#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg3 s HIS 4 N 0.00 2.90 -0.23 -1.77 5.65 -1.26 -5.02 115.29 115.57 1xg3 s HIS 4 Ca 0.00 1.12 0.01 0.00 0.25 0.00 0.00 55.06 56.44 1xg3 s HIS 4 Cb 0.00 -3.86 0.05 0.00 -1.18 0.00 0.00 32.58 27.59 1xg3 s HIS 4 CO 0.00 -2.65 -0.08 0.45 -0.65 0.00 0.00 174.74 171.80 1xg3 s SER 5 N 0.06 3.80 0.28 9.88 0.15 -1.26 -5.00 113.70 121.61 1xg3 s SER 5 Ca 0.56 -1.11 -0.01 0.00 0.70 0.00 0.00 55.95 56.08 1xg3 s SER 5 Cb -0.43 -1.28 0.45 0.00 -1.71 0.00 0.00 66.02 63.05 1xg3 s SER 5 CO 0.50 -0.19 1.90 -0.65 1.20 0.00 0.00 173.24 176.00 1xg3 h PRO 6 N 7.92 1.10 -0.88 5.44 0.11 -1.89 -1.51 132.00 142.28 1xg3 h PRO 6 Ca -0.22 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1xg3 h PRO 6 Cb 1.07 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 1xg3 h PRO 6 CO 0.45 0.72 0.48 0.78 -0.21 0.00 0.00 178.00 180.23 1xg3 h GLY 7 N 1.13 1.32 1.20 -0.55 0.00 -1.77 0.71 103.07 105.12 1xg3 h GLY 7 Ca 0.41 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1xg3 h GLY 7 CO -0.15 0.57 0.08 1.70 0.00 0.00 0.00 176.54 178.74 1xg3 h LYS 8 N 1.24 0.98 -0.52 4.80 3.64 -1.43 -2.06 116.57 123.22 1xg3 h LYS 8 Ca 0.31 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1xg3 h LYS 8 Cb 0.03 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1xg3 h LYS 8 CO -0.05 0.91 -0.03 0.00 -2.27 0.00 0.00 179.45 178.01 1xg3 h ALA 9 N 1.17 0.96 -0.36 5.00 0.00 -0.37 -1.60 119.26 124.06 1xg3 h ALA 9 Ca 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xg3 h ALA 9 Cb 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xg3 h ALA 9 CO 0.01 0.62 0.14 0.35 0.00 0.00 0.00 179.25 180.37 1xg3 h PHE 10 N 0.83 0.56 -0.68 0.00 3.57 -0.52 -0.31 116.94 120.39 1xg3 h PHE 10 Ca 0.15 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1xg3 h PHE 10 Cb 0.53 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1xg3 h PHE 10 CO 0.03 0.51 0.33 0.00 -2.23 0.00 0.00 178.31 176.96 1xg3 h ARG 11 N 0.44 0.96 -0.51 1.11 3.08 -1.18 -2.27 114.38 116.01 1xg3 h ARG 11 Ca 0.12 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1xg3 h ARG 11 Cb 0.20 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1xg3 h ARG 11 CO -0.01 0.74 -0.12 0.00 -1.07 0.00 0.00 179.97 179.51 1xg3 h ALA 12 N 1.41 0.84 -0.75 0.04 0.00 -0.89 -2.87 119.26 117.04 1xg3 h ALA 12 Ca 0.24 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1xg3 h ALA 12 Cb 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1xg3 h ALA 12 CO -0.03 0.65 0.49 0.00 0.00 0.00 0.00 179.25 180.36 1xg3 h ALA 13 N 1.01 1.52 -0.84 0.00 0.00 -0.49 -2.00 119.26 118.46 1xg3 h ALA 13 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xg3 h ALA 13 Cb 0.66 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1xg3 h ALA 13 CO 0.05 0.42 0.50 -0.07 0.00 0.00 0.00 179.25 180.15 1xg3 h LEU 14 N 0.96 1.02 -0.32 0.00 3.38 -1.25 -1.68 115.31 117.42 1xg3 h LEU 14 Ca 0.29 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1xg3 h LEU 14 Cb -0.03 