1.71 -2.96 5.41 0.00 -1.02 -4.89 120.51 117.97 2bkg n ALA 75 Ca 0.31 0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.65 2bkg n ALA 75 Cb 1.06 -2.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.05 2bkg n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bkg s LEU 76 N -2.40 3.34 0.00 0.00 1.43 -1.26 -3.98 118.68 115.81 2bkg s LEU 76 Ca 0.62 -0.11 -0.05 0.00 -1.03 0.00 0.00 54.13 53.56 2bkg s LEU 76 Cb -0.47 -1.82 0.14 0.00 0.03 0.00 0.00 46.19 44.08 2bkg s LEU 76 CO 0.57 0.15 0.91 -0.90 0.23 0.00 0.00 176.35 177.31 2bkg n ASP 77 N 3.67 0.70 0.27 2.29 5.68 -0.68 -4.83 116.55 123.64 2bkg n ASP 77 Ca -0.17 -1.71 0.17 0.00 -0.50 0.00 0.00 54.79 52.58 2bkg n ASP 77 Cb 0.52 -0.64 0.74 0.00 -1.14 0.00 0.00 41.12 40.61 2bkg n ASP 77 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 2bkg h PHE 78 N -0.98 0.00 -0.04 2.11 0.05 -1.59 -0.35 116.94 116.13 2bkg h PHE 78 Ca -0.30 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.49 2bkg h PHE 78 Cb 0.98 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.93 2bkg h PHE 78 CO 0.00 0.00 0.00 -1.13 -0.18 0.00 0.00 178.31 177.00 2bkg n SER 79 N -2.95 1.25 0.00 2.17 3.41 -1.26 -4.92 113.62 111.32 2bkg n SER 79 Ca 0.00 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 2bkg n SER 79 Cb 0.25 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 2bkg n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bkg n GLY 80 N 1.12 0.43 3.79 5.00 0.00 -0.14 -1.90 105.19 113.49 2bkg n GLY 80 Ca 0.19 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 2bkg n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bkg s SER 81 N -2.56 6.96 0.39 1.61 0.01 -1.26 -4.07 113.70 114.78 2bkg s SER 81 Ca 0.00 1.14 0.03 0.00 1.31 0.00 0.00 55.95 58.43 2bkg s SER 81 Cb 0.00 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 2bkg s SER 81 CO 0.00 0.18 0.58 0.42 0.41 0.00 0.00 173.24 174.83 2bkg s THR 82 N -0.56 4.17 0.31 1.44 -4.23 -1.26 -1.69 115.64 113.84 2bkg s THR 82 Ca 0.29 -0.69 0.06 0.00 -1.18 0.00 0.00 61.69 60.18 2bkg s THR 82 Cb -0.18 -3.51 0.30 0.00 1.34 0.00 0.00 72.50 70.46 2bkg s THR 82 CO 0.17 -0.29 1.78 -0.65 -0.54 0.00 0.00 174.62 175.09 2bkg h PRO 83 N 0.63 0.73 -1.01 3.99 0.11 -1.77 -1.62 132.00 133.06 2bkg h PRO 83 Ca -0.47 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.61 2bkg h PRO 83 Cb 1.25 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 2bkg h PRO 83 CO 0.56 0.49 0.67 1.25 -0.21 0.00 0.00 178.00 180.76 2bkg h LEU 84 N 0.76 1.15 -0.55 2.35 5.85 -1.95 -1.22 115.31 121.70 2bkg h LEU 84 Ca 0.57 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.34 2bkg h LEU 84 Cb 0.90 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 2bkg h LEU 84 CO -0.36 0.83 0.21 0.45 -0.34 0.00 0.00 178.44 179.23 2bkg h HIS 85 N 1.36 0.37 -0.12 1.25 3.86 -1.68 -0.84 115.15 119.35 2bkg h HIS 85 Ca 0.37 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.48 2bkg h HIS 85 Cb -0.15 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.24 2bkg h HIS 85 CO -0.00 0.12 -0.42 -0.07 0.86 0.00 0.00 177.93 178.42 2bkg h LEU 86 N 0.40 0.58 -0.79 2.43 3.38 -1.18 -1.78 115.31 118.35 2bkg h LEU 86 Ca 0.27 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 2bkg h LEU 86 Cb 0.29 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2bkg h LEU 86 CO -0.26 1.10 0.33 0.00 0.09 0.00 0.00 178.44 179.70 2bkg h ALA 87 N 0.50 1.03 -0.18 1.53 0.00 -1.20 -1.20 119.26 119.73 2bkg h ALA 87 Ca -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2bkg h ALA 87 Cb 1.