#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg2 n GLU 1 N 0.00 1.99 -1.53 -1.08 2.13 -1.26 -4.85 120.64 116.04 1xg2 n GLU 1 Ca 0.00 0.70 -0.55 0.00 0.66 0.00 0.00 57.16 57.97 1xg2 n GLU 1 Cb 0.00 -2.26 -0.08 0.00 0.27 0.00 0.00 31.44 29.37 1xg2 n GLU 1 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1xg2 n ASN 2 N 0.76 2.05 0.27 4.31 2.85 -1.26 -4.80 115.26 119.44 1xg2 n ASN 2 Ca 0.06 0.73 0.15 0.00 -0.11 0.00 0.00 54.58 55.40 1xg2 n ASN 2 Cb 0.36 -1.16 0.87 0.00 1.24 0.00 0.00 39.78 41.09 1xg2 n ASN 2 CO 0.00 0.00 0.00 1.12 -2.11 0.00 0.00 177.26 176.27 1xg2 h HIS 3 N 9.77 0.00 -0.21 1.20 2.07 -1.97 -1.70 115.15 124.32 1xg2 h HIS 3 Ca -0.33 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.16 1xg2 h HIS 3 Cb 1.33 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.30 1xg2 h HIS 3 CO 0.89 0.00 -0.00 -0.07 -3.07 0.00 0.00 177.93 175.67 1xg2 h LEU 4 N 0.00 0.27 -1.44 6.12 3.38 -1.95 -2.14 115.31 119.56 1xg2 h LEU 4 Ca 0.02 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1xg2 h LEU 4 Cb 0.12 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1xg2 h LEU 4 CO -0.00 0.33 0.41 0.40 0.09 0.00 0.00 178.44 179.67 1xg2 h ILE 5 N 0.30 1.09 0.00 1.22 2.04 -1.68 -0.97 117.51 119.51 1xg2 h ILE 5 Ca 0.07 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1xg2 h ILE 5 Cb 0.21 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1xg2 h ILE 5 CO 0.00 0.14 0.00 0.77 0.00 0.00 0.00 178.15 179.06 1xg2 h SER 6 N 0.74 0.00 0.94 1.72 4.64 -1.52 -1.86 113.55 118.21 1xg2 h SER 6 Ca 0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.53 1xg2 h SER 6 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1xg2 h SER 6 CO -0.07 0.00 -1.09 -0.33 -0.87 0.00 0.00 176.83 174.47 1xg2 h GLU 7 N 0.00 0.00 0.00 4.77 5.08 -1.24 -3.41 114.58 119.78 1xg2 h GLU 7 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xg2 h GLU 7 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1xg2 h GLU 7 CO 0.00 0.07 -0.51 -0.89 -1.00 0.00 0.00 179.01 176.68 1xg2 n ILE 8 N -2.73 1.15 -0.17 3.13 5.41 -0.84 -4.47 119.36 120.84 1xg2 n ILE 8 Ca -0.02 0.26 -0.04 0.00 1.00 0.00 0.00 62.75 63.94 1xg2 n ILE 8 Cb 0.62 -2.21 0.05 0.00 -0.71 0.00 0.00 39.64 37.39 1xg2 n ILE 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xg2 h PRO 10 N 0.53 0.00 -0.00 0.00 0.11 -1.79 -1.96 132.00 128.89 1xg2 h PRO 10 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1xg2 h PRO 10 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1xg2 h PRO 10 CO -0.14 0.00 -0.30 1.63 -0.21 0.00 0.00 178.00 178.97 1xg2 n LYS 11 N -3.60 0.16 -2.48 1.05 5.02 -0.66 -4.91 118.16 112.74 1xg2 n LYS 11 Ca -0.01 -0.07 -0.26 0.00 -2.02 0.00 0.00 58.31 55.95 1xg2 n LYS 11 Cb 0.18 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1xg2 n LYS 11 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xg2 s THR 12 N -2.89 3.69 -0.55 -0.18 -4.23 -0.73 -4.99 115.64 105.76 1xg2 s THR 12 Ca 0.15 -0.07 0.26 0.00 -1.18 0.00 0.00 61.69 60.85 1xg2 s THR 12 Cb 0.18 -3.45 0.30 0.00 1.34 0.00 0.00 72.50 70.87 1xg2 s THR 12 CO 0.61 -0.44 1.75 0.08 -0.54 0.00 0.00 174.62 176.08 1xg2 h ARG 13 N -0.09 0.00 -2.54 3.99 0.11 -1.89 -3.35 114.38 110.60 1xg2 h ARG 13 Ca -0.45 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.03 1xg2 h ARG 13 Cb 1.26 0.00 -0.39 0.00 1.11 0.00 0.00 29.97 31.95 1xg2 h ARG 13 CO 0.60 0.00 -0.88 1.21 0.10 0.00 0.00 179.97 181.00 1xg2 s ASN 14 N -4.95 2.27 0.44 0.08 3.84 -1.26 -4.99 114.94 110.37 1xg2 s ASN 14 Ca 0.08 -3.23 0.13 0.00 0.21 0.00 0.00 52.86 50.05 1xg2 s ASN 14 Cb 0.10 -0.72 1.03 0.00 -0.55 0.00 0.00 41.25 41.10 1xg2 s ASN 14 CO 0.57 -0.15 2.00 -0.65 -2.79 0.00 0.00 177.10 176.08 1xg2 h PRO 15 N 5.63 0.39 -0.42 0.43 0.11 -1.71 -1.29 132.00 135.13 1xg2 h PRO 15 Ca 0.23 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 1xg2 h PRO 15 Cb 0.87 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 1xg2 h PRO 15 CO 0.45 0.26 0.09 0.77 -0.21 0.00 0.00 178.00 179.36 1xg2 h SER 16 N 0.40 0.64 -0.35 -2.05 0.02 -1.94 -1.53 113.55 108.74 1xg2 h SER 16 Ca 0.24 -0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 1xg2 h SER 16 Cb 0.43 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1xg2 h SER 16 CO -0.06 0.72 -0.15 0.25 -1.14 0.00 0.00 176.83 176.44 1xg2 h LEU 17 N 0.54 0.75 -0.36 5.07 5.85 -1.88 -2.05 115.31 123.23 1xg2 h LEU 17 Ca 0.13 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.52 1xg2 h LEU 17 Cb 0.33 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1xg2 h LEU 17 CO 0.00 0.98 -0.09 0.00 -0.34 0.00 0.00 178.44 178.99 1xg2 h LEU 19 N -0.00 0.22 -0.80 0.00 5.85 -1.15 -0.64 115.31 118.79 1xg2 h LEU 19 Ca 0.17 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1xg2 h LEU 19 Cb 0.27 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1xg2 h LEU 19 CO -0.37 0.16 0.49 -0.61 -0.34 0.00 0.00 178.44 177.77 1xg2 h GLN 20 N 0.29 0.89 -0.09 1.25 4.15 -0.98 0.57 115.11 121.18 1xg2 h GLN 20 Ca 0.10 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1xg2 h GLN 20 Cb 0.01 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 1xg2 h GLN 20 CO -0.05 0.59 -0.04 0.00 -1.93 0.00 0.00 