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1xg3 h LEU 14 CO -0.07 0.80 0.00 0.35 0.09 0.00 0.00 178.44 179.60 1xg3 n THR 15 N -4.42 0.75 0.62 0.22 -2.24 -0.78 -3.27 114.28 105.15 1xg3 n THR 15 Ca 0.09 0.13 0.06 0.00 -2.27 0.00 0.00 64.05 62.06 1xg3 n THR 15 Cb 0.07 -0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 67.28 1xg3 n THR 15 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xg3 n LYS 16 N -1.95 2.54 -3.71 -0.78 0.00 -0.84 -4.95 118.16 108.45 1xg3 n LYS 16 Ca 0.04 -0.13 -0.16 0.00 0.00 0.00 0.00 58.31 58.06 1xg3 n LYS 16 Cb 0.26 -1.13 -0.16 0.00 0.00 0.00 0.00 35.03 34.00 1xg3 n LYS 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1xg3 s GLU 17 N -2.13 0.03 -0.19 1.64 2.12 -0.69 -5.09 118.70 114.37 1xg3 s GLU 17 Ca 0.06 0.40 -0.02 0.00 0.36 0.00 0.00 54.97 55.77 1xg3 s GLU 17 Cb 0.10 -0.27 0.06 0.00 0.26 0.00 0.00 34.13 34.28 1xg3 s GLU 17 CO 0.50 -0.24 0.02 1.21 -0.54 0.00 0.00 175.26 176.22 1xg3 s ASN 18 N 1.66 2.96 0.66 -1.70 3.84 -1.26 -2.69 114.94 118.41 1xg3 s ASN 18 Ca -0.03 -0.83 -0.11 0.00 0.21 0.00 0.00 52.86 52.10 1xg3 s ASN 18 Cb -0.12 -0.66 -0.00 0.00 -0.55 0.00 0.00 41.25 39.92 1xg3 s ASN 18 CO -0.05 -0.29 1.05 -2.16 -2.79 0.00 0.00 177.10 172.86 1xg3 s PRO 19 N 1.81 3.09 -0.26 0.43 0.04 -1.26 -4.97 135.00 133.87 1xg3 s PRO 19 Ca -0.01 0.49 -0.27 0.00 0.04 0.00 0.00 61.00 61.25 1xg3 s PRO 19 Cb -0.17 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1xg3 s PRO 19 CO -0.08 -0.85 0.96 -1.17 0.04 0.00 0.00 177.00 175.91 1xg3 s LEU 20 N -5.26 4.06 -0.16 -3.56 0.20 0.15 -4.83 118.68 109.28 1xg3 s LEU 20 Ca 0.57 1.14 -0.26 0.00 0.69 0.00 0.00 54.13 56.27 1xg3 s LEU 20 Cb -0.11 -3.40 -0.01 0.00 -0.43 0.00 0.00 46.19 42.24 1xg3 s LEU 20 CO 0.52 -0.66 0.87 -1.10 -0.29 0.00 0.00 176.35 175.68 1xg3 s GLN 21 N 3.17 4.32 -0.22 1.98 -0.21 -1.26 -0.57 119.66 126.86 1xg3 s GLN 21 Ca 0.41 1.10 0.01 0.00 0.02 0.00 0.00 55.36 56.90 1xg3 s GLN 21 Cb -0.14 -3.57 0.03 0.00 1.00 0.00 0.00 33.01 30.33 1xg3 s GLN 21 CO 0.09 -0.33 -0.13 0.42 -2.12 0.00 0.00 175.29 173.22 1xg3 s ILE 22 N 2.14 2.34 -0.13 1.08 1.01 0.93 -4.43 121.20 124.14 1xg3 s ILE 22 Ca 0.40 -1.17 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1xg3 s ILE 22 Cb -0.17 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1xg3 s ILE 22 CO 0.13 0.27 0.05 0.68 0.00 0.00 0.00 174.94 176.07 1xg3 s VAL 23 N 1.24 4.69 0.33 2.92 -7.23 -1.23 -1.38 120.40 119.75 1xg3 s VAL 23 Ca -0.01 -0.09 -0.29 0.00 -1.81 0.00 0.00 61.98 59.79 1xg3 s VAL 23 Cb -0.16 -3.04 -0.10 0.00 0.56 0.00 0.00 36.38 33.63 1xg3 s VAL 23 CO -0.08 0.55 1.34 -0.83 -0.31 0.00 0.00 175.10 175.77 1xg3 s GLY 24 N -0.43 2.96 -0.21 2.32 0.00 0.06 -1.08 107.32 110.95 1xg3 s GLY 24 Ca 0.09 1.31 0.01 0.00 0.00 0.00 0.00 44.72 46.13 1xg3 s GLY 24 CO 0.02 1.98 -0.08 -0.51 0.00 0.00 0.00 173.10 174.51 1xg3 s THR 25 N -1.08 1.54 0.32 0.90 -4.23 0.02 -4.75 115.64 108.36 1xg3 s THR 25 Ca 0.50 -1.04 0.24 0.00 -1.18 0.00 0.00 61.69 60.22 1xg3 s THR 25 Cb -0.41 -1.70 0.25 0.00 1.34 0.00 0.00 72.50 71.98 1xg3 s THR 25 CO 0.54 0.07 1.96 -0.29 -0.54 0.00 0.00 174.62 176.36 1xg3 h ILE 26 N 6.49 0.65 -3.41 2.99 6.09 -1.92 -3.44 117.51 124.96 1xg3 h ILE 26 Ca -0.24 -0.83 -0.08 0.00 -1.37 0.00 0.00 64.86 62.34 1xg3 h ILE 26 Cb 1.09 1.53 -0.04 0.00 0.47 0.00 0.00 36.82 39.87 1xg3 h ILE 26 CO 0.44 0.19 0.08 0.54 -3.07 0.00 0.00 178.15 176.33 1xg3 s ASN 27 N -6.26 0.19 0.25 2.19 6.03 -1.26 -4.91 114.94 111.18 1xg3 s ASN 27 Ca -0.02 -1.12 -0.04 0.00 -1.03 0.00 0.00 52.86 50.65 1xg3 s ASN 27 Cb 0.12 0.74 0.36 0.00 -3.03 0.00 0.00 41.25 39.44 1xg3 s ASN 27 CO 0.62 -1.44 1.87 0.00 -2.03 0.00 0.00 177.10 176.12 1xg3 h ALA 28 N 2.07 1.28 -0.04 3.54 0.00 -1.89 -2.14 119.26 122.07 1xg3 h ALA 28 Ca -0.28 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1xg3 h ALA 28 Cb 1.25 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1xg3 h ALA 28 CO 0.36 0.38 -0.13 -0.97 0.00 0.00 0.00 179.25 178.90 1xg3 h ASN 29 N 1.09 -0.38 0.23 0.00 -0.73 -1.96 -1.94 115.58 111.89 1xg3 h ASN 29 Ca 0.40 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 58.60 1xg3 h ASN 29 Cb 0.14 0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.89 1xg3 h ASN 29 CO -0.16 -0.18 -0.16 0.45 -0.37 0.00 0.00 177.43 177.01 1xg3 h HIS 30 N -0.19 0.00 -0.55 0.67 3.86 -1.88 -1.35 115.15 115.71 1xg3 h HIS 30 Ca 0.06 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 1xg3 h HIS 30 Cb 0.28 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1xg3 h HIS 30 CO -0.21 0.16 0.02 0.00 0.86 0.00 0.00 177.93 178.77 1xg3 h ALA 31 N 1.84 1.01 -0.31 2.45 0.00 -0.72 0.76 119.26 124.29 1xg3 h ALA 31 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1xg3 h ALA 31 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xg3 h ALA 31 CO 0.02 0.61 -0.31 -0.07 0.00 0.00 0.00 179.25 179.51 1xg3 h LEU 32 N 0.85 0.68 -0.65 0.00 3.38 -0.63 -1.29 115.31 117.66 1xg3 h LEU 32 Ca 0.16 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1xg3 h LEU 32 Cb 0.47 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1xg3 h LEU 32 CO 0.02 0.95 0.24 -0.07 0.09 0.00 0.00 178.44 179.66 1xg3 h LEU 33 N 0.56 0.91 -0.48 1.67 3.38 -0.83 0.10 115.31 120.63 1xg3 h LEU 33 Ca 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1xg3 h LEU 33 Cb 0.80 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1xg3 h LEU 33 CO 0.07 0.85 0.25 0.00 0.09 0.00 0.00 178.44 179.70 1xg3 h ALA 34 N 1.09 0.61 -0.50 1.53 0.00 -0.60 -0.85 119.26 120.55 1xg3 h ALA 34 Ca 0.21 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xg3 h ALA 34 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xg3 h ALA 34 CO -0.01 0.15 0.11 0.37 0.00 0.00 0.00 179.25 179.87 1xg3 h GLN 35 N 0.63 0.81 0.00 0.00 4.15 -0.84 -1.92 115.11 117.94 1xg3 h GLN 35 Ca 0.17 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1xg3 h GLN 35 Cb 0.07 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 1xg3 h GLN 35 CO -0.02 0.79 -0.05 0.00 -1.93 0.00 0.00 178.83 177.62 1xg3 h ARG 