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2bkg h ALA 87 CO 0.09 0.64 0.05 0.00 0.00 0.00 0.00 179.25 180.02 2bkg h ALA 88 N 1.17 0.24 -0.86 0.00 0.00 -1.09 -0.70 119.26 118.02 2bkg h ALA 88 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2bkg h ALA 88 Cb 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2bkg h ALA 88 CO -0.02 -0.13 0.56 -0.22 0.00 0.00 0.00 179.25 179.44 2bkg h LYS 89 N 0.10 1.15 -0.20 0.00 3.64 -1.25 -2.89 116.57 117.11 2bkg h LYS 89 Ca 0.06 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2bkg h LYS 89 Cb 0.26 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2bkg h LYS 89 CO 0.00 0.77 0.00 0.54 -2.27 0.00 0.00 179.45 178.49 2bkg n ARG 90 N -4.39 1.80 -1.28 1.90 5.12 -0.46 -4.84 116.66 114.51 2bkg n ARG 90 Ca 0.10 -1.21 -0.02 0.00 -1.93 0.00 0.00 57.85 54.79 2bkg n ARG 90 Cb 0.03 -1.39 -0.01 0.00 -1.16 0.00 0.00 32.46 29.93 2bkg n ARG 90 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bkg n GLY 91 N 1.16 0.48 3.43 -0.13 0.00 -0.89 -4.97 105.19 104.26 2bkg n GLY 91 Ca 0.16 -0.95 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 2bkg n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bkg s HIS 92 N -2.08 3.61 0.20 1.61 3.76 -0.32 -4.85 115.29 117.22 2bkg s HIS 92 Ca 0.00 -2.10 -0.11 0.00 -0.15 0.00 0.00 55.06 52.70 2bkg s HIS 92 Cb 0.00 -4.18 0.17 0.00 1.11 0.00 0.00 32.58 29.68 2bkg s HIS 92 CO 0.00 -1.30 1.84 1.25 -0.85 0.00 0.00 174.74 175.69 2bkg h LEU 93 N 9.10 0.69 -1.00 0.89 5.85 -1.93 -0.92 115.31 127.98 2bkg h LEU 93 Ca 0.24 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 2bkg h LEU 93 Cb 0.91 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2bkg h LEU 93 CO 1.14 0.48 -0.16 -0.33 -0.34 0.00 0.00 178.44 179.23 2bkg h GLU 94 N 0.82 0.53 -0.22 1.25 3.07 -1.98 -0.67 114.58 117.39 2bkg h GLU 94 Ca 0.27 -0.17 -0.06 0.00 -0.50 0.00 0.00 59.36 58.90 2bkg h GLU 94 Cb 0.01 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 2bkg h GLU 94 CO -0.10 0.68 -0.09 0.82 -1.40 0.00 0.00 179.01 178.91 2bkg h ILE 95 N 0.48 1.30 -0.48 3.13 2.04 -1.86 -2.00 117.51 120.11 2bkg h ILE 95 Ca 0.08 -1.14 0.08 0.00 1.00 0.00 0.00 64.86 64.88 2bkg h ILE 95 Cb 0.56 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 38.17 2bkg h ILE 95 CO 0.04 0.35 0.12 0.58 0.00 0.00 0.00 178.15 179.24 2bkg h VAL 96 N 0.15 0.77 -0.84 1.67 2.07 -0.69 0.39 116.25 119.77 2bkg h VAL 96 Ca 0.05 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2bkg h VAL 96 Cb 0.57 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2bkg h VAL 96 CO 0.03 0.05 0.55 -0.33 0.02 0.00 0.00 177.57 177.88 2bkg h GLU 97 N 0.27 1.05 -0.03 1.57 5.08 -1.01 -1.84 114.58 119.68 2bkg h GLU 97 Ca 0.24 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.28 2bkg h GLU 97 Cb 0.29 -0.24 0.02 0.00 0.50 0.00 0.00 28.75 29.32 2bkg h GLU 97 CO -0.29 0.70 -0.98 -0.24 -1.00 0.00 0.00 179.01 177.20 2bkg h VAL 98 