#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imo s MET 1 N 0.00 2.41 -0.10 -1.40 -1.94 -0.48 -4.99 119.30 112.80 3imo s MET 1 Ca 0.00 -0.79 0.02 0.00 -1.71 0.00 0.00 55.69 53.21 3imo s MET 1 Cb 0.00 -1.98 0.01 0.00 2.01 0.00 0.00 34.83 34.87 3imo s MET 1 CO 0.00 0.28 -0.17 0.00 -0.01 0.00 0.00 175.02 175.12 3imo s ALA 2 N 0.06 1.78 -0.21 3.03 0.00 -1.26 -0.54 121.76 124.61 3imo s ALA 2 Ca -0.08 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 3imo s ALA 2 Cb -0.14 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 3imo s ALA 2 CO 0.04 0.02 0.03 -1.17 0.00 0.00 0.00 175.76 174.68 3imo s LEU 3 N 0.81 3.38 -0.28 0.00 2.96 0.10 -4.95 118.68 120.70 3imo s LEU 3 Ca -0.10 -0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 3imo s LEU 3 Cb -0.16 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3imo s LEU 3 CO 0.01 0.05 0.15 -0.89 -1.32 0.00 0.00 176.35 174.35 3imo s THR 4 N 1.09 4.93 -1.22 3.68 2.01 -1.26 -0.94 115.64 123.93 3imo s THR 4 Ca 0.03 -0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.83 3imo s THR 4 Cb -0.14 -3.36 0.06 0.00 0.01 0.00 0.00 72.50 69.06 3imo s THR 4 CO 0.02 0.25 1.68 -0.69 -0.69 0.00 0.00 174.62 175.20 3imo s VAL 5 N 1.70 4.04 -0.06 3.82 1.01 -0.37 -4.77 120.40 125.78 3imo s VAL 5 Ca 0.07 -1.59 0.12 0.00 0.00 0.00 0.00 61.98 60.58 3imo s VAL 5 Cb -0.16 -5.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.06 3imo s VAL 5 CO 0.08 -1.95 1.38 0.11 0.00 0.00 0.00 175.10 174.73 3imo h LYS 6 N 8.23 0.00 -3.76 2.72 1.57 -1.95 -3.39 116.57 119.98 3imo h LYS 6 Ca 0.38 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.96 3imo h LYS 6 Cb 0.91 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.17 3imo h LYS 6 CO 1.44 0.68 -0.04 0.16 -0.57 0.00 0.00 179.45 181.12 3imo s ASP 7 N -6.55 0.65 0.28 0.86 1.47 -1.26 -5.06 116.67 107.06 3imo s ASP 7 Ca 0.03 -1.39 0.08 0.00 1.18 0.00 0.00 52.55 52.45 3imo s ASP 7 Cb 0.08 0.73 0.39 0.00 -0.34 0.00 0.00 42.92 43.79 3imo s ASP 7 CO 0.77 -1.43 1.64 0.58 0.68 0.00 0.00 175.17 177.41 3imo h VAL 8 N 2.06 1.38 -0.20 2.11 2.07 -1.99 -2.12 116.25 119.57 3imo h VAL 8 Ca -0.29 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 65.37 3imo h VAL 8 Cb 1.24 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 3imo h VAL 8 CO 0.39 0.54 0.12 -1.13 0.02 0.00 0.00 177.57 177.51 3imo h ASN 9 N 0.09 0.24 0.04 0.57 -1.24 -1.99 -0.54 115.58 112.74 3imo h ASN 9 Ca -0.00 -0.04 -0.09 0.00 0.71 0.00 0.00 56.30 56.88 3imo h ASN 9 Cb 0.99 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.97 3imo h ASN 9 CO 0.08 0.20 -0.27 0.40 -1.29 0.00 0.00 177.43 176.55 3imo h ILE 10 N 0.25 1.26 -0.31 2.57 1.08 -1.93 -2.02 117.51 118.42 3imo h ILE 10 Ca 0.07 -1.24 -0.03 0.00 -0.39 0.00 0.00 64.86 63.27 3imo h ILE 10 Cb 0.01 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 3imo h ILE 10 CO -0.01 0.38 0.06 0.25 -0.69 0.00 0.00 178.15 178.14 3imo h LEU 11 N 0.32 0.48 -0.55 1.44 5.85 -0.97 0.01 115.31 121.89 3imo h LEU 11 Ca 0.05 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 3imo h LEU 11 Cb 0.64 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3imo h LEU 11 CO 0.05 0.61 0.16 0.28 -0.34 0.00 0.00 178.44 179.19 3imo h SER 12 N 0.33 0.82 -0.67 1.25 0.02 -0.90 -0.70 113.55 113.70 3imo h SER 12 Ca 0.09 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 3imo h SER 12 Cb 0.33 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3imo h SER 12 CO 0.00 0.82 0.29 1.56 -1.14 0.00 0.00 176.83 178.36 3imo h GLN 13 N 0.78 1.01 -0.27 3.45 4.20 -1.25 0.16 115.11 123.20 3imo h GLN 13 Ca 0.18 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3imo h GLN 13 Cb 0.30 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3imo h GLN 13 CO -0.00 0.82 0.01 -0.92 -0.67 0.00 0.00 178.83 178.07 3imo h TYR 14 N 1.00 0.51 -0.62 2.96 3.20 -0.55 -0.94 116.97 122.52 3imo h TYR 14 Ca 0.23 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 