178.83 177.39 1xg2 h ALA 21 N 1.37 0.13 -0.26 3.38 0.00 -0.60 -2.47 119.26 120.82 1xg2 h ALA 21 Ca 0.34 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1xg2 h ALA 21 Cb 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xg2 h ALA 21 CO -0.16 -0.11 -0.36 -0.07 0.00 0.00 0.00 179.25 178.55 1xg2 h LEU 22 N -0.17 0.60 -0.39 0.00 3.38 -0.94 -2.67 115.31 115.12 1xg2 h LEU 22 Ca 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1xg2 h LEU 22 Cb 0.48 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1xg2 h LEU 22 CO 0.01 0.90 0.00 -0.62 0.09 0.00 0.00 178.44 178.83 1xg2 n GLU 23 N -4.05 0.15 0.00 1.13 1.02 0.18 -2.51 120.64 116.55 1xg2 n GLU 23 Ca -0.01 0.32 0.12 0.00 -0.02 0.00 0.00 57.16 57.57 1xg2 n GLU 23 Cb 0.49 -1.75 0.56 0.00 -0.02 0.00 0.00 31.44 30.72 1xg2 n GLU 23 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1xg2 n SER 24 N -2.03 0.00 -4.59 1.62 3.41 -0.93 -4.63 113.62 106.47 1xg2 n SER 24 Ca 0.03 0.29 -0.43 0.00 -0.26 0.00 0.00 58.87 58.51 1xg2 n SER 24 Cb 0.26 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 1xg2 n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xg2 s ASP 25 N -2.84 6.59 0.63 4.04 -1.08 -1.04 -4.92 116.67 118.04 1xg2 s ASP 25 Ca 0.16 0.34 0.41 0.00 -0.52 0.00 0.00 52.55 52.95 1xg2 s ASP 25 Cb 0.16 -2.48 2.25 0.00 -1.46 0.00 0.00 42.92 41.39 1xg2 s ASP 25 CO 0.42 -1.06 2.27 1.55 0.52 0.00 0.00 175.17 178.87 1xg2 h PRO 26 N 8.96 0.00 -0.28 4.34 0.13 -1.89 -1.97 132.00 141.29 1xg2 h PRO 26 Ca -0.23 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.73 1xg2 h PRO 26 Cb 1.07 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.10 1xg2 h PRO 26 CO 1.05 0.00 -0.27 0.54 -0.23 0.00 0.00 178.00 179.09 1xg2 n ARG 27 N -2.97 1.92 -0.19 0.86 1.74 -1.26 -4.76 116.66 112.00 1xg2 n ARG 27 Ca -0.03 -3.33 0.00 0.00 -0.77 0.00 0.00 57.85 53.73 1xg2 n ARG 27 Cb 0.09 -1.80 0.10 0.00 -1.02 0.00 0.00 32.46 29.82 1xg2 n ARG 27 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xg2 h SER 28 N 1.13 -0.07 0.33 0.55 0.87 -1.66 -0.08 113.55 114.62 1xg2 h SER 28 Ca 0.17 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1xg2 h SER 28 Cb 1.41 0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1xg2 h SER 28 CO 0.32 -0.02 -0.15 0.00 -0.53 0.00 0.00 176.83 176.45 1xg2 h ALA 29 N 1.48 1.37 -0.00 6.23 0.00 -1.87 -1.88 119.26 124.59 1xg2 h ALA 29 Ca 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xg2 h ALA 29 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xg2 h ALA 29 CO -0.42 0.18 -0.02 -1.13 0.00 0.00 0.00 179.25 177.86 1xg2 n SER 30 N -3.80 0.25 -4.78 0.00 3.41 -0.04 -4.90 113.62 103.75 1xg2 n SER 30 Ca -0.02 -0.73 -0.38 0.00 -0.26 0.00 0.00 58.87 57.48 1xg2 n SER 30 Cb 0.25 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 1xg2 n SER 30 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xg2 s LYS 31 N -2.25 4.16 0.42 4.33 -0.14 -0.71 -5.07 119.74 120.47 1xg2 s LYS 31 Ca 0.38 0.46 -0.01 0.00 -1.36 0.00 0.00 55.97 55.44 1xg2 s LYS 31 Cb 0.21 -3.33 0.09 0.00 -1.68 0.00 0.00 37.83 33.12 1xg2 s LYS 31 CO 0.41 0.43 0.58 -0.40 -0.76 0.00 0.00 175.35 175.61 1xg2 n ASP 32 N 2.69 0.68 -0.26 2.83 5.68 -1.26 -4.81 116.55 122.11 1xg2 n ASP 32 Ca -0.10 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 1xg2 n ASP 32 Cb 0.52 -0.38 0.12 0.00 -1.14 0.00 0.00 41.12 40.24 1xg2 n ASP 32 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1xg2 h LEU 33 N 0.00 0.61 -0.50 -2.12 3.38 -1.99 -0.64 115.31 114.05 1xg2 h LEU 33 Ca -0.19 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1xg2 h LEU 33 Cb 0.68 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1xg2 h LEU 33 CO 0.20 0.38 0.27 0.11 0.09 0.00 0.00 178.44 179.48 1xg2 h LYS 34 N 0.74 0.70 -0.68 1.13 1.57 -1.97 -0.30 116.57 117.77 1xg2 h LYS 34 Ca 0.34 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1xg2 h LYS 34 Cb 0.25 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1xg2 h LYS 34 CO -0.21 0.55 0.44 0.78 -0.57 0.00 0.00 179.45 180.44 1xg2 h GLY 35 N 0.67 0.96 1.21 3.86 0.00 -1.72 -1.04 103.07 107.00 1xg2 h GLY 35 Ca 0.18 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1xg2 h GLY 35 CO -0.03 0.36 0.10 1.41 0.00 0.00 0.00 176.54 178.38 1xg2 h LEU 36 N 0.92 0.92 -0.06 3.11 3.38 -0.87 -2.33 115.31 120.39 1xg2 h LEU 36 Ca 0.25 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1xg2 h LEU 36 Cb -0.09 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1xg2 h LEU 36 CO -0.05 0.92 -0.09 1.23 0.09 0.00 0.00 178.44 180.54 1xg2 h GLY 37 N 1.02 -0.05 1.27 0.83 0.00 -0.60 -0.27 103.07 105.28 1xg2 h GLY 37 Ca 0.19 0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 1xg2 h GLY 37 CO 0.01 -0.10 0.19 1.46 0.00 0.00 0.00 176.54 178.10 1xg2 h GLN 38 N -0.13 0.92 -0.43 4.80 1.08 -1.08 -0.39 115.11 119.89 1xg2 h GLN 38 Ca 0.06 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.03 1xg2 h GLN 38 Cb 0.21 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1xg2 h GLN 38 CO -0.14 0.79 0.07 0.35 -0.95 0.00 0.00 178.83 178.96 1xg2 h PHE 39 N 0.89 0.76 -0.17 2.96 3.57 -1.14 -1.90 116.94 121.90 1xg2 h PHE 39 Ca 0.20 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.47 