N 1.08 1.30 -0.51 3.13 3.04 -0.65 -1.63 116.25 122.00 2bkg h VAL 98 Ca 0.32 -2.22 0.00 0.00 -1.01 0.00 0.00 66.70 63.79 2bkg h VAL 98 Cb -0.05 2.31 -0.02 0.00 -2.01 0.00 0.00 31.29 31.52 2bkg h VAL 98 CO -0.10 0.69 0.33 -0.07 -1.01 0.00 0.00 177.57 177.41 2bkg h LEU 99 N 0.40 0.60 -0.69 3.16 3.38 -0.82 -1.12 115.31 120.21 2bkg h LEU 99 Ca -0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2bkg h LEU 99 Cb 1.62 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 2bkg h LEU 99 CO 0.19 0.45 0.29 -0.07 0.09 0.00 0.00 178.44 179.40 2bkg h LEU 100 N 0.69 0.94 -1.42 1.67 3.38 -1.28 -0.01 115.31 119.27 2bkg h LEU 100 Ca 0.19 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2bkg h LEU 100 Cb -0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2bkg h LEU 100 CO -0.04 0.84 0.30 0.50 0.09 0.00 0.00 178.44 180.13 2bkg h LYS 101 N 0.97 0.69 -0.82 1.13 3.64 -0.71 -1.71 116.57 119.76 2bkg h LYS 101 Ca 0.23 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2bkg h LYS 101 Cb 0.18 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2bkg h LYS 101 CO -0.02 0.49 0.04 0.66 -2.27 0.00 0.00 179.45 178.34 2bkg n TYR 102 N -4.42 1.07 -0.52 1.91 4.02 -0.48 -4.89 117.16 113.85 2bkg n TYR 102 Ca 0.04 -0.44 0.00 0.00 -0.01 0.00 0.00 57.90 57.49 2bkg n TYR 102 Cb 0.08 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.07 2bkg n TYR 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bkg n GLY 103 N 0.24 0.68 3.75 2.72 0.00 -0.64 -4.89 105.19 107.05 2bkg n GLY 103 Ca 0.15 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 2bkg n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkg n ALA 104 N -0.45 1.83 -2.57 4.61 0.00 -0.06 -4.89 120.51 118.98 2bkg n ALA 104 Ca 0.00 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 2bkg n ALA 104 Cb 0.00 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.05 2bkg n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bkg s ASP 105 N -0.69 6.65 0.52 0.00 -1.08 -1.26 -4.77 116.67 116.03 2bkg s ASP 105 Ca 0.66 0.63 0.29 0.00 -0.52 0.00 0.00 52.55 53.61 2bkg s ASP 105 Cb -0.43 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 39.86 2bkg s ASP 105 CO 0.53 -1.21 2.02 1.62 0.52 0.00 0.00 175.17 178.65 2bkg h VAL 106 N 6.17 0.43 -0.25 1.11 3.04 -1.90 -2.94 116.25 121.90 2bkg h VAL 106 Ca -0.23 -0.64 -0.06 0.00 -1.01 0.00 0.00 66.70 64.76 2bkg h VAL 106 Cb 1.07 1.45 -0.04 0.00 -2.01 0.00 0.00 31.29 31.76 2bkg h VAL 106 CO 1.11 0.12 -0.03 0.59 -1.01 0.00 0.00 177.57 178.34 2bkg n ASN 107 N -3.44 3.15 -4.77 3.17 3.02 -1.26 -4.38 115.26 110.75 2bkg n ASN 107 Ca -0.01 -3.30 -0.41 0.00 -0.03 0.00 0.00 54.58 50.83 2bkg n ASN 107 Cb 0.28 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 38.89 2bkg n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bkg s ALA 108 N -2.99 3.62 -0.10 5.41 0.00 -1.11 -4.94 121.76 121.65 2bkg s ALA 108 Ca 0.41 1.56 0.02 0.00 0.00 0.00 0.00 51.96 53.96 2bkg s ALA 108 Cb 0.35 -3.62 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 2bkg s ALA 108 CO 0.05 -1.02 -0.17 0.16 0.00 0.00 0.00 175.76 174.78 2bkg s ASP 109 N 0.03 3.75 0.49 0.00 -4.77 -1.26 -4.13 116.67 110.79 2bkg s ASP 109 Ca 0.56 -0.35 0.00 0.00 -3.30 0.00 0.00 52.55 49.45 