36 N 0.70 0.00 -0.01 1.69 3.08 -0.56 -1.94 114.38 117.35 1xg3 h ARG 36 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1xg3 h ARG 36 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1xg3 h ARG 36 CO 0.00 0.05 -0.10 0.00 -1.07 0.00 0.00 179.97 178.86 1xg3 n ALA 37 N -2.15 2.76 0.00 0.04 0.00 -0.35 -4.94 120.51 115.87 1xg3 n ALA 37 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1xg3 n ALA 37 Cb 0.23 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1xg3 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xg3 n GLY 38 N 1.23 0.52 3.76 0.00 0.00 -0.73 -5.07 105.19 104.89 1xg3 n GLY 38 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1xg3 n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xg3 s TYR 39 N -2.00 2.44 -0.93 1.61 2.02 -1.00 -4.96 117.35 114.54 1xg3 s TYR 39 Ca 0.00 1.55 0.09 0.00 -0.37 0.00 0.00 57.07 58.35 1xg3 s TYR 39 Cb 0.00 -3.33 0.02 0.00 -0.40 0.00 0.00 41.96 38.25 1xg3 s TYR 39 CO 0.00 -2.00 0.65 1.04 -1.57 0.00 0.00 175.55 173.67 1xg3 n GLN 40 N -2.11 1.69 -3.59 -0.62 1.13 -1.26 -4.66 117.38 107.97 1xg3 n GLN 40 Ca 0.12 -0.70 -0.16 0.00 -1.94 0.00 0.00 57.00 54.32 1xg3 n GLN 40 Cb 0.51 -1.09 -0.07 0.00 0.11 0.00 0.00 30.24 29.70 1xg3 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xg3 s ALA 41 N -1.16 -1.66 0.28 -1.58 0.00 -1.26 -4.32 121.76 112.06 1xg3 s ALA 41 Ca 0.08 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.57 1xg3 s ALA 41 Cb 0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 1xg3 s ALA 41 CO 0.20 -0.34 0.04 0.96 0.00 0.00 0.00 175.76 176.62 1xg3 s ILE 42 N -0.56 1.09 0.01 0.00 -4.36 -0.79 -3.51 121.20 113.09 1xg3 s ILE 42 Ca -0.07 -2.02 0.03 0.00 -0.26 0.00 0.00 60.65 58.34 1xg3 s ILE 42 Cb -0.02 -2.61 -0.01 0.00 1.25 0.00 0.00 42.46 41.06 1xg3 s ILE 42 CO 0.06 -0.12 -0.10 -0.47 0.24 0.00 0.00 174.94 174.55 1xg3 s TYR 43 N -3.37 0.91 -0.44 1.37 5.04 -0.24 -0.93 117.35 119.67 1xg3 s TYR 43 Ca 0.34 -0.26 -0.07 0.00 -2.44 0.00 0.00 57.07 54.64 1xg3 s TYR 43 Cb 0.07 -0.56 0.11 0.00 0.35 0.00 0.00 41.96 41.93 1xg3 s TYR 43 CO 0.13 -0.01 0.29 -1.17 -1.34 0.00 0.00 175.55 173.45 1xg3 s LEU 44 N -0.67 5.51 0.14 6.97 2.96 -0.15 -0.80 118.68 132.63 1xg3 s LEU 44 Ca 0.01 -1.95 -0.31 0.00 -0.22 0.00 0.00 54.13 51.66 1xg3 s LEU 44 Cb -0.06 -1.94 -0.08 0.00 0.50 0.00 0.00 46.19 44.61 1xg3 s LEU 44 CO 0.00 -0.63 1.39 -0.55 -1.32 0.00 0.00 176.35 175.25 1xg3 s SER 45 N 2.32 6.81 0.15 3.68 0.15 -1.26 -1.92 113.70 123.62 1xg3 s SER 45 Ca 0.07 2.38 -0.11 0.00 0.70 0.00 0.00 55.95 58.99 1xg3 s SER 45 Cb -0.25 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.44 1xg3 s SER 45 CO -0.02 -0.65 1.49 1.23 1.20 0.00 0.00 173.24 176.49 1xg3 h GLY 46 N 6.50 1.04 2.00 9.45 0.00 -1.96 0.70 103.07 120.80 1xg3 h GLY 46 Ca -0.43 -1.03 -0.03 0.00 0.00 0.00 0.00 47.33 45.84 1xg3 h GLY 46 CO 0.85 0.93 -0.16 -1.33 0.00 0.00 0.00 176.54 176.82 1xg3 h GLY 47 N 0.79 0.00 1.10 4.60 0.00 -1.96 -1.01 103.07 106.59 1xg3 h GLY 47 