1xg2 h PHE 39 Cb 0.25 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1xg2 h PHE 39 CO 0.02 0.73 -0.44 0.66 -2.23 0.00 0.00 178.31 177.04 1xg2 h SER 40 N 0.58 0.45 -0.43 0.41 4.64 -0.61 -1.46 113.55 117.12 1xg2 h SER 40 Ca 0.13 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 1xg2 h SER 40 Cb 0.37 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1xg2 h SER 40 CO 0.01 0.84 0.05 0.40 -0.87 0.00 0.00 176.83 177.26 1xg2 h ILE 41 N 0.34 1.25 -0.68 0.95 2.04 -0.93 -1.55 117.51 118.94 1xg2 h ILE 41 Ca 0.02 -0.93 0.05 0.00 1.00 0.00 0.00 64.86 65.01 1xg2 h ILE 41 Cb 0.92 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1xg2 h ILE 41 CO 0.08 0.32 0.40 0.44 0.00 0.00 0.00 178.15 179.39 1xg2 h ASP 42 N 0.58 0.62 -0.32 1.72 3.32 -0.93 0.62 116.42 122.04 1xg2 h ASP 42 Ca 0.13 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1xg2 h ASP 42 Cb 0.41 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1xg2 h ASP 42 CO 0.01 0.41 0.14 0.40 -1.72 0.00 0.00 179.24 178.48 1xg2 h ILE 43 N 0.75 1.17 -0.42 0.35 1.08 -1.10 -1.65 117.51 117.69 1xg2 h ILE 43 Ca 0.29 -0.52 -0.04 0.00 -0.39 0.00 0.00 64.86 64.20 1xg2 h ILE 43 Cb 0.11 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 1xg2 h ILE 43 CO -0.15 0.18 0.11 0.00 -0.69 0.00 0.00 178.15 177.61 1xg2 h ALA 44 N 0.98 0.56 -0.75 1.87 0.00 -0.73 -2.32 119.26 118.87 1xg2 h ALA 44 Ca 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xg2 h ALA 44 Cb 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1xg2 h ALA 44 CO -0.01 0.23 0.26 0.37 0.00 0.00 0.00 179.25 180.09 1xg2 h GLN 45 N 0.55 1.16 -0.77 0.00 4.15 -0.81 -1.57 115.11 117.81 1xg2 h GLN 45 Ca 0.13 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.30 1xg2 h GLN 45 Cb 0.30 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 1xg2 h GLN 45 CO -0.00 0.97 0.39 0.00 -1.93 0.00 0.00 178.83 178.26 1xg2 h ALA 46 N 1.13 1.24 -0.17 3.38 0.00 -1.21 -0.30 119.26 123.33 1xg2 h ALA 46 Ca 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1xg2 h ALA 46 Cb 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xg2 h ALA 46 CO -0.01 0.60 0.03 1.03 0.00 0.00 0.00 179.25 180.89 1xg2 h SER 47 N 1.09 0.27 -0.94 0.00 0.87 -1.13 -1.62 113.55 112.09 1xg2 h SER 47 Ca 0.27 -0.26 0.06 0.00 -1.23 0.00 0.00 61.79 60.63 1xg2 h SER 47 Cb 0.07 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 61.90 1xg2 h SER 47 CO -0.04 0.46 0.61 0.00 -0.53 0.00 0.00 176.83 177.33 1xg2 h ALA 48 N 0.81 1.47 -0.37 6.23 0.00 -0.98 -0.86 119.26 125.56 1xg2 h ALA 48 Ca 0.05 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1xg2 h ALA 48 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xg2 h ALA 48 CO 0.00 0.40 -0.17 0.87 0.00 0.00 0.00 179.25 180.35 1xg2 h LYS 49 N 1.09 0.77 -0.77 0.00 1.57 -0.87 -1.11 116.57 117.25 1xg2 h LYS 49 Ca 0.40 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1xg2 h LYS 49 Cb 0.16 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1xg2 h LYS 49 CO -0.15 0.95 0.37 0.37 -0.57 0.00 0.00 179.45 180.43 1xg2 h GLN 50 N 0.56 1.10 -0.15 3.15 4.15 -0.86 -2.87 115.11 120.20 1xg2 h GLN 50 Ca 0.08 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.22 1xg2 h GLN 50 Cb 0.72 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1xg2 h GLN 50 CO 0.05 0.85 -0.44 1.15 -1.93 0.00 0.00 178.83 178.52 1xg2 h THR 51 N 1.08 1.32 -0.95 2.39 2.02 -0.93 -1.79 112.91 116.04 1xg2 h THR 51 Ca 0.26 -1.61 0.13 0.00 0.77 0.00 0.00 66.41 65.96 1xg2 h THR 51 Cb 0.11 1.69 -0.09 0.00 -1.74 0.00 0.00 68.15 68.12 1xg2 h THR 51 CO -0.03 0.49 0.57 -1.28 0.37 0.00 0.00 175.52 175.64 1xg2 h SER 52 N 0.30 0.80 0.04 4.18 0.87 -0.99 0.53 113.55 119.29 1xg2 h SER 52 Ca 0.02 0.06 -0.18 0.00 -1.23 0.00 0.00 61.79 60.47 1xg2 h SER 52 Cb 0.90 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1xg2 h SER 52 CO 0.07 0.40 -0.62 0.11 -0.53 0.00 0.00 176.83 176.27 1xg2 h LYS 53 N 0.87 0.57 -0.57 2.24 1.57 -1.24 -1.87 116.57 118.14 1xg2 h LYS 53 Ca 0.49 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1xg2 h LYS 53 Cb 0.56 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1xg2 h LYS 53 CO -0.30 1.01 0.37 0.82 -0.57 0.00 0.00 179.45 180.78 1xg2 h ILE 54 N 0.42 1.15 -0.41 1.86 2.04 -0.51 -1.18 117.51 120.89 1xg2 h ILE 54 Ca -0.01 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1xg2 h ILE 54 Cb 1.18 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1xg2 h ILE 54 CO 0.12 0.15 0.08 0.40 0.00 0.00 0.00 178.15 178.90 1xg2 h ILE 55 N 0.77 1.24 -0.95 -0.67 2.04 -0.83 -0.96 117.51 118.15 1xg2 h ILE 55 Ca 0.21 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 65.28 1xg2 h ILE 55 Cb -0.06 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 1xg2 h ILE 55 CO -0.04 0.29 0.61 0.00 0.00 0.00 0.00 178.15 179.01 1xg2 h ALA 56 N 0.94 1.32 -0.44 1.87 0.00 -1.12 -0.97 119.26 120.86 1xg2 h ALA 56 Ca 0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1xg2 h ALA 56 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xg2 h ALA 56 CO 0.01 0.39 -0.13 1.03 0.00 0.00 0.00 179.25 180.55 1xg2 h SER 57 N 1.11 0.87 -0.75 0.00 0.87 -0.80 -1.32 113.55 113.53 1xg2 h SER 57 Ca 