2bkg s ASP 109 Cb -0.47 -1.28 0.00 0.00 -1.09 0.00 0.00 42.92 40.09 2bkg s ASP 109 CO 0.58 0.22 0.00 -0.90 0.70 0.00 0.00 175.17 175.77 2bkg n ASP 110 N 3.14 0.00 -0.35 2.11 5.68 -0.17 -4.83 116.55 122.14 2bkg n ASP 110 Ca -0.18 -0.65 0.13 0.00 -0.50 0.00 0.00 54.79 53.59 2bkg n ASP 110 Cb 0.52 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.83 2bkg n ASP 110 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bkg h THR 111 N -0.49 0.67 -0.67 2.12 1.03 -1.60 -1.28 112.91 112.70 2bkg h THR 111 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 66.16 2bkg h THR 111 Cb 0.00 -0.10 0.00 0.00 -1.07 0.00 0.00 68.15 66.98 2bkg h THR 111 CO 0.00 0.13 0.00 2.30 -0.01 0.00 0.00 175.52 177.94 2bkg n ILE 112 N -4.80 1.69 -0.91 0.00 -5.35 -1.26 -4.94 119.36 103.79 2bkg n ILE 112 Ca 0.23 -1.17 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 2bkg n ILE 112 Cb 0.59 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 2bkg n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bkg n GLY 113 N 1.23 0.55 3.74 3.28 0.00 -0.48 -0.00 105.19 113.51 2bkg n GLY 113 Ca 0.26 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 2bkg n GLY 113 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bkg s SER 114 N -2.00 6.87 0.41 1.61 0.01 -1.26 -3.99 113.70 115.35 2bkg s SER 114 Ca 0.00 2.44 0.08 0.00 1.31 0.00 0.00 55.95 59.78 2bkg s SER 114 Cb 0.00 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.62 2bkg s SER 114 CO 0.00 -0.54 0.54 0.42 0.41 0.00 0.00 173.24 174.07 2bkg s THR 115 N 0.05 3.07 0.34 1.44 -4.23 -1.26 -0.99 115.64 114.06 2bkg s THR 115 Ca 0.57 -1.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.12 2bkg s THR 115 Cb -0.37 -3.04 0.32 0.00 1.34 0.00 0.00 72.50 70.75 2bkg s THR 115 CO 0.39 -0.02 1.86 -0.65 -0.54 0.00 0.00 174.62 175.66 2bkg h PRO 116 N 0.70 0.72 -0.54 3.99 0.11 -1.76 -2.35 132.00 132.87 2bkg h PRO 116 Ca -0.41 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.67 2bkg h PRO 116 Cb 1.28 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2bkg h PRO 116 CO 0.47 0.48 0.35 1.25 -0.21 0.00 0.00 178.00 180.34 2bkg h LEU 117 N 0.74 0.60 -0.35 2.35 5.85 -1.95 -0.85 115.31 121.71 2bkg h LEU 117 Ca 0.47 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.23 2bkg h LEU 117 Cb 0.70 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2bkg h LEU 117 CO -0.23 0.43 0.03 0.45 -0.34 0.00 0.00 178.44 178.79 2bkg h HIS 118 N 0.72 0.05 -0.56 1.25 3.86 -1.82 -0.82 115.15 117.82 2bkg h HIS 118 Ca 0.20 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.34 2bkg h HIS 118 Cb -0.06 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 2bkg h HIS 118 CO -0.04 -0.02 -0.04 -0.07 0.86 0.00 0.00 177.93 178.62 2bkg h LEU 119 N 0.14 0.99 -0.29 2.43 3.38 -1.06 -0.05 115.31 120.85 2bkg h LEU 119 Ca 0.17 -0.29 -0.20 0.00 0.09 0.00 0.00 57.88 57.65 2bkg h LEU 119 Cb 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2bkg h LEU 119 CO -0.25 1.06 -0.77 0.00 0.09 0.00 0.00 178.44 178.57 2bkg h ALA 120 N 1.03 0.47 -0.77 1.53 0.00 -1.09 -2.63 119.26 117.79 2bkg h ALA 120 Ca 0.16 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2bkg h ALA 120 Cb 0.58 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2bkg h ALA 120 CO 0.03 0.73 0.29 0.00 0.00 0.00 0.00 179.25 180.31 2bkg h ALA 121 N 0.78 1.00 0.00 0.00 0.00 -0.95 -1.61 119.26 118.48 2bkg h ALA 121 Ca -0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 2bkg h ALA 121 Cb 1.