3imo h TYR 14 Cb 0.18 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 3imo h TYR 14 CO 0.01 0.61 0.25 0.82 -1.64 0.00 0.00 178.16 178.22 3imo h ILE 15 N 0.26 1.23 -0.89 1.81 2.04 -0.97 -0.46 117.51 120.53 3imo h ILE 15 Ca 0.08 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3imo h ILE 15 Cb 0.40 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3imo h ILE 15 CO 0.01 0.28 0.56 0.28 0.00 0.00 0.00 178.15 179.28 3imo h SER 16 N 0.87 1.05 -0.64 1.72 0.02 -0.86 -0.38 113.55 115.33 3imo h SER 16 Ca 0.21 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3imo h SER 16 Cb 0.20 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3imo h SER 16 CO -0.02 0.79 0.22 1.23 -1.14 0.00 0.00 176.83 177.91 3imo h GLY 17 N 1.23 1.06 0.93 -3.77 0.00 -0.58 -0.56 103.07 101.37 3imo h GLY 17 Ca 0.32 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3imo h GLY 17 CO -0.06 0.57 0.11 -2.08 0.00 0.00 0.00 176.54 175.08 3imo h VAL 18 N 0.92 1.22 -0.06 4.60 2.07 -0.47 -1.90 116.25 122.64 3imo h VAL 18 Ca 0.21 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.90 3imo h VAL 18 Cb 0.26 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3imo h VAL 18 CO -0.01 0.25 -0.45 0.24 0.02 0.00 0.00 177.57 177.63 3imo h MET 19 N 0.48 0.13 -0.19 1.57 2.86 -0.95 -0.08 114.93 118.75 3imo h MET 19 Ca 0.12 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 3imo h MET 19 Cb 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3imo h MET 19 CO -0.00 0.55 -0.19 0.00 1.06 0.00 0.00 176.91 178.33 3imo h ALA 20 N 1.44 0.28 -0.61 6.32 0.00 -0.97 -0.65 119.26 125.06 3imo h ALA 20 Ca 0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3imo h ALA 20 Cb 0.83 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3imo h ALA 20 CO 0.06 0.20 0.06 0.00 0.00 0.00 0.00 179.25 179.58 3imo h ARG 21 N 0.12 1.02 -0.37 0.00 3.08 -1.18 -2.33 114.38 114.72 3imo h ARG 21 Ca 0.03 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.73 3imo h ARG 21 Cb 0.74 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3imo h ARG 21 CO 0.05 0.96 -0.05 0.00 -1.07 0.00 0.00 179.97 179.85 3imo h ALA 22 N 1.11 0.51 -0.95 0.04 0.00 -0.94 -1.80 119.26 117.23 3imo h ALA 22 Ca 0.18 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3imo h ALA 22 Cb 0.46 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3imo h ALA 22 CO 0.02 0.33 0.62 0.22 0.00 0.00 0.00 179.25 180.44 3imo h ASP 23 N 0.50 1.05 0.35 0.00 3.58 -1.02 -0.36 116.42 120.51 3imo h ASP 23 Ca 0.10 -0.01 -0.26 0.00 0.42 0.00 0.00 57.03 57.27 3imo h ASP 23 Cb 0.55 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.36 3imo h ASP 23 CO 0.03 0.73 -1.12 -0.74 -2.88 0.00 0.00 179.24 175.26 3imo h HIS 24 N 1.23 0.71 0.00 0.28 2.76 -1.24 -3.43 115.15 115.47 3imo h HIS 24 Ca 0.37 -0.44 -0.05 0.00 -2.20 0.00 0.00 60.37 58.05 3imo h HIS 24 Cb -0.04 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 3imo h HIS 24 CO -0.01 1.29 -0.10 -2.39 -1.30 0.00 0.00 177.93 175.42 3imo n HIS 25 N -3.70 0.00 -2.86 5.26 1.44 -0.69 -4.94 115.22 109.72 3imo n HIS 25 Ca -0.09 -0.18 -0.12 0.00 -2.01 0.00 0.00 57.72 55.31 3imo n HIS 25 Cb 0.93 0.34 0.02 0.00 0.12 0.00 0.00 29.99 31.41 3imo n HIS 25 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3imo n ALA 26 N 0.00 2.30 0.26 1.59 0.00 -0.22 -4.97 120.51 119.48 3imo n ALA 26 Ca -0.10 -2.88 0.15 0.00 0.00 0.00 0.00 53.44 50.61 3imo n ALA 26 Cb 0.56 -0.96 0.86 0.00 0.00 0.00 0.00 19.45 19.91 3imo n ALA 26 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3imo h GLY 27 N 2.89 0.00 1.88 0.00 0.00 -1.65 -2.67 103.07 103.52 3imo h GLY 27 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3imo h GLY 27 CO 0.41 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.94 3imo n ASN 28 N -3.92 0.00 0.00 0.19 5.15 -1.26 -2.91 115.26 112.51 3imo n ASN 28 Ca -0.02 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.34 3imo