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.12 1xg3 h GLY 47 CO 0.09 0.00 -1.20 -1.33 0.00 0.00 0.00 176.54 174.10 1xg3 h GLY 48 N 0.87 0.60 1.00 4.60 0.00 -1.78 0.73 103.07 109.08 1xg3 h GLY 48 Ca -0.00 -1.36 0.00 0.00 0.00 0.00 0.00 47.33 45.97 1xg3 h GLY 48 CO 0.02 1.20 0.31 -2.08 0.00 0.00 0.00 176.54 175.99 1xg3 h VAL 49 N 0.08 1.14 0.65 4.60 2.07 -0.49 0.48 116.25 124.78 1xg3 h VAL 49 Ca -0.20 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1xg3 h VAL 49 Cb 1.91 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1xg3 h VAL 49 CO 0.23 0.13 -0.31 0.00 0.02 0.00 0.00 177.57 177.64 1xg3 h ALA 50 N 1.16 -0.93 -0.01 1.67 0.00 -1.22 -1.31 119.26 118.62 1xg3 h ALA 50 Ca 0.18 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1xg3 h ALA 50 Cb -0.05 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1xg3 h ALA 50 CO -0.04 -0.86 -0.62 0.00 0.00 0.00 0.00 179.25 177.74 1xg3 h ALA 51 N -1.31 0.95 0.00 0.00 0.00 0.04 0.36 119.26 119.30 1xg3 h ALA 51 Ca -0.09 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 1xg3 h ALA 51 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xg3 h ALA 51 CO 0.15 0.76 -0.93 0.41 0.00 0.00 0.00 179.25 179.64 1xg3 n GLY 52 N 0.25 -0.75 0.15 0.00 0.00 0.16 -2.95 105.19 102.05 1xg3 n GLY 52 Ca -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 1xg3 n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xg3 h SER 53 N -1.00 0.14 0.00 1.61 0.02 -0.99 -3.33 113.55 110.00 1xg3 h SER 53 Ca -0.09 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1xg3 h SER 53 Cb 0.86 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1xg3 h SER 53 CO -0.06 0.73 -1.12 0.18 -1.14 0.00 0.00 176.83 175.42 1xg3 n LEU 54 N -3.83 0.17 -1.18 5.07 4.77 -0.56 -5.00 117.00 116.46 1xg3 n LEU 54 Ca -0.02 -0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 55.67 1xg3 n LEU 54 Cb 0.63 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 1xg3 n LEU 54 CO 0.43 0.04 -0.13 0.61 -1.33 0.00 0.00 177.39 177.01 1xg3 n GLY 55 N 1.66 0.16 3.42 -0.72 0.00 0.60 -4.96 105.19 105.35 1xg3 n GLY 55 Ca -0.01 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 1xg3 n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xg3 s LEU 56 N -3.04 2.57 0.65 0.99 1.43 0.94 -4.91 118.68 117.31 1xg3 s LEU 56 Ca 0.00 -1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 51.90 1xg3 s LEU 56 Cb 0.00 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 1xg3 s LEU 56 CO 0.00 -0.05 1.26 -2.84 0.23 0.00 0.00 176.35 174.96 1xg3 s PRO 57 N -3.55 2.55 -1.33 1.29 0.02 -1.26 -1.72 135.00 131.00 1xg3 s PRO 57 Ca 0.27 1.97 -0.13 0.00 0.02 0.00 0.00 61.00 63.12 1xg3 s PRO 57 Cb -0.03 -1.86 0.11 0.00 0.02 0.00 0.00 34.50 32.74 1xg3 s PRO 57 CO 0.12 -1.58 1.89 -3.47 -0.33 0.00 0.00 177.00 173.63 1xg3 n ASP 58 N -2.00 4.70 -2.06 2.53 2.03 -1.26 -4.58 116.55 115.91 1xg3 n ASP 58 Ca 0.15 -2.97 -0.04 0.00 0.52 0.00 0.00 54.79 52.45 1xg3 n ASP 58 Cb 0.49 -1.59 0.06 0.00 -0.72 0.00 0.00 41.12 39.35 1xg3 n ASP 58 