0.41 -0.37 -0.05 0.00 -1.23 0.00 0.00 61.79 60.56 1xg2 h SER 57 Cb 0.17 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 1xg2 h SER 57 CO -0.17 1.04 0.29 -0.07 -0.53 0.00 0.00 176.83 177.39 1xg2 h LEU 58 N 0.69 1.04 -0.46 2.23 3.38 -0.72 -2.82 115.31 118.66 1xg2 h LEU 58 Ca 0.11 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xg2 h LEU 58 Cb 0.67 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1xg2 h LEU 58 CO 0.05 0.94 0.30 0.74 0.09 0.00 0.00 178.44 180.56 1xg2 h THR 59 N 1.09 1.12 0.00 0.22 2.02 -1.04 -2.99 112.91 113.33 1xg2 h THR 59 Ca 0.25 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1xg2 h THR 59 Cb 0.23 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1xg2 h THR 59 CO -0.02 0.12 0.00 -3.20 0.37 0.00 0.00 175.52 172.79 1xg2 n ASN 60 N -4.76 0.31 -0.32 4.18 5.15 -0.51 -1.54 115.26 117.77 1xg2 n ASN 60 Ca 0.02 0.61 0.03 0.00 -0.60 0.00 0.00 54.58 54.64 1xg2 n ASN 60 Cb 0.03 -0.66 0.07 0.00 -0.53 0.00 0.00 39.78 38.68 1xg2 n ASN 60 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xg2 n GLN 61 N -1.88 2.53 -4.17 1.20 10.64 -1.14 -5.02 117.38 119.54 1xg2 n GLN 61 Ca 0.01 -1.67 -0.33 0.00 -1.83 0.00 0.00 57.00 53.18 1xg2 n GLN 61 Cb 0.10 -1.14 -0.08 0.00 -0.86 0.00 0.00 30.24 28.26 1xg2 n GLN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xg2 s ALA 62 N -0.93 3.46 0.00 2.61 0.00 -0.59 -5.00 121.76 121.31 1xg2 s ALA 62 Ca 0.12 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1xg2 s ALA 62 Cb 0.06 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1xg2 s ALA 62 CO 0.08 0.67 0.00 0.25 0.00 0.00 0.00 175.76 176.76 1xg2 n THR 63 N 1.28 0.00 -1.96 0.00 -2.24 -1.26 -4.99 114.28 105.10 1xg2 n THR 63 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1xg2 n THR 63 Cb 0.53 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 1xg2 n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xg2 s ASP 64 N -1.90 6.43 0.34 3.42 2.15 -1.26 -4.90 116.67 120.96 1xg2 s ASP 64 Ca 0.00 2.06 0.08 0.00 0.43 0.00 0.00 52.55 55.11 1xg2 s ASP 64 Cb 0.00 -2.53 0.78 0.00 -0.30 0.00 0.00 42.92 40.87 1xg2 s ASP 64 CO 0.00 -1.15 1.86 -0.65 -0.17 0.00 0.00 175.17 175.06 1xg2 h PRO 65 N 10.60 0.72 -0.25 4.34 0.11 -1.99 -1.09 132.00 144.43 1xg2 h PRO 65 Ca -0.39 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1xg2 h PRO 65 Cb 1.18 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1xg2 h PRO 65 CO 0.97 0.47 -0.11 -0.22 -0.21 0.00 0.00 178.00 178.91 1xg2 h LYS 66 N 0.74 0.51 -0.51 1.05 3.64 -1.99 -1.40 116.57 118.61 1xg2 h LYS 66 Ca 0.46 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1xg2 h LYS 66 Cb 0.70 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1xg2 h LYS 66 CO -0.22 0.76 0.27 1.25 -2.27 0.00 0.00 179.45 179.24 1xg2 h LEU 67 N 0.24 0.64 -1.22 5.20 5.85 -1.84 -1.90 115.31 122.28 1xg2 h LEU 67 Ca 0.06 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1xg2 h LEU 67 Cb 0.60 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1xg2 h LEU 67 CO 0.03 0.56 0.34 0.11 -0.34 0.00 0.00 178.44 179.15 1xg2 h LYS 68 N 0.67 0.88 -0.31 1.25 1.57 -1.11 -0.98 116.57 118.53 1xg2 h LYS 68 Ca 0.18 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1xg2 h LYS 68 Cb 0.07 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1xg2 h LYS 68 CO -0.03 0.65 -0.16 0.78 -0.57 0.00 0.00 179.45 180.13 1xg2 h GLY 69 N 0.95 0.60 0.86 3.86 0.00 -0.84 0.04 103.07 108.54 1xg2 h GLY 69 Ca 0.23 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1xg2 h GLY 69 CO -0.04 0.41 -0.01 3.21 0.00 0.00 0.00 176.54 180.12 1xg2 h ARG 70 N 0.51 0.47 -0.51 4.80 3.08 -0.55 -2.10 114.38 120.07 1xg2 h ARG 70 Ca 0.09 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1xg2 h ARG 70 Cb 0.57 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 1xg2 h ARG 70 CO 0.04 0.64 0.15 1.88 -1.07 0.00 0.00 179.97 181.60 1xg2 h TYR 71 N 0.24 0.78 -0.32 3.04 0.99 -1.02 -1.04 116.97 119.65 1xg2 h TYR 71 Ca 0.07 -0.06 -0.13 0.00 2.00 0.00 0.00 58.73 60.62 1xg2 h TYR 71 Cb 0.43 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.92 1xg2 h TYR 71 CO 0.04 0.64 -0.32 1.49 -0.00 0.00 0.00 178.16 180.01 1xg2 h GLU 72 N 0.74 0.69 -0.32 4.88 4.57 -0.88 0.60 114.58 124.86 1xg2 h GLU 72 Ca 0.17 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 1xg2 h GLU 72 Cb 0.24 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1xg2 h GLU 72 CO -0.01 0.91 0.12 1.15 -1.18 0.00 0.00 179.01 180.01 1xg2 h THR 73 N 0.58 1.18 -0.56 0.32 2.02 -1.02 -1.12 112.91 114.32 1xg2 h THR 73 Ca 0.07 -0.57 0.04 0.00 0.77 0.00 0.00 66.41 66.72 1xg2 h THR 73 Cb 0.83 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1xg2 h THR 73 CO 0.07 0.20 0.31 0.00 0.37 0.00 0.00 175.52 176.46 1xg2 h SER 75 N 0.59 0.53 -0.72 0.00 0.87 -0.60 -0.14 113.55 114.07 1xg2 h SER 75 Ca 0.24 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1xg2 h SER 75 Cb 0.11 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 1xg2 h SER 75 CO -0.14 0.38 0.28 -0.33 -0.53 0.00 0.00 176.83 176.49 1xg2 h GLU 76 N 0.63 1.08 -0.63 2.24 5.08 -0.83 -1.47 114.58 120.67 1xg2 h GLU 76 Ca 0.17 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1xg2 