n ASN 28 Cb 0.16 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 3imo n ASN 28 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3imo n VAL 29 N -1.44 0.34 -0.30 3.44 0.24 -1.01 -0.98 118.33 118.62 3imo n VAL 29 Ca 0.05 -0.43 0.01 0.00 -2.04 0.00 0.00 64.34 61.92 3imo n VAL 29 Cb 0.18 0.99 0.20 0.00 -1.47 0.00 0.00 33.84 33.74 3imo n VAL 29 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3imo h GLU 30 N 0.00 1.11 0.01 7.34 4.81 -1.53 -0.50 114.58 125.83 3imo h GLU 30 Ca 0.00 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3imo h GLU 30 Cb 0.56 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3imo h GLU 30 CO 0.00 0.74 -0.15 0.93 -0.73 0.00 0.00 179.01 179.80 3imo h GLU 31 N 1.15 0.07 0.00 1.92 5.08 -1.88 -3.29 114.58 117.63 3imo h GLU 31 Ca 0.34 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3imo h GLU 31 Cb -0.04 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3imo h GLU 31 CO -0.09 0.95 -0.13 0.97 -1.00 0.00 0.00 179.01 179.70 3imo h ILE 32 N -0.76 0.49 -0.79 3.13 6.09 -1.79 -2.50 117.51 121.39 3imo h ILE 32 Ca -0.02 -0.66 0.04 0.00 -1.37 0.00 0.00 64.86 62.85 3imo h ILE 32 Cb 1.01 1.45 -0.05 0.00 0.47 0.00 0.00 36.82 39.71 3imo h ILE 32 CO 0.03 0.13 0.52 0.00 -3.07 0.00 0.00 178.15 175.76 3imo h ALA 33 N 1.87 1.55 -0.34 0.18 0.00 -1.15 -0.67 119.26 120.69 3imo h ALA 33 Ca -0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3imo h ALA 33 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3imo h ALA 33 CO 0.02 0.37 0.04 -0.07 0.00 0.00 0.00 179.25 179.61 3imo h LEU 34 N 0.95 0.55 -0.81 0.00 3.38 -1.58 -0.80 115.31 116.99 3imo h LEU 34 Ca 0.32 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3imo h LEU 34 Cb 0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3imo h LEU 34 CO -0.10 0.68 0.29 0.00 0.09 0.00 0.00 178.44 179.40 3imo h ALA 35 N 0.89 1.05 -0.32 1.53 0.00 -1.54 -2.25 119.26 118.62 3imo h ALA 35 Ca 0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3imo h ALA 35 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3imo h ALA 35 CO 0.01 0.66 -0.09 -0.07 0.00 0.00 0.00 179.25 179.76 3imo h LEU 36 N 1.13 0.51 -0.40 0.00 3.38 -1.01 -0.45 115.31 118.48 3imo h LEU 36 Ca 0.26 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3imo h LEU 36 Cb 0.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3imo h LEU 36 CO -0.02 0.64 0.15 0.00 0.09 0.00 0.00 178.44 179.31 3imo h ALA 37 N 1.41 0.51 -0.53 1.53 0.00 -0.60 -0.03 119.26 121.56 3imo h ALA 37 Ca 0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3imo h ALA 37 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3imo h ALA 37 CO 0.02 0.13 -0.02 0.78 0.00 0.00 0.00 179.25 180.17 3imo h GLY 38 N 0.49 1.02 1.05 0.00 0.00 -1.11 -2.68 103.07 101.85 3imo h GLY 38 Ca 0.13 -0.77 -0.08 0.00 0.00 0.00 0.00 47.33 46.61 3imo h GLY 38 CO -0.01 0.70 0.03 0.00 0.00 0.00 0.00 176.54 177.26 3imo h ALA 39 N 0.94 0.77 -0.38 3.60 0.00 -0.82 0.36 119.26 123.74 3imo h ALA 39 Ca 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3imo h ALA 39 Cb 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3imo h ALA 39 CO 0.03 0.58 0.12 0.82 0.00 0.00 0.00 179.25 180.79 3imo h ILE 40 N 0.89 1.21 -0.02 0.00 2.04 -1.01 -2.64 117.51 117.98 3imo h ILE 40 Ca 0.17 -0.71 -0.09 0.00 1.00 0.00 0.00 64.86 65.23 3imo h ILE 40 Cb 0.51 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3imo h ILE 40 CO 0.02 0.25 -0.39 -0.07 0.00 0.00 0.00 178.15 177.96 3imo h LEU 41 N 0.47 0.05 -0.02 1.44 3.38 -1.28 -1.84 115.31 117.51 3imo h LEU 41 Ca 0.12 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3imo h LEU 41 Cb 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3imo h LEU 41 CO -0.00 0.44 -0.02 -0.25 0.09 0.00 0.00 178.44 178.71 3imo h TRP 42 N 0.04 -0.04 -0.01 1.13 7.01 -0.73 -3.33 115.95 120.03 3imo h TRP 42 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3imo h TRP 42 Cb 0.72 