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1xg3 n LEU 59 N 5.58 2.31 -0.81 -2.67 4.77 -1.25 -3.90 117.00 121.03 1xg3 n LEU 59 Ca 0.45 -3.27 -0.08 0.00 -0.03 0.00 0.00 56.01 53.08 1xg3 n LEU 59 Cb 0.40 0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1xg3 n LEU 59 CO 0.80 1.19 -0.09 0.61 -1.33 0.00 0.00 177.39 178.57 1xg3 n GLY 60 N -0.43 0.34 0.10 -0.72 0.00 -1.24 -4.29 105.19 98.95 1xg3 n GLY 60 Ca 0.16 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1xg3 n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xg3 n ILE 61 N -3.61 1.66 -1.63 -0.61 5.41 -1.26 -4.92 119.36 114.40 1xg3 n ILE 61 Ca -0.09 -0.75 -0.35 0.00 1.00 0.00 0.00 62.75 62.56 1xg3 n ILE 61 Cb 0.47 -1.25 0.07 0.00 -0.71 0.00 0.00 39.64 38.23 1xg3 n ILE 61 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xg3 s SER 62 N -6.38 4.56 0.39 4.38 1.04 -1.26 -5.03 113.70 111.39 1xg3 s SER 62 Ca -0.11 2.35 0.08 0.00 0.48 0.00 0.00 55.95 58.74 1xg3 s SER 62 Cb 0.07 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 1xg3 s SER 62 CO 0.80 -2.02 0.38 0.42 0.98 0.00 0.00 173.24 173.81 1xg3 s THR 63 N -1.89 3.07 0.20 2.02 -4.23 -1.26 -5.00 115.64 108.56 1xg3 s THR 63 Ca 0.75 -1.28 -0.10 0.00 -1.18 0.00 0.00 61.69 59.87 1xg3 s THR 63 Cb -0.29 -3.08 0.13 0.00 1.34 0.00 0.00 72.50 70.59 1xg3 s THR 63 CO 0.42 -0.07 1.78 0.25 -0.54 0.00 0.00 174.62 176.46 1xg3 h LEU 64 N 1.04 0.39 -1.50 4.79 5.85 -1.96 -2.20 115.31 121.73 1xg3 h LEU 64 Ca -0.43 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1xg3 h LEU 64 Cb 1.26 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1xg3 h LEU 64 CO 0.56 0.25 -0.14 0.44 -0.34 0.00 0.00 178.44 179.21 1xg3 h ASP 65 N 0.54 0.14 -0.69 1.25 5.19 -1.98 0.49 116.42 121.36 1xg3 h ASP 65 Ca 0.28 -0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.68 1xg3 h ASP 65 Cb 0.25 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.68 1xg3 h ASP 65 CO -0.22 0.30 0.45 0.44 -3.12 0.00 0.00 179.24 177.09 1xg3 h ASP 66 N 0.14 0.77 -0.12 6.45 3.32 -1.79 -1.31 116.42 123.89 1xg3 h ASP 66 Ca 0.03 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1xg3 h ASP 66 Cb 0.34 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1xg3 h ASP 66 CO 0.02 0.55 -0.17 0.58 -1.72 0.00 0.00 179.24 178.51 1xg3 h VAL 67 N 0.91 1.37 -0.95 -1.35 2.07 -1.21 -3.15 116.25 113.95 1xg3 h VAL 67 Ca 0.26 -1.39 0.11 0.00 0.82 0.00 0.00 66.70 66.50 1xg3 h VAL 67 Cb -0.08 2.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 1xg3 h VAL 67 CO -0.07 0.40 0.58 -0.07 0.02 0.00 0.00 177.57 178.44 1xg3 h LEU 68 N -0.08 0.84 -0.53 2.57 3.38 -0.71 -0.18 115.31 120.60 1xg3 h LEU 68 Ca 0.01 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1xg3 h LEU 68 Cb 0.73 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1xg3 h LEU 68 CO 0.04 0.45 0.32 0.74 0.09 0.00 0.00 178.44 180.07 1xg3 h THR 69 N 0.92 1.05 -0.10 0.22 2.02 -1.26 -0.70 112.91 115.06 1xg3 h THR 69 Ca 0.47 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 67.31 1xg3 h THR 