h GLU 76 Cb -0.06 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 1xg2 h GLU 76 CO -0.04 0.89 0.08 -0.91 -1.00 0.00 0.00 179.01 178.03 1xg2 h ASN 77 N 1.04 1.03 0.08 1.42 2.35 -0.91 -1.80 115.58 118.79 1xg2 h ASN 77 Ca 0.24 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.60 1xg2 h ASN 77 Cb 0.22 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1xg2 h ASN 77 CO -0.02 1.04 -0.40 1.88 -1.65 0.00 0.00 177.43 178.29 1xg2 h TYR 78 N 0.98 0.48 -0.52 1.19 -1.99 -0.84 -0.05 116.97 116.22 1xg2 h TYR 78 Ca 0.19 -0.13 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 1xg2 h TYR 78 Cb 0.47 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.07 1xg2 h TYR 78 CO 0.03 0.75 0.20 0.00 -0.00 0.00 0.00 178.16 179.14 1xg2 h ALA 79 N 1.24 0.67 -0.49 3.88 0.00 -0.98 -0.18 119.26 123.41 1xg2 h ALA 79 Ca 0.03 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1xg2 h ALA 79 Cb 0.85 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1xg2 h ALA 79 CO 0.07 0.29 0.01 -0.44 0.00 0.00 0.00 179.25 179.18 1xg2 h ASP 80 N 0.70 0.83 -0.77 0.00 3.32 -1.12 -2.25 116.42 117.14 1xg2 h ASP 80 Ca 0.17 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.95 1xg2 h ASP 80 Cb 0.21 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1xg2 h ASP 80 CO -0.01 0.93 0.48 0.00 -1.72 0.00 0.00 179.24 178.92 1xg2 h ALA 81 N 0.93 1.01 -0.45 3.45 0.00 -0.65 0.32 119.26 123.87 1xg2 h ALA 81 Ca 0.14 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xg2 h ALA 81 Cb 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1xg2 h ALA 81 CO 0.02 0.28 0.22 0.82 0.00 0.00 0.00 179.25 180.59 1xg2 h ILE 82 N 0.94 1.18 -0.64 0.00 2.04 -0.88 -0.64 117.51 119.51 1xg2 h ILE 82 Ca 0.31 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1xg2 h ILE 82 Cb 0.03 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 1xg2 h ILE 82 CO -0.12 0.20 0.38 0.44 0.00 0.00 0.00 178.15 179.05 1xg2 h ASP 83 N 0.58 0.77 -0.26 1.72 3.32 -0.94 -1.62 116.42 120.01 1xg2 h ASP 83 Ca 0.15 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 1xg2 h ASP 83 Cb 0.11 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1xg2 h ASP 83 CO -0.02 0.61 -0.32 0.28 -1.72 0.00 0.00 179.24 178.07 1xg2 h SER 84 N 0.87 0.81 0.00 6.45 0.02 -0.64 -2.37 113.55 118.68 1xg2 h SER 84 Ca 0.23 -0.33 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 1xg2 h SER 84 Cb -0.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1xg2 h SER 84 CO -0.04 1.06 -0.38 -0.07 -1.14 0.00 0.00 176.83 176.26 1xg2 h LEU 85 N 0.65 0.52 -0.67 5.07 3.38 -0.95 -0.67 115.31 122.64 1xg2 h LEU 85 Ca 0.07 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1xg2 h LEU 85 Cb 0.85 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1xg2 h LEU 85 CO 0.07 0.85 0.38 1.23 0.09 0.00 0.00 178.44 181.07 1xg2 h GLY 86 N 1.08 0.99 1.90 0.83 0.00 -1.02 -2.43 103.07 104.42 1xg2 h GLY 86 Ca 0.04 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 1xg2 h GLY 86 CO 0.07 0.17 -0.69 1.46 0.00 0.00 0.00 176.54 177.55 1xg2 h GLN 87 N 0.70 0.10 -0.98 4.80 4.20 -1.17 -3.07 115.11 119.69 1xg2 h GLN 87 Ca 0.30 -0.08 0.13 0.00 0.06 0.00 0.00 58.65 59.06 1xg2 h GLN 87 Cb 0.17 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.89 1xg2 h GLN 87 CO -0.18 0.75 0.62 0.00 -0.67 0.00 0.00 178.83 179.35 1xg2 h ALA 88 N 1.23 1.60 -0.56 3.87 0.00 -0.63 -1.87 119.26 122.90 1xg2 h ALA 88 Ca -0.01 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xg2 h ALA 88 Cb 1.22 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1xg2 h ALA 88 CO 0.10 0.14 0.33 0.87 0.00 0.00 0.00 179.25 180.68 1xg2 h LYS 89 N 0.91 0.62 -0.45 0.00 1.57 -1.40 -1.33 116.57 116.50 1xg2 h LYS 89 Ca 0.50 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 59.12 1xg2 h LYS 89 Cb 0.58 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1xg2 h LYS 89 CO -0.26 0.41 -0.20 1.96 -0.57 0.00 0.00 179.45 180.79 1xg2 h GLN 90 N 0.64 0.89 -0.66 3.15 4.20 -1.49 -2.05 115.11 119.80 1xg2 h GLN 90 Ca 0.23 -0.36 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1xg2 h GLN 90 Cb 0.06 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1xg2 h GLN 90 CO -0.12 1.01 0.19 0.74 -0.67 0.00 0.00 178.83 179.98 1xg2 h PHE 91 N 0.78 1.09 -0.44 2.96 0.05 -1.12 -1.54 116.94 118.72 1xg2 h PHE 91 Ca 0.11 -0.12 -0.02 0.00 3.82 0.00 0.00 57.97 61.75 1xg2 h PHE 91 Cb 0.75 -0.31 -0.02 0.00 2.00 0.00 0.00 35.95 38.36 1xg2 h PHE 91 CO 0.04 0.89 0.18 1.25 -0.18 0.00 0.00 178.31 180.49 1xg2 h LEU 92 N 0.97 0.61 -0.94 1.54 5.85 -1.06 -0.21 115.31 122.07 1xg2 h LEU 92 Ca 0.21 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1xg2 h LEU 92 Cb 0.33 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1xg2 h LEU 92 CO -0.00 0.61 0.61 0.74 -0.34 0.00 0.00 178.44 180.05 1xg2 h THR 93 N 0.57 1.12 -0.00 1.05 2.02 -1.17 -2.09 112.91 114.41 1xg2 h THR 93 Ca 0.15 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1xg2 h THR 93 Cb 0.19 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1xg2 h THR 93 CO -0.01 0.21 -0.01 -1.54 0.37 0.00 0.00 175.52 174.53 1xg2 n SER 94 N -4.52 0.02 0.00 4.18 3.41 -0.60 -4.91 113.62 111.20 1xg2 n SER 94 Ca 0.13 