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.80 3imo h TRP 42 CO 0.00 -0.03 -0.68 0.54 -2.79 0.00 0.00 178.44 175.48 3imo n ARG 43 N -5.12 0.94 -1.89 2.65 5.12 -1.01 -5.00 116.66 112.35 3imo n ARG 43 Ca -0.06 -0.47 -0.40 0.00 -1.93 0.00 0.00 57.85 54.99 3imo n ARG 43 Cb 0.05 -1.42 0.01 0.00 -1.16 0.00 0.00 32.46 29.94 3imo n ARG 43 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3imo s LYS 44 N -2.58 3.82 1.18 5.56 -2.85 -0.70 -4.58 119.74 119.58 3imo s LYS 44 Ca 0.12 2.34 -0.19 0.00 -1.00 0.00 0.00 55.97 57.24 3imo s LYS 44 Cb 0.16 -2.72 0.28 0.00 -2.06 0.00 0.00 37.83 33.49 3imo s LYS 44 CO 0.67 -0.68 1.15 -0.51 0.10 0.00 0.00 175.35 176.07 3imo s ASP 45 N -0.56 1.17 0.30 0.03 1.01 -0.08 -4.97 116.67 113.56 3imo s ASP 45 Ca 0.59 0.54 -0.01 0.00 0.71 0.00 0.00 52.55 54.38 3imo s ASP 45 Cb -0.42 -0.73 0.45 0.00 1.01 0.00 0.00 42.92 43.23 3imo s ASP 45 CO 0.54 -3.96 1.88 0.44 0.21 0.00 0.00 175.17 174.28 3imo h ASP 46 N -2.47 0.78 -1.52 0.27 3.32 -1.95 -3.45 116.42 111.40 3imo h ASP 46 Ca -0.44 -0.10 -0.67 0.00 0.02 0.00 0.00 57.03 55.83 3imo h ASP 46 Cb 1.28 -0.20 0.09 0.00 0.22 0.00 0.00 39.33 40.72 3imo h ASP 46 CO 0.33 0.71 -0.10 0.41 -1.72 0.00 0.00 179.24 178.87 3imo n THR 47 N -4.32 1.36 -2.17 0.35 -1.04 -1.26 -4.88 114.28 102.32 3imo n THR 47 Ca 0.05 -0.34 -0.41 0.00 -2.04 0.00 0.00 64.05 61.31 3imo n THR 47 Cb 0.17 -0.41 -0.02 0.00 -1.82 0.00 0.00 70.33 68.24 3imo n THR 47 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3imo s ASN 48 N -0.48 6.85 0.38 8.00 0.01 -1.26 -4.77 114.94 123.66 3imo s ASN 48 Ca 0.70 2.61 -0.27 0.00 -0.71 0.00 0.00 52.86 55.19 3imo s ASN 48 Cb -0.92 -2.64 -0.11 0.00 0.41 0.00 0.00 41.25 37.98 3imo s ASN 48 CO 0.56 -0.48 1.30 -0.38 -1.51 0.00 0.00 177.10 176.58 3imo n ILE 49 N 0.99 2.21 -4.43 0.60 5.41 -1.26 -4.87 119.36 118.02 3imo n ILE 49 Ca 0.00 -0.50 -0.20 0.00 1.00 0.00 0.00 62.75 63.05 3imo n ILE 49 Cb 0.42 -1.60 -0.14 0.00 -0.71 0.00 0.00 39.64 37.62 3imo n ILE 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3imo s LYS 50 N -2.02 0.97 -0.19 0.38 1.02 -0.97 -1.24 119.74 117.69 3imo s LYS 50 Ca 0.57 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.91 3imo s LYS 50 Cb -0.54 -0.96 0.03 0.00 -0.52 0.00 0.00 37.83 35.84 3imo s LYS 50 CO 0.61 0.25 -0.17 0.08 -0.92 0.00 0.00 175.35 175.20 3imo s VAL 51 N -0.68 1.96 -0.14 3.17 1.01 -0.11 -0.03 120.40 125.57 3imo s VAL 51 Ca 0.03 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 3imo s VAL 51 Cb -0.07 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3imo s VAL 51 CO 0.01 0.41 0.05 -0.04 0.00 0.00 0.00 175.10 175.53 3imo s MET 52 N 1.30 3.59 -0.18 2.72 1.00 0.03 -0.72 119.30 127.04 3imo s MET 52 Ca 0.02 -0.34 0.01 0.00 0.00 0.00 0.00 55.69 55.39 3imo s MET 52 Cb -0.14 -3.07 0.03 0.00 0.00 0.00 0.00 34.83 31.65 3imo s MET 52 CO -0.11 0.48 -0.15 0.00 0.00 0.00 0.00 175.02 175.24 3imo s ALA 53 N -0.21 2.11 -0.65 3.03 0.00 0.29 -0.47 121.76 125.86 3imo s ALA 53 Ca 0.07 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.90 3imo s ALA 53 Cb -0.12 -1.20 0.37 0.00 0.00 0.00 0.00 23.12 22.16 3imo s ALA 53 CO 0.01 -0.56 1.36 1.58 0.00 0.00 0.00 175.76 178.15 3imo n HIS 54 N 4.67 3.41 0.00 0.00 -0.00 -1.23 -1.38 115.22 120.69 3imo n HIS 54 Ca -0.17 -3.12 0.00 0.00 0.46 0.00 0.00 57.72 54.89 3imo n HIS 54 Cb 0.48 -0.59 0.00 0.00 -0.12 0.00 0.00 29.99 29.76 3imo n HIS 54 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3imo n GLY 55 N -0.36 0.13 0.00 1.57 0.00 -1.26 -4.79 105.19 100.48 3imo n GLY 55 Ca 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3imo n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imo n ALA 56 N -0.84 0.00 0.00 4.61 0.00 -1.26 -4.87 120.51 118.15 3imo n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3imo n ALA 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3imo n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3imo