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2bkg h ALA 121 CO 0.14 0.65 -0.28 0.22 0.00 0.00 0.00 179.25 179.98 2bkg h ASP 122 N 1.13 0.00 -0.51 0.00 3.58 -0.86 -2.61 116.42 117.15 2bkg h ASP 122 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2bkg h ASP 122 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2bkg h ASP 122 CO -0.02 0.28 0.00 0.35 -2.88 0.00 0.00 179.24 176.97 2bkg n THR 123 N -3.88 0.67 -1.40 2.25 -2.24 -1.01 -4.98 114.28 103.70 2bkg n THR 123 Ca -0.02 -0.84 -0.03 0.00 -2.27 0.00 0.00 64.05 60.90 2bkg n THR 123 Cb 0.36 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 2bkg n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bkg n GLY 124 N 1.54 0.48 3.43 3.38 0.00 -0.82 -4.95 105.19 108.26 2bkg n GLY 124 Ca 0.21 -0.89 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 2bkg n GLY 124 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bkg s HIS 125 N -2.12 3.32 0.16 1.61 3.76 -0.67 -4.88 115.29 116.47 2bkg s HIS 125 Ca 0.00 -1.66 -0.15 0.00 -0.15 0.00 0.00 55.06 53.09 2bkg s HIS 125 Cb 0.00 -4.22 0.03 0.00 1.11 0.00 0.00 32.58 29.50 2bkg s HIS 125 CO 0.00 -1.39 1.81 1.25 -0.85 0.00 0.00 174.74 175.56 2bkg h LEU 126 N 9.82 0.53 -0.80 0.89 5.85 -1.93 -1.77 115.31 127.90 2bkg h LEU 126 Ca 0.18 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2bkg h LEU 126 Cb 0.99 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2bkg h LEU 126 CO 1.09 0.40 0.45 -0.33 -0.34 0.00 0.00 178.44 179.71 2bkg h GLU 127 N 0.61 1.10 -0.25 1.25 5.08 -1.99 0.10 114.58 120.48 2bkg h GLU 127 Ca 0.16 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2bkg h GLU 127 Cb -0.05 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2bkg h GLU 127 CO -0.03 0.80 0.08 0.82 -1.00 0.00 0.00 179.01 179.68 2bkg h ILE 128 N 1.10 1.19 -0.61 3.13 2.04 -1.92 -2.14 117.51 120.31 2bkg h ILE 128 Ca 0.28 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.63 2bkg h ILE 128 Cb 0.01 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 2bkg h ILE 128 CO -0.05 0.20 0.22 0.58 0.00 0.00 0.00 178.15 179.11 2bkg h VAL 129 N 0.25 0.77 -0.55 1.67 2.07 -0.73 -0.18 116.25 119.54 2bkg h VAL 129 Ca 0.08 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.52 2bkg h VAL 129 Cb 0.23 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 2bkg h VAL 129 CO -0.00 0.07 0.26 -0.33 0.02 0.00 0.00 177.57 177.59 2bkg h GLU 130 N 0.40 0.47 -0.17 1.57 5.08 -0.81 -1.14 114.58 119.98 2bkg h GLU 130 Ca 0.31 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.43 2bkg h GLU 130 Cb 0.38 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.53 2bkg h GLU 130 CO -0.31 0.31 -0.70 0.28 -1.00 0.00 0.00 179.01 177.59 2bkg h VAL 131 N 0.49 1.29 -0.73 3.13 2.07 -0.87 -1.51 116.25 120.10 2bkg h VAL 131 Ca 0.26 -1.91 0.08 0.00 0.82 0.00 0.00 66.70 65.95 2bkg h VAL 131 Cb 0.21 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 2bkg h VAL 131 CO -0.21 0.60 0.39 -0.07 0.02 0.00 0.00 177.57 178.31 