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1xg2 n SER 94 Cb 0.13 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1xg2 n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xg2 n GLY 95 N 1.47 0.42 3.42 5.00 0.00 -0.71 -4.98 105.19 109.81 1xg2 n GLY 95 Ca 0.08 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 1xg2 n GLY 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xg2 s ASP 96 N -2.78 7.07 0.39 1.61 -1.08 -0.17 -4.82 116.67 116.89 1xg2 s ASP 96 Ca 0.00 -3.03 0.21 0.00 -0.52 0.00 0.00 52.55 49.21 1xg2 s ASP 96 Cb 0.00 -2.33 0.60 0.00 -1.46 0.00 0.00 42.92 39.72 1xg2 s ASP 96 CO 0.00 -0.65 1.69 1.88 0.52 0.00 0.00 175.17 178.61 1xg2 h TYR 97 N 7.26 0.00 -0.24 -5.34 0.99 -1.92 -1.76 116.97 115.96 1xg2 h TYR 97 Ca 0.24 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.93 1xg2 h TYR 97 Cb 0.90 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.62 1xg2 h TYR 97 CO 1.01 0.28 -0.03 -0.91 -0.00 0.00 0.00 178.16 178.52 1xg2 h ASN 98 N 0.00 0.44 -0.28 3.88 2.35 -1.90 -1.52 115.58 118.54 1xg2 h ASN 98 Ca -0.00 -0.34 -0.10 0.00 -0.55 0.00 0.00 56.30 55.31 1xg2 h ASN 98 Cb 0.97 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 1xg2 h ASN 98 CO 0.04 0.67 -0.15 0.28 -1.65 0.00 0.00 177.43 176.62 1xg2 h SER 99 N 0.19 0.72 -0.41 5.81 0.02 -1.91 -2.40 113.55 115.57 1xg2 h SER 99 Ca 0.06 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1xg2 h SER 99 Cb 0.46 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1xg2 h SER 99 CO 0.02 0.88 0.21 0.25 -1.14 0.00 0.00 176.83 177.05 1xg2 h LEU 100 N 0.65 0.31 0.10 5.07 5.85 -1.18 -1.05 115.31 125.06 1xg2 h LEU 100 Ca 0.10 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1xg2 h LEU 100 Cb 0.62 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1xg2 h LEU 100 CO 0.04 0.22 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.19 1xg2 h ASN 101 N 0.42 -0.11 -0.62 1.25 -0.73 -0.97 -1.09 115.58 113.73 1xg2 h ASN 101 Ca 0.18 -0.02 0.09 0.00 1.87 0.00 0.00 56.30 58.42 1xg2 h ASN 101 Cb 0.08 0.03 -0.07 0.00 0.27 0.00 0.00 38.32 38.63 1xg2 h ASN 101 CO -0.12 -0.06 0.26 0.40 -0.37 0.00 0.00 177.43 177.54 1xg2 h ILE 102 N -0.15 0.81 -0.10 2.57 1.08 -1.17 0.29 117.51 120.83 1xg2 h ILE 102 Ca -0.01 -0.16 -0.21 0.00 -0.39 0.00 0.00 64.86 64.09 1xg2 h ILE 102 Cb 0.12 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1xg2 h ILE 102 CO 0.02 0.08 -0.79 1.88 -0.69 0.00 0.00 178.15 178.66 1xg2 h TYR 103 N 0.46 0.81 -0.29 1.37 -1.99 -1.03 -0.90 116.97 115.39 1xg2 h TYR 103 Ca 0.31 -0.37 -0.08 0.00 2.00 0.00 0.00 58.73 60.59 1xg2 h TYR 103 Cb 0.35 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 1xg2 h TYR 103 CO -0.15 1.17 -0.15 0.00 -0.00 0.00 0.00 178.16 179.03 1xg2 h ALA 104 N 0.72 1.19 -0.70 3.88 0.00 -0.76 -1.55 119.26 122.04 1xg2 h ALA 104 Ca -0.05 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1xg2 h ALA 104 Cb 1.40 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1xg2 h ALA 104 CO 0.15 0.52 0.16 0.77 0.00 0.00 0.00 179.25 180.85 1xg2 h SER 105 N 0.47 1.06 -0.54 0.00 0.02 -0.22 -1.34 113.55 113.01 1xg2 h SER 105 Ca 0.08 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 1xg2 h SER 105 Cb 0.54 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1xg2 h SER 105 CO 0.03 1.02 -0.06 0.00 -1.14 0.00 0.00 176.83 176.69 1xg2 h ALA 106 N 1.10 0.74 0.07 3.77 0.00 -0.87 -2.10 119.26 121.97 1xg2 h ALA 106 Ca 0.22 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xg2 h ALA 106 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xg2 h ALA 106 CO 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.84 1xg2 h ALA 107 N 0.94 -0.09 -0.81 0.00 0.00 -1.13 -2.03 119.26 116.15 1xg2 h ALA 107 Ca 0.15 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.18 1xg2 h ALA 107 Cb 0.62 0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.31 1xg2 h ALA 107 CO 0.04 -0.49 0.05 0.35 0.00 0.00 0.00 179.25 179.20 1xg2 h PHE 108 N -0.21 0.03 0.00 0.00 3.57 -1.18 -1.25 116.94 117.90 1xg2 h PHE 108 Ca -0.01 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1xg2 h PHE 108 Cb 0.18 0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1xg2 h PHE 108 CO -0.04 -0.25 0.00 -0.44 -2.23 0.00 0.00 178.31 175.35 1xg2 h ASP 109 N 0.12 0.00 -0.43 0.41 3.32 -0.91 -2.75 116.42 116.18 1xg2 h ASP 109 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1xg2 h ASP 109 Cb 0.85 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1xg2 h ASP 109 CO -0.69 0.00 0.28 1.23 -1.72 0.00 0.00 179.24 178.34 1xg2 h GLY 110 N 2.93 0.60 1.11 2.75 0.00 -0.51 0.38 103.07 110.32 1xg2 h GLY 110 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 1xg2 h GLY 110 CO 0.00 0.23 -0.13 0.00 0.00 0.00 0.00 176.54 176.64 1xg2 h ALA 111 N 1.15 0.75 -0.15 3.60 0.00 -1.54 -2.24 119.26 120.84 1xg2 h ALA 111 Ca 0.16 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1xg2 h ALA 111 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1xg2 h ALA 111 CO -0.03 0.67 -0.32 0.78 0.00 0.00 0.00 179.25 180.35 1xg2 h GLY 112 N 0.92 0.32 1.43 0.00 0.00 -1.41 -1.46 103.07 102.87 1xg2 h GLY 112 Ca 0.14 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 