n ASP 57 N 1.88 0.00 -0.06 0.00 9.92 -1.26 -2.68 116.55 124.34 3imo n ASP 57 Ca 0.00 0.15 -0.21 0.00 -0.53 0.00 0.00 54.79 54.20 3imo n ASP 57 Cb 0.00 -0.15 -0.13 0.00 -0.64 0.00 0.00 41.12 40.20 3imo n ASP 57 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3imo n THR 58 N -1.08 1.64 -2.61 -3.53 -1.04 -1.26 -4.63 114.28 101.77 3imo n THR 58 Ca 0.00 -0.54 -0.42 0.00 -2.04 0.00 0.00 64.05 61.05 3imo n THR 58 Cb 0.04 -1.67 0.01 0.00 -1.82 0.00 0.00 70.33 66.90 3imo n THR 58 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3imo n LYS 59 N -3.56 4.87 -2.64 -2.82 5.02 -1.09 -5.01 118.16 112.92 3imo n LYS 59 Ca -0.39 -4.34 -0.39 0.00 -2.02 0.00 0.00 58.31 51.18 3imo n LYS 59 Cb 0.98 -2.55 -0.05 0.00 -0.02 0.00 0.00 35.03 33.39 3imo n LYS 59 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3imo s ASN 60 N -1.00 7.30 -0.08 4.39 -0.87 -1.26 -3.55 114.94 119.87 3imo s ASN 60 Ca 0.39 2.02 0.00 0.00 -1.57 0.00 0.00 52.86 53.71 3imo s ASN 60 Cb 0.14 -2.60 0.02 0.00 -0.02 0.00 0.00 41.25 38.79 3imo s ASN 60 CO -0.04 -0.11 -0.06 -0.69 -2.57 0.00 0.00 177.10 173.63 3imo s VAL 61 N -1.38 0.78 -0.08 1.60 1.01 0.38 -4.56 120.40 118.15 3imo s VAL 61 Ca 0.48 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 3imo s VAL 61 Cb -0.25 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 3imo s VAL 61 CO 0.31 0.31 0.47 -0.22 0.00 0.00 0.00 175.10 175.97 3imo s LEU 62 N 1.39 4.33 -0.09 3.92 0.20 0.13 -0.79 118.68 127.77 3imo s LEU 62 Ca -0.02 0.87 0.02 0.00 0.69 0.00 0.00 54.13 55.69 3imo s LEU 62 Cb -0.13 -2.69 -0.02 0.00 -0.43 0.00 0.00 46.19 42.92 3imo s LEU 62 CO -0.03 0.08 -0.17 0.26 -0.29 0.00 0.00 176.35 176.20 3imo s TRP 63 N 0.18 2.69 0.01 5.38 0.52 0.95 -0.60 118.94 128.08 3imo s TRP 63 Ca 0.26 -0.55 -0.00 0.00 0.02 0.00 0.00 56.10 55.82 3imo s TRP 63 Cb -0.16 -1.72 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 3imo s TRP 63 CO 0.11 -0.11 -0.02 0.54 0.02 0.00 0.00 176.95 177.49 3imo s VAL 64 N -0.06 0.07 -0.17 4.03 0.11 -0.45 -2.29 120.40 121.64 3imo s VAL 64 Ca -0.04 -0.56 -0.07 0.00 -2.93 0.00 0.00 61.98 58.38 3imo s VAL 64 Cb -0.14 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 3imo s VAL 64 CO 0.04 -0.31 0.07 -0.89 -3.33 0.00 0.00 175.10 170.68 3imo s THR 65 N -0.90 4.84 -0.06 5.04 2.01 -1.26 -0.80 115.64 124.51 3imo s THR 65 Ca -0.10 -0.02 -0.00 0.00 0.31 0.00 0.00 61.69 61.88 3imo s THR 65 Cb -0.06 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.31 3imo s THR 65 CO -0.01 0.49 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.76 3imo s ILE 66 N 0.09 0.52 -1.42 1.82 1.01 0.01 -0.90 121.20 122.33 3imo s ILE 66 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.58 3imo s ILE 66 Cb -0.12 -0.60 0.06 0.00 0.01 0.00 0.00 42.46 41.81 3imo s ILE 66 CO 0.01 0.26 0.65 0.59 0.00 0.00 0.00 174.94 176.44 3imo n ASN 67 N 4.64 -4.60 0.00 3.58 3.02 -1.26 -1.50 115.26 119.14 3imo n ASN 67 Ca -0.15 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 3imo n ASN 67 Cb 0.50 -3.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 3imo n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3imo n GLY 68 N -1.40 0.97 3.70 7.41 0.00 -1.26 -5.02 105.19 109.59 3imo n GLY 68 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3imo n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3imo s GLU 69 N -0.05 2.94 0.13 1.61 0.41 -0.56 -5.10 118.70 118.08 3imo s GLU 69 Ca 0.00 -0.48 -0.18 0.00 -0.41 0.00 0.00 54.97 53.91 3imo s GLU 69 Cb 0.00 -2.77 -0.07 0.00 -1.78 0.00 0.00 34.13 29.51 3imo s GLU 69 CO 0.00 0.67 0.60 1.03 -0.49 0.00 0.00 175.26 177.07 3imo s ARG 70 N -1.21 4.15 -0.02 1.61 0.52 -1.26 -0.81 118.95 121.92 3imo s ARG 70 Ca 0.17 0.70 0.02 0.00 -0.52 0.00 0.00 55.73 56.09 3imo s ARG 70 Cb -0.11 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.29 3imo s ARG 70 CO 0.06 0.53 -0.08 0.71 0.02 0.00 0.00 175.30 176.55 3imo s TYR 71 N -1.31 