2bkg h LEU 132 N 0.50 0.55 -0.68 2.57 3.38 -0.86 -1.56 115.31 119.21 2bkg h LEU 132 Ca -0.04 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2bkg h LEU 132 Cb 1.33 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 2bkg h LEU 132 CO 0.15 0.33 0.38 -0.07 0.09 0.00 0.00 178.44 179.31 2bkg h LEU 133 N 0.68 0.85 -1.29 1.67 3.38 -0.92 -1.16 115.31 118.51 2bkg h LEU 133 Ca 0.35 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.24 2bkg h LEU 133 Cb 0.31 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2bkg h LEU 133 CO -0.24 0.69 0.48 0.11 0.09 0.00 0.00 178.44 179.57 2bkg h LYS 134 N 0.93 0.95 -0.03 1.13 1.79 -0.59 -0.76 116.57 119.99 2bkg h LYS 134 Ca 0.24 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2bkg h LYS 134 Cb 0.03 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.47 2bkg h LYS 134 CO -0.04 0.63 0.00 0.66 -1.08 0.00 0.00 179.45 179.62 2bkg n TYR 135 N -4.43 0.03 0.00 -1.35 4.02 -0.65 -4.89 117.16 109.90 2bkg n TYR 135 Ca 0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2bkg n TYR 135 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 2bkg n TYR 135 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bkg n GLY 136 N 0.88 1.16 3.72 2.72 0.00 -0.29 -4.87 105.19 108.51 2bkg n GLY 136 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2bkg n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkg n ALA 137 N -1.65 1.59 -2.52 4.61 0.00 -0.50 -4.89 120.51 117.14 2bkg n ALA 137 Ca 0.00 0.32 -0.43 0.00 0.00 0.00 0.00 53.44 53.33 2bkg n ALA 137 Cb 0.00 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.08 2bkg n ALA 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bkg s ASP 138 N -0.36 6.34 0.32 0.00 2.15 -1.26 -4.79 116.67 119.08 2bkg s ASP 138 Ca 0.57 -0.29 0.26 0.00 0.43 0.00 0.00 52.55 53.53 2bkg s ASP 138 Cb -0.52 -2.34 1.02 0.00 -0.30 0.00 0.00 42.92 40.79 2bkg s ASP 138 CO 0.61 -0.81 1.77 -0.37 -0.17 0.00 0.00 175.17 176.20 2bkg h VAL 139 N 5.90 0.00 -0.01 1.11 -1.51 -1.91 -2.89 116.25 116.94 2bkg h VAL 139 Ca -0.25 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 2bkg h VAL 139 Cb 1.09 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 2bkg h VAL 139 CO 0.91 0.00 -0.42 0.59 -1.23 0.00 0.00 177.57 177.42 2bkg n ASN 140 N -2.45 1.39 -4.68 4.19 3.02 -1.26 -4.45 115.26 111.02 2bkg n ASN 140 Ca 0.02 -1.11 -0.45 0.00 -0.03 0.00 0.00 54.58 53.01 2bkg n ASN 140 Cb 0.28 0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 39.76 2bkg n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bkg n ALA 141 N -0.52 1.52 -2.87 5.41 0.00 -1.09 -4.92 120.51 118.03 2bkg n ALA 141 Ca 0.10 0.33 -0.37 0.00 0.00 0.00 0.00 53.44 53.50 2bkg n ALA 141 Cb 0.39 -2.51 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 2bkg n ALA 141 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2bkg s GLN 142 N 2.83 3.45 0.57 0.00 -0.21 -1.26 -4.18 119.66 120.87 2bkg s GLN 142 Ca 0.85 -0.13 -0.10 0.00 0.02 0.00 0.00 55.36 56.01 2bkg s GLN 142 Cb -0.60 -3.19 0.14 0.00 1.00 0.00 0.00 33.01 30.36 2bkg s GLN 142 CO 0.42 0.77 0.65 -0.40 -2.12 0.00 0.00 175.29 174.62 2bkg n ASP 143 N 2.00 -0.61 0.20 5.90 3.85 -0.36 -4.87 116.55 122.66 2bkg n ASP 143 Ca -0.20 -1.09 0.14 0.00 -0.71 