1xg2 h GLY 112 CO 0.05 0.25 -0.62 -0.84 0.00 0.00 0.00 176.54 175.38 1xg2 h THR 113 N 0.26 1.32 -0.12 4.70 2.02 -0.79 0.60 112.91 120.90 1xg2 h THR 113 Ca 0.03 -1.89 0.03 0.00 0.77 0.00 0.00 66.41 65.35 1xg2 h THR 113 Cb 0.69 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.94 1xg2 h THR 113 CO 0.05 0.59 -0.04 0.00 0.37 0.00 0.00 175.52 176.49 1xg2 h GLU 115 N -0.02 0.15 0.00 0.00 4.39 -1.02 -1.88 114.58 116.21 1xg2 h GLU 115 Ca 0.06 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1xg2 h GLU 115 Cb 0.11 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1xg2 h GLU 115 CO -0.14 0.10 -0.09 -0.44 -1.16 0.00 0.00 179.01 177.29 1xg2 h ASP 116 N 0.16 0.00 1.04 1.42 3.32 -0.73 -2.55 116.42 119.06 1xg2 h ASP 116 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1xg2 h ASP 116 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1xg2 h ASP 116 CO -0.19 0.09 0.00 -1.20 -1.72 0.00 0.00 179.24 176.21 1xg2 n SER 117 N -4.04 0.59 -2.95 6.45 7.64 -0.67 -3.67 113.62 116.98 1xg2 n SER 117 Ca -0.03 0.60 -0.38 0.00 1.01 0.00 0.00 58.87 60.07 1xg2 n SER 117 Cb 0.17 -0.74 0.03 0.00 -1.01 0.00 0.00 64.21 62.66 1xg2 n SER 117 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1xg2 n PHE 118 N -2.10 3.04 -3.46 1.43 3.72 -0.96 -4.92 117.46 114.22 1xg2 n PHE 118 Ca 0.04 -2.50 -0.39 0.00 -0.05 0.00 0.00 57.45 54.55 1xg2 n PHE 118 Cb 0.32 -1.02 -0.10 0.00 -0.94 0.00 0.00 39.48 37.74 1xg2 n PHE 118 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1xg2 s GLU 119 N -4.02 3.83 0.03 -1.08 2.02 -1.24 -4.65 118.70 113.58 1xg2 s GLU 119 Ca 0.50 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1xg2 s GLU 119 Cb 0.40 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1xg2 s GLU 119 CO -0.35 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.01 1xg2 n GLY 120 N 4.90 -1.38 3.76 -1.39 0.00 -1.26 -4.89 105.19 104.92 1xg2 n GLY 120 Ca -0.10 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 1xg2 n GLY 120 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xg2 s PRO 121 N -1.19 2.79 0.14 1.61 0.04 -1.26 -4.05 135.00 133.08 1xg2 s PRO 121 Ca 0.00 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 1xg2 s PRO 121 Cb 0.00 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 1xg2 s PRO 121 CO 0.00 -1.29 1.13 -1.25 0.04 0.00 0.00 177.00 175.62 1xg2 s PRO 122 N -3.74 4.54 0.62 0.56 0.04 -1.26 -5.08 135.00 130.68 1xg2 s PRO 122 Ca 0.72 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 63.33 1xg2 s PRO 122 Cb -0.25 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 1xg2 s PRO 122 CO 0.38 -0.03 1.09 -0.80 0.04 0.00 0.00 177.00 177.67 1xg2 s ASN 123 N 0.28 5.47 0.31 6.66 0.02 -1.26 -4.88 114.94 121.54 1xg2 s ASN 123 Ca 0.52 1.93 -0.29 0.00 -1.02 0.00 0.00 52.86 54.00 1xg2 s ASN 123 Cb -0.29 -2.54 -0.10 0.00 0.02 0.00 0.00 41.25 38.33 1xg2 s ASN 123 CO 0.33 -1.38 1.19 -0.51 0.02 0.00 0.00 177.10 176.75 1xg2 s ILE 124 N -2.35 3.16 0.29 0.60 2.07 -1.26 -4.98 121.20 118.72 1xg2 s ILE 124 Ca 0.66 1.15 -0.30 0.00 -1.41 0.00 0.00 60.65 60.76 1xg2 s ILE 124 Cb -0.19 -3.73 -0.11 0.00 0.13 0.00 0.00 42.46 38.57 1xg2 s ILE 124 CO 0.38 0.27 1.48 -2.84 -1.91 0.00 0.00 174.94 172.31 1xg2 s PRO 125 N -1.64 4.21 0.28 3.50 0.02 -1.26 -4.88 135.00 135.23 1xg2 s PRO 125 Ca 0.47 2.41 0.02 0.00 0.02 0.00 0.00 61.00 63.92 1xg2 s PRO 125 Cb -0.35 -3.06 0.67 0.00 0.02 0.00 0.00 34.50 31.78 1xg2 s PRO 125 CO 0.46 -0.47 1.71 1.15 -0.33 0.00 0.00 177.00 179.52 1xg2 h THR 126 N 3.36 0.55 -0.77 0.99 2.02 -1.99 -1.15 112.91 115.92 1xg2 h THR 126 Ca -0.47 -0.16 0.12 0.00 0.77 0.00 0.00 66.41 66.66 1xg2 h THR 126 Cb 1.22 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.60 1xg2 h THR 126 CO 0.75 0.08 0.39 -0.61 0.37 0.00 0.00 175.52 176.50 1xg2 h GLN 127 N 0.46 0.60 0.04 6.66 4.15 -2.00 -0.43 115.11 124.59 1xg2 h GLN 127 Ca 0.53 -0.04 -0.26 0.00 0.77 0.00 0.00 58.65 59.65 1xg2 h GLN 127 Cb 0.94 -0.13 0.02 0.00 0.21 0.00 0.00 27.48 28.52 1xg2 h GLN 127 CO -0.48 0.39 -1.04 1.25 -1.93 0.00 0.00 178.83 177.02 1xg2 h LEU 128 N 0.61 0.85 -0.62 -2.39 5.85 -1.64 -2.29 115.31 115.67 1xg2 h LEU 128 Ca 0.40 -0.77 0.09 0.00 0.84 0.00 0.00 57.88 58.43 1xg2 h LEU 128 Cb 0.48 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1xg2 h LEU 128 CO -0.31 1.52 0.26 -0.74 -0.34 0.00 0.00 178.44 178.83 1xg2 h HIS 129 N 0.27 0.46 -0.45 1.25 2.76 -0.82 -0.42 115.15 118.20 1xg2 h HIS 129 Ca -0.14 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 57.95 1xg2 h HIS 129 Cb 1.71 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 30.55 1xg2 h HIS 129 CO 0.12 0.14 -0.16 1.96 -1.30 0.00 0.00 177.93 178.68 1xg2 h GLN 130 N 0.46 0.87 -0.49 5.26 4.20 -1.08 -2.29 115.11 122.04 1xg2 h GLN 130 Ca 0.31 -0.33 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 1xg2 h GLN 130 Cb 0.36 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1xg2 h GLN 130 CO -0.28 0.97 -0.09 0.00 -0.67 0.00 0.00 178.83 178.75 1xg2 h ALA 131 N 1.04 0.92 -0.16 3.87 0.00 -0.89 -0.85 119.26 123.19 1xg2 h ALA 131 Ca 0.11 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xg2 h ALA 131 Cb 