0.81 -0.13 -0.53 2.02 0.01 -1.14 117.35 117.08 3imo s TYR 71 Ca 0.35 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.87 3imo s TYR 71 Cb -0.18 -0.59 -0.01 0.00 -0.40 0.00 0.00 41.96 40.79 3imo s TYR 71 CO 0.20 -0.08 -0.16 0.00 -1.57 0.00 0.00 175.55 173.93 3imo s ALA 72 N 0.19 2.49 -0.08 3.71 0.00 -0.10 -1.34 121.76 126.63 3imo s ALA 72 Ca -0.03 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.00 3imo s ALA 72 Cb -0.08 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 3imo s ALA 72 CO 0.00 0.16 -0.17 -0.06 0.00 0.00 0.00 175.76 175.69 3imo s PHE 73 N 0.51 2.67 0.12 0.00 0.08 0.24 -0.91 117.98 120.69 3imo s PHE 73 Ca -0.10 -0.50 -0.15 0.00 0.12 0.00 0.00 56.93 56.30 3imo s PHE 73 Cb -0.16 -1.70 0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3imo s PHE 73 CO 0.04 -0.07 0.37 -1.54 -0.10 0.00 0.00 175.22 173.92 3imo s SER 74 N -0.17 -0.19 -0.18 1.36 1.04 -0.73 -0.69 113.70 114.15 3imo s SER 74 Ca -0.01 -0.36 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 3imo s SER 74 Cb -0.14 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 3imo s SER 74 CO 0.03 -0.83 0.12 -0.47 0.98 0.00 0.00 173.24 173.07 3imo s TYR 75 N -3.79 3.43 -0.41 5.02 5.04 -1.26 0.03 117.35 125.41 3imo s TYR 75 Ca 0.03 0.34 -0.14 0.00 -2.44 0.00 0.00 57.07 54.86 3imo s TYR 75 Cb 0.02 -2.09 0.03 0.00 0.35 0.00 0.00 41.96 40.28 3imo s TYR 75 CO -0.12 0.39 0.28 1.21 -1.34 0.00 0.00 175.55 175.97 3imo s ASN 76 N -0.01 6.00 0.00 4.32 3.84 0.16 -4.95 114.94 124.31 3imo s ASN 76 Ca 0.09 -0.98 0.25 0.00 0.21 0.00 0.00 52.86 52.43 3imo s ASN 76 Cb -0.11 -2.12 1.23 0.00 -0.55 0.00 0.00 41.25 39.69 3imo s ASN 76 CO -0.00 -0.45 1.85 0.00 -2.79 0.00 0.00 177.10 175.70 3imo n HIS 77 N 5.12 0.00 -0.08 0.43 1.44 -1.26 -0.01 115.22 120.85 3imo n HIS 77 Ca -0.11 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.38 3imo n HIS 77 Cb 0.46 -0.35 -0.12 0.00 0.12 0.00 0.00 29.99 30.10 3imo n HIS 77 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3imo n SER 78 N -1.35 1.92 0.16 4.39 2.88 -1.26 -4.20 113.62 116.17 3imo n SER 78 Ca 0.10 0.37 0.12 0.00 -1.33 0.00 0.00 58.87 58.14 3imo n SER 78 Cb 0.23 -0.94 0.27 0.00 -0.75 0.00 0.00 64.21 63.02 3imo n SER 78 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3imo h SER 79 N -0.76 0.00 -5.68 -3.46 4.64 -1.99 -3.47 113.55 102.83 3imo h SER 79 Ca -0.38 -0.01 -0.34 0.00 -0.47 0.00 0.00 61.79 60.59 3imo h SER 79 Cb 1.48 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.74 3imo h SER 79 CO -0.16 0.00 -0.76 -0.62 -0.87 0.00 0.00 176.83 174.43 3imo n GLU 80 N -2.69 -6.84 -4.11 4.77 1.02 0.99 -5.02 120.64 108.76 3imo n GLU 80 Ca 0.05 0.85 -0.14 0.00 -0.02 0.00 0.00 57.16 57.89 3imo n GLU 80 Cb 0.48 -5.87 -0.11 0.00 -0.02 0.00 0.00 31.44 25.92 3imo n GLU 80 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3imo s LYS 81 N -5.50 0.65 -0.25 3.49 1.02 -1.05 -4.70 119.74 113.40 3imo s LYS 81 Ca 0.09 -0.87 -0.23 0.00 0.02 0.00 0.00 55.97 54.98 3imo s LYS 81 Cb -0.04 -0.45 -0.01 0.00 -0.52 0.00 0.00 37.83 36.81 3imo s LYS 81 CO 0.73 0.09 0.75 0.42 -0.92 0.00 0.00 175.35 176.41 3imo s ILE 82 N -1.55 4.90 -0.02 2.17 1.01 -0.19 -0.66 121.20 126.86 3imo s ILE 82 Ca -0.06 1.39 -0.15 0.00 0.00 0.00 0.00 60.65 61.83 3imo s ILE 82 Cb -0.09 -4.04 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 3imo s ILE 82 CO 0.01 -0.03 0.42 -1.61 0.00 0.00 0.00 174.94 173.72 3imo s GLU 83 N 2.70 3.99 -0.16 2.79 2.02 0.10 -0.73 118.70 129.41 3imo s GLU 83 Ca 0.31 0.42 0.01 0.00 0.02 0.00 0.00 54.97 55.73 3imo s GLU 83 Cb -0.15 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.83 3imo s GLU 83 CO 0.08 0.61 -0.17 1.41 0.02 0.00 0.00 175.26 177.21 3imo s MET 84 N -0.83 3.15 0.26 1.61 -2.45 -0.24 -1.77 119.30 119.03 3imo s MET 84 Ca 0.24 -0.78 0.11 0.00 -1.25 0.00 0.00 55.69 54.02 3imo s MET 84 Cb -0.16 -2.60 -0.05 0.00 1.25 0.00 0.00 34.83 33.27 3imo s MET 84 CO 