0.00 0.00 54.79 52.93 2bkg n ASP 143 Cb 0.55 -0.53 0.63 0.00 -1.35 0.00 0.00 41.12 40.41 2bkg n ASP 143 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 2bkg h LYS 144 N 0.00 0.00 -0.43 0.11 2.10 -0.68 -1.93 116.57 115.74 2bkg h LYS 144 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2bkg h LYS 144 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 2bkg h LYS 144 CO 0.15 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.79 2bkg n PHE 145 N -2.57 0.56 -0.59 0.07 3.72 -1.26 -4.96 117.46 112.42 2bkg n PHE 145 Ca 0.01 -0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 2bkg n PHE 145 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2bkg n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bkg n GLY 146 N 1.50 0.74 3.76 1.37 0.00 -0.72 -5.06 105.19 106.77 2bkg n GLY 146 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2bkg n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bkg s LYS 147 N -0.41 4.34 0.52 1.61 -0.14 -1.26 -4.73 119.74 119.68 2bkg s LYS 147 Ca 0.00 0.76 0.01 0.00 -1.36 0.00 0.00 55.97 55.39 2bkg s LYS 147 Cb 0.00 -3.36 0.02 0.00 -1.68 0.00 0.00 37.83 32.82 2bkg s LYS 147 CO 0.00 0.33 0.74 0.95 -0.76 0.00 0.00 175.35 176.61 2bkg s THR 148 N -0.07 3.11 0.21 2.17 -4.23 -1.26 -1.22 115.64 114.35 2bkg s THR 148 Ca 0.32 -0.61 -0.09 0.00 -1.18 0.00 0.00 61.69 60.13 2bkg s THR 148 Cb -0.18 -3.16 0.16 0.00 1.34 0.00 0.00 72.50 70.65 2bkg s THR 148 CO 0.17 -0.11 1.83 0.00 -0.54 0.00 0.00 174.62 175.98 2bkg h ALA 149 N 0.19 0.95 -0.38 3.99 0.00 -1.78 -1.28 119.26 120.95 2bkg h ALA 149 Ca -0.43 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.53 2bkg h ALA 149 Cb 1.28 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2bkg h ALA 149 CO 0.54 0.17 0.08 0.35 0.00 0.00 0.00 179.25 180.38 2bkg h PHE 150 N 0.82 0.13 -0.93 0.00 3.57 -1.82 -1.70 116.94 117.01 2bkg h PHE 150 Ca 0.30 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.90 2bkg h PHE 150 Cb 0.10 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 2bkg h PHE 150 CO -0.05 0.02 0.59 -0.44 -2.23 0.00 0.00 178.31 176.19 2bkg h ASP 151 N 0.21 0.91 -0.61 0.41 3.32 -1.77 0.53 116.42 119.41 2bkg h ASP 151 Ca 0.18 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.28 2bkg h ASP 151 Cb 0.21 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 2bkg h ASP 151 CO -0.23 0.55 0.38 0.40 -1.72 0.00 0.00 179.24 178.62 2bkg h ILE 152 N 1.03 1.08 -0.47 0.35 2.04 -0.73 -0.13 117.51 120.69 2bkg h ILE 152 Ca 0.42 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.93 2bkg h ILE 152 Cb 0.25 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2bkg h ILE 152 CO -0.20 0.14 -0.09 0.77 0.00 0.00 0.00 178.15 178.77 2bkg h SER 153 N 0.75 0.83 -0.14 1.72 4.64 -0.04 -1.67 113.55 119.64 2bkg h SER 153 Ca 0.24 -0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2bkg h SER 153 Cb 0.01 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2bkg h SER 153 CO -0.10 0.94 -0.01 0.40 -0.87 0.00 0.00 176.83 177.19 2bkg h ILE 154 N 0.76 1.26 -0.87 0.95 2.04 -0.96 -1.98 117.51 118.72 2bkg h ILE 154 Ca 0.13 -0.88 0.20 0.00 1.00 0.00 0.00 64.86 65.32 2bkg h ILE 154 Cb 0.58 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 2bkg h