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1xg2 h ALA 131 CO 0.05 0.63 0.09 -0.44 0.00 0.00 0.00 179.25 179.58 1xg2 h ASP 132 N 0.80 0.20 -0.04 0.00 3.32 -0.92 -1.80 116.42 117.98 1xg2 h ASP 132 Ca 0.13 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1xg2 h ASP 132 Cb 0.61 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1xg2 h ASP 132 CO 0.04 0.21 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.58 1xg2 h LEU 133 N 0.16 0.31 -0.27 1.55 3.38 -1.20 -1.32 115.31 117.92 1xg2 h LEU 133 Ca 0.06 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1xg2 h LEU 133 Cb 0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1xg2 h LEU 133 CO -0.01 0.46 -0.13 0.50 0.09 0.00 0.00 178.44 179.36 1xg2 h LYS 134 N 0.31 0.57 -0.82 1.13 3.64 -0.98 -0.62 116.57 119.80 1xg2 h LYS 134 Ca 0.06 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1xg2 h LYS 134 Cb 0.40 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1xg2 h LYS 134 CO 0.02 0.81 0.37 1.25 -2.27 0.00 0.00 179.45 179.64 1xg2 h LEU 135 N 0.31 1.09 -0.30 5.20 5.85 -0.91 -0.43 115.31 126.12 1xg2 h LEU 135 Ca 0.06 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1xg2 h LEU 135 Cb 0.64 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1xg2 h LEU 135 CO 0.04 0.93 0.17 -0.33 -0.34 0.00 0.00 178.44 178.92 1xg2 h GLU 136 N 1.18 0.41 -0.72 1.25 5.08 -1.11 0.53 114.58 121.19 1xg2 h GLU 136 Ca 0.28 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1xg2 h GLU 136 Cb 0.15 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1xg2 h GLU 136 CO -0.03 0.33 0.30 -0.44 -1.00 0.00 0.00 179.01 178.17 1xg2 h ASP 137 N 0.38 0.99 -0.31 1.42 3.45 -0.73 -1.14 116.42 120.47 1xg2 h ASP 137 Ca 0.11 -0.17 -0.16 0.00 0.43 0.00 0.00 57.03 57.24 1xg2 h ASP 137 Cb 0.03 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.54 1xg2 h ASP 137 CO -0.02 0.88 -0.44 -0.07 -1.57 0.00 0.00 179.24 178.03 1xg2 h LEU 138 N 1.03 0.92 -1.26 1.55 3.38 -0.87 -2.91 115.31 117.16 1xg2 h LEU 138 Ca 0.24 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1xg2 h LEU 138 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1xg2 h LEU 138 CO -0.02 1.24 -0.32 0.00 0.09 0.00 0.00 178.44 179.43 1xg2 h ASP 140 N 0.07 0.28 -0.53 0.00 3.58 -1.02 -0.11 116.42 118.70 1xg2 h ASP 140 Ca 0.01 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1xg2 h ASP 140 Cb 0.61 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 1xg2 h ASP 140 CO 0.04 0.45 0.35 0.40 -2.88 0.00 0.00 179.24 177.61 1xg2 h ILE 141 N 0.27 1.14 -0.55 2.25 2.04 -1.28 -0.61 117.51 120.76 1xg2 h ILE 141 Ca 0.05 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1xg2 h ILE 141 Cb 0.43 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1xg2 h ILE 141 CO 0.03 0.13 0.20 0.58 0.00 0.00 0.00 178.15 179.09 1xg2 h VAL 142 N 0.72 1.23 -0.67 1.67 2.07 -1.30 -2.00 116.25 117.97 1xg2 h VAL 142 Ca 0.19 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1xg2 h VAL 142 Cb -0.08 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1xg2 h VAL 142 CO -0.04 0.28 0.38 -0.07 0.02 0.00 0.00 177.57 178.14 1xg2 h LEU 143 N 0.76 0.82 -0.52 2.57 3.38 -0.70 -0.46 115.31 121.16 1xg2 h LEU 143 Ca 0.18 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1xg2 h LEU 143 Cb 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1xg2 h LEU 143 CO -0.01 0.67 0.17 0.58 0.09 0.00 0.00 178.44 179.94 1xg2 h VAL 144 N 0.91 1.23 -0.62 1.22 2.07 -0.87 -2.15 116.25 118.03 1xg2 h VAL 144 Ca 0.24 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 1xg2 h VAL 144 Cb 0.02 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1xg2 h VAL 144 CO -0.04 0.28 0.10 0.40 0.02 0.00 0.00 177.57 178.34 1xg2 h ILE 145 N 0.71 1.26 -0.09 4.57 2.04 -1.10 -1.72 117.51 123.18 1xg2 h ILE 145 Ca 0.17 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 65.03 1xg2 h ILE 145 Cb 0.26 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1xg2 h ILE 145 CO -0.01 0.37 0.06 0.77 0.00 0.00 0.00 178.15 179.35 1xg2 h SER 146 N 0.94 0.07 1.21 1.72 4.64 -0.62 -1.49 113.55 120.01 1xg2 h SER 146 Ca 0.19 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 1xg2 h SER 146 Cb 0.43 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1xg2 h SER 146 CO 0.01 0.05 -0.83 0.78 -0.87 0.00 0.00 176.83 175.97 1xg2 h ASN 147 N 0.08 0.00 1.09 4.97 2.35 -0.79 -3.31 115.58 119.98 1xg2 h ASN 147 Ca 0.04 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.64 1xg2 h ASN 147 Cb 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1xg2 h ASN 147 CO -0.01 0.47 -0.73 -0.07 -1.65 0.00 0.00 177.43 175.45 1xg2 h LEU 148 N 0.00 0.00-10.03 1.61 3.38 -0.48 -3.46 115.31 106.33 1xg2 h LEU 148 Ca -0.06 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.38 1xg2 h LEU 148 Cb 1.41 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.27 1xg2 h LEU 148 CO 0.05 0.73 0.55 -0.76 0.09 0.00 0.00 178.44 179.10 1xg2 s LEU 149 N -6.78 3.92 0.00 1.67 1.43 -0.64 -5.10 118.68 113.17 1xg2 s LEU 149 Ca 0.02 2.54 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 1xg2 s LEU 149 Cb 0.10 -4.27 0.04 0.00 0.03 0.00 0.00 46.19 42.08 1xg2 s LEU 149 CO 0.77 -1.27 0.53 -0.81 0.23 0.00 0.00 176.35 175.81