0.13 -0.04 -0.17 1.03 1.05 0.00 0.00 175.02 177.02 3imo s ARG 85 N 0.93 1.76 -0.06 4.11 0.52 -0.09 -0.64 118.95 125.49 3imo s ARG 85 Ca -0.03 -1.66 0.04 0.00 -0.52 0.00 0.00 55.73 53.56 3imo s ARG 85 Cb -0.15 -1.86 -0.00 0.00 0.52 0.00 0.00 34.95 33.47 3imo s ARG 85 CO -0.03 0.35 -0.18 0.21 0.02 0.00 0.00 175.30 175.68 3imo s LYS 86 N -3.36 1.99 6.99 3.54 2.20 -1.26 -0.92 119.74 128.92 3imo s LYS 86 Ca 0.28 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 3imo s LYS 86 Cb -0.06 -1.67 0.00 0.00 -1.51 0.00 0.00 37.83 34.59 3imo s LYS 86 CO 0.15 0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.76 3imo n GLY 87 N 3.30 2.29 3.66 5.54 0.00 -0.29 -4.76 105.19 114.92 3imo n GLY 87 Ca -0.19 -0.12 -0.46 0.00 0.00 0.00 0.00 46.02 45.25 3imo n GLY 87 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3imo n ASN 88 N 9.89 2.85 0.06 1.61 3.02 -1.26 -4.87 115.26 126.56 3imo n ASN 88 Ca 0.00 1.11 0.12 0.00 -0.03 0.00 0.00 54.58 55.78 3imo n ASN 88 Cb 0.00 -1.41 0.47 0.00 -0.61 0.00 0.00 39.78 38.23 3imo n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3imo n ILE 89 N 2.82 0.54 -0.13 2.41 0.13 -1.26 -2.98 119.36 120.87 3imo n ILE 89 Ca 0.15 -0.00 0.11 0.00 -1.10 0.00 0.00 62.75 61.91 3imo n ILE 89 Cb 0.29 -0.75 0.30 0.00 -0.84 0.00 0.00 39.64 38.64 3imo n ILE 89 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3imo n GLN 90 N -1.90 2.59 -1.92 9.51 6.02 -1.26 -4.93 117.38 125.49 3imo n GLN 90 Ca 0.05 -2.46 -0.29 0.00 -0.01 0.00 0.00 57.00 54.28 3imo n GLN 90 Cb 0.32 -1.54 0.12 0.00 1.02 0.00 0.00 30.24 30.16 3imo n GLN 90 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3imo s GLY 91 N -1.07 1.66 0.82 1.08 0.00 -1.16 -5.05 107.32 103.60 3imo s GLY 91 Ca 0.45 -0.84 -0.10 0.00 0.00 0.00 0.00 44.72 44.23 3imo s GLY 91 CO 0.32 -0.26 1.11 -1.31 0.00 0.00 0.00 173.10 172.96 3imo s ASN 92 N -4.68 3.91 0.62 1.64 0.01 -1.26 -5.00 114.94 110.17 3imo s ASN 92 Ca 0.66 1.97 -0.17 0.00 -0.71 0.00 0.00 52.86 54.61 3imo s ASN 92 Cb -0.09 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 3imo s ASN 92 CO 0.50 -2.44 1.14 0.42 -1.51 0.00 0.00 177.10 175.21 3imo s THR 93 N -2.78 3.01 -0.12 1.60 -4.23 -1.26 -4.66 115.64 107.19 3imo s THR 93 Ca 0.64 0.55 0.17 0.00 -1.18 0.00 0.00 61.69 61.87 3imo s THR 93 Cb -0.19 -3.13 -0.25 0.00 1.34 0.00 0.00 72.50 70.26 3imo s THR 93 CO 0.56 -0.21 0.20 2.30 -0.54 0.00 0.00 174.62 176.93 3imo n ILE 94 N -1.93 0.75 -3.82 2.99 -5.35 0.19 -4.99 119.36 107.20 3imo n ILE 94 Ca 0.12 -0.64 -0.11 0.00 -0.27 0.00 0.00 62.75 61.85 3imo n ILE 94 Cb 0.51 -0.30 -0.09 0.00 -1.74 0.00 0.00 39.64 38.03 3imo n ILE 94 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3imo s HIS 95 N -2.78 -0.02 -0.09 4.28 3.76 -1.17 -5.04 115.29 114.23 3imo s HIS 95 Ca -0.08 -0.10 0.01 0.00 -0.15 0.00 0.00 55.06 54.75 3imo s HIS 95 Cb 0.08 0.01 0.02 0.00 1.11 0.00 0.00 32.58 33.80 3imo s HIS 95 CO 0.76 -0.41 -0.11 -1.21 -0.85 0.00 0.00 174.74 172.92 3imo s GLU 96 N -2.09 1.70 -0.06 1.40 2.02 -1.26 -1.08 118.70 119.32 3imo s GLU 96 Ca -0.09 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.55 3imo s GLU 96 Cb -0.03 -1.53 -0.03 0.00 0.10 0.00 0.00 34.13 32.64 3imo s GLU 96 CO -0.01 -0.10 -0.10 -0.06 0.02 0.00 0.00 175.26 175.01 3imo s PHE 97 N 1.09 2.83 0.00 1.61 0.08 0.09 -4.93 117.98 118.76 3imo s PHE 97 Ca -0.06 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.93 3imo s PHE 97 Cb -0.14 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 3imo s PHE 97 CO -0.02 0.27 0.00 -0.40 -0.10 0.00 0.00 175.22 174.97 3imo n ASP 98 N 2.26 0.00 0.31 1.36 5.68 -1.26 -1.02 116.55 123.89 3imo n ASP 98 Ca -0.18 -0.67 0.21 0.00 -0.50 0.00 0.00 54.79 53.65 3imo n ASP 98 Cb 0.53 0.00 1.01 0.00 -1.14 0.00 0.00 41.12 41.51 3imo n ASP 98 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3imo h ASN 99 N 0.00 0.00 0.18 -1.12 2.35 -1.38 -1.88 115.58 113.72 3imo h ASN 99 