ILE 154 CO 0.04 0.26 0.59 0.44 0.00 0.00 0.00 178.15 179.47 2bkg h ASP 155 N -0.01 0.35 0.26 1.72 3.45 -0.73 -1.71 116.42 119.75 2bkg h ASP 155 Ca 0.04 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.53 2bkg h ASP 155 Cb 0.40 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 2bkg h ASP 155 CO 0.01 0.14 -0.31 0.59 -1.57 0.00 0.00 179.24 178.10 2bkg n ASN 156 N -4.48 1.00 -0.89 6.45 3.02 -0.65 -4.94 115.26 114.76 2bkg n ASN 156 Ca 0.18 -0.83 -0.12 0.00 -0.03 0.00 0.00 54.58 53.79 2bkg n ASN 156 Cb 0.70 0.18 -0.05 0.00 -0.61 0.00 0.00 39.78 40.01 2bkg n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bkg n GLY 157 N 1.37 1.27 3.45 7.41 0.00 -0.64 -4.97 105.19 113.08 2bkg n GLY 157 Ca 0.11 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 2bkg n GLY 157 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bkg s ASN 158 N -2.86 6.32 0.26 1.61 3.84 -0.77 -4.90 114.94 118.44 2bkg s ASN 158 Ca 0.00 -1.33 0.16 0.00 0.21 0.00 0.00 52.86 51.90 2bkg s ASN 158 Cb 0.00 -2.41 0.05 0.00 -0.55 0.00 0.00 41.25 38.34 2bkg s ASN 158 CO 0.00 -1.32 1.37 -0.33 -2.79 0.00 0.00 177.10 174.02 2bkg h GLU 159 N 9.35 0.00 -0.40 0.43 4.39 -1.93 -2.70 114.58 123.72 2bkg h GLU 159 Ca -0.14 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.40 2bkg h GLU 159 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 2bkg h GLU 159 CO 1.17 0.44 -0.37 -0.44 -1.16 0.00 0.00 179.01 178.65 2bkg h ASP 160 N 0.00 1.01 -0.21 1.42 3.32 -1.97 -2.67 116.42 117.32 2bkg h ASP 160 Ca -0.02 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 2bkg h ASP 160 Cb 1.38 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2bkg h ASP 160 CO 0.06 1.26 0.08 -0.07 -1.72 0.00 0.00 179.24 178.85 2bkg h LEU 161 N 0.77 0.28 -0.95 1.55 3.38 -1.95 -3.20 115.31 115.20 2bkg h LEU 161 Ca 0.07 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.95 2bkg h LEU 161 Cb 0.96 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 2bkg h LEU 161 CO 0.09 0.37 0.60 0.00 0.09 0.00 0.00 178.44 179.59 2bkg h ALA 162 N 0.92 1.36 -0.34 1.53 0.00 -1.36 -2.07 119.26 119.31 2bkg h ALA 162 Ca 0.07 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2bkg h ALA 162 Cb 0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2bkg h ALA 162 CO -0.01 0.31 -0.02 1.49 0.00 0.00 0.00 179.25 181.03 2bkg h GLU 163 N 1.04 0.07 0.00 0.00 4.81 -1.47 -2.33 114.58 116.71 2bkg h GLU 163 Ca 0.43 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 2bkg h GLU 163 Cb 0.28 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2bkg h GLU 163 CO -0.21 0.05 -0.17 -0.84 -0.73 0.00 0.00 179.01 177.11 2bkg h ILE 164 N 0.07 0.00 -0.00 2.32 3.07 -1.47 -3.28 117.51 118.22 2bkg h ILE 164 Ca 0.16 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 66.02 2bkg h ILE 164 Cb 0.23 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 38.22 2bkg h ILE 164 CO -0.29 0.00 -0.21 0.18 -1.05 0.00 0.00 178.15 176.78 2bkg n LEU 165 N -2.33 0.56 0.00 0.16 4.77 -0.89 -5.11 117.00 114.16 2bkg n LEU 165 Ca 0.05 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2bkg n LEU 165 Cb 0.45 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2bkg n LEU 165 CO 0.32 0.11 0.00 1.67 -1.33 0.00 0.00 177.39 178.17