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3imo h ASN 99 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3imo h ASN 99 CO 0.00 0.00 -0.26 -1.54 -1.65 0.00 0.00 177.43 173.98 3imo n SER 100 N -3.11 1.23 -4.66 5.81 3.41 -1.26 -4.84 113.62 110.21 3imo n SER 100 Ca -0.02 -1.04 -0.42 0.00 -0.26 0.00 0.00 58.87 57.13 3imo n SER 100 Cb 0.16 0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 3imo n SER 100 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3imo s THR 101 N -2.45 3.03 0.29 6.66 2.01 -0.71 -4.93 115.64 119.54 3imo s THR 101 Ca 0.25 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 3imo s THR 101 Cb 0.19 -3.02 -0.12 0.00 0.01 0.00 0.00 72.50 69.56 3imo s THR 101 CO 0.51 -0.00 1.58 -2.65 -0.69 0.00 0.00 174.62 173.36 3imo n PRO 102 N 7.60 2.64 0.19 4.92 -0.02 -1.26 -4.87 135.00 144.20 3imo n PRO 102 Ca 0.20 0.94 0.03 0.00 -2.02 0.00 0.00 63.50 62.65 3imo n PRO 102 Cb 0.41 -2.71 0.39 0.00 -0.02 0.00 0.00 33.50 31.58 3imo n PRO 102 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3imo h LEU 103 N 4.69 0.00 -1.14 2.45 3.38 -1.96 -1.53 115.31 121.20 3imo h LEU 103 Ca -0.47 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 3imo h LEU 103 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3imo h LEU 103 CO 0.79 0.33 0.01 0.77 0.09 0.00 0.00 178.44 180.43 3imo h SER 104 N 0.00 0.58 0.02 -0.43 4.64 -1.99 -0.30 113.55 116.06 3imo h SER 104 Ca -0.00 -0.11 -0.19 0.00 -0.47 0.00 0.00 61.79 61.01 3imo h SER 104 Cb 0.59 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3imo h SER 104 CO 0.04 0.64 -0.69 0.50 -0.87 0.00 0.00 176.83 176.46 3imo h LYS 105 N 0.58 0.61 -0.59 4.77 1.63 -1.67 -1.19 116.57 120.71 3imo h LYS 105 Ca 0.12 -0.46 -0.06 0.00 -0.85 0.00 0.00 60.65 59.40 3imo h LYS 105 Cb 0.35 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 3imo h LYS 105 CO 0.01 1.08 0.13 1.25 -3.45 0.00 0.00 179.45 178.47 3imo h LEU 106 N 0.44 0.91 -0.40 5.20 6.46 -0.95 -0.75 115.31 126.22 3imo h LEU 106 Ca -0.02 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.47 3imo h LEU 106 Cb 1.27 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.95 3imo h LEU 106 CO 0.13 0.92 0.15 0.58 -0.62 0.00 0.00 178.44 179.60 3imo h VAL 107 N 0.86 1.20 -0.43 1.05 2.07 -0.97 -2.21 116.25 117.83 3imo h VAL 107 Ca 0.18 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.11 3imo h VAL 107 Cb 0.37 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3imo h VAL 107 CO 0.01 0.23 0.16 -0.08 0.02 0.00 0.00 177.57 177.91 3imo h GLU 108 N 0.50 0.33 0.22 1.57 4.81 -0.95 0.14 114.58 121.20 3imo h GLU 108 Ca 0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3imo h GLU 108 Cb 0.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3imo h GLU 108 CO -0.01 0.22 -0.10 0.82 -0.73 0.00 0.00 179.01 179.21 3imo h ILE 109 N 0.34 0.79 -0.19 2.32 2.04 -0.99 -2.41 117.51 119.41 3imo h ILE 109 Ca 0.20 -0.02 -0.11 0.00 1.00 0.00 0.00 64.86 65.92 3imo h ILE 109 Cb 0.17 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3imo h ILE 109 CO -0.19 0.01 -0.37 -0.26 0.00 0.00 0.00 178.15 177.33 3imo h PHE 110 N -0.30 0.48 -0.40 1.37 -1.00 -1.19 -2.09 116.94 113.80 3imo h PHE 110 Ca -0.03 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 60.63 3imo h PHE 110 Cb 0.23 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 3imo h PHE 110 CO -0.06 0.73 0.27 -0.22 -1.61 0.00 0.00 178.31 177.42 3imo h LYS 111 N 0.35 0.50 0.00 1.51 3.64 -0.57 -2.76 116.57 119.24 3imo h LYS 111 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3imo h LYS 111 Cb 0.81 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3imo h LYS 111 CO 0.07 0.33 -0.33 0.41 -2.27 0.00 0.00 179.45 177.66 3imo n GLY 112 N -1.48 -1.46 0.00 5.01 0.00 -0.80 -5.10 105.19 101.36 3imo n GLY 112 Ca 0.03 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.93 3imo n GLY 112 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36