69 Cb 0.46 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1xg3 h THR 69 CO -0.27 0.11 -0.48 0.44 0.37 0.00 0.00 175.52 175.70 1xg3 h ASP 70 N 0.63 0.28 -0.10 4.18 3.32 -1.20 -1.81 116.42 121.72 1xg3 h ASP 70 Ca 0.21 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1xg3 h ASP 70 Cb 0.03 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1xg3 h ASP 70 CO -0.10 0.72 0.04 0.40 -1.72 0.00 0.00 179.24 178.59 1xg3 h ILE 71 N 0.21 1.13 -0.62 0.35 2.04 -0.56 -1.49 117.51 118.57 1xg3 h ILE 71 Ca 0.01 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1xg3 h ILE 71 Cb 0.92 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 1xg3 h ILE 71 CO 0.08 0.12 0.27 0.03 0.00 0.00 0.00 178.15 178.64 1xg3 h ARG 72 N 0.02 0.91 -0.52 2.37 3.08 -1.04 -0.52 114.38 118.68 1xg3 h ARG 72 Ca 0.03 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1xg3 h ARG 72 Cb 0.15 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1xg3 h ARG 72 CO -0.00 0.75 0.34 0.00 -1.07 0.00 0.00 179.97 179.99 1xg3 h ARG 73 N 0.86 0.67 0.02 0.04 3.08 -1.23 -0.05 114.38 117.76 1xg3 h ARG 73 Ca 0.21 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1xg3 h ARG 73 Cb 0.16 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1xg3 h ARG 73 CO -0.02 0.44 -0.01 0.82 -1.07 0.00 0.00 179.97 180.13 1xg3 h ILE 74 N 0.69 1.38 0.00 2.04 2.04 -1.02 -3.30 117.51 119.34 1xg3 h ILE 74 Ca 0.20 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1xg3 h ILE 74 Cb -0.06 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1xg3 h ILE 74 CO -0.06 0.32 0.00 0.35 0.00 0.00 0.00 178.15 178.77 1xg3 n THR 75 N -4.84 0.70 0.20 -0.27 -2.24 -0.22 -0.80 114.28 106.80 1xg3 n THR 75 Ca -0.09 -0.05 0.06 0.00 -2.27 0.00 0.00 64.05 61.70 1xg3 n THR 75 Cb 0.28 -0.85 0.37 0.00 -2.10 0.00 0.00 70.33 68.03 1xg3 n THR 75 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1xg3 h ASP 76 N 0.00 0.00 0.00 3.42 3.32 -1.07 -3.36 116.42 118.73 1xg3 h ASP 76 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1xg3 h ASP 76 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1xg3 h ASP 76 CO 0.00 0.34 -1.24 0.55 -1.72 0.00 0.00 179.24 177.17 1xg3 n VAL 77 N -3.56 0.16 -4.26 -1.35 3.14 -1.09 -5.00 118.33 106.38 1xg3 n VAL 77 Ca -0.00 -0.14 -0.34 0.00 -2.96 0.00 0.00 64.34 60.89 1xg3 n VAL 77 Cb 0.48 -0.34 -0.13 0.00 -1.06 0.00 0.00 33.84 32.79 1xg3 n VAL 77 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xg3 n SER 79 N 3.94 0.06 -4.76 0.00 3.41 -1.26 -4.41 113.62 110.59 1xg3 n SER 79 Ca -0.17 -0.04 -0.38 0.00 -0.26 0.00 0.00 58.87 58.02 1xg3 n SER 79 Cb 0.52 -0.30 0.01 0.00 -0.26 0.00 0.00 64.21 64.18 1xg3 n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xg3 s LEU 80 N -2.68 3.97 0.20 1.04 1.43 -1.26 -4.95 118.68 116.43 1xg3 s LEU 80 Ca 0.25 2.47 -0.31 0.00 -1.03 0.00 0.00 54.13 55.51 1xg3 s LEU 80 Cb 0.20 -4.24 -0.09 0.00 0.03 0.00 0.00 46.19 42.09 1xg3 s LEU 80 CO 0.49 -1.13 1.42 -2.16 0.23 0.00 0.00 176.35 175.20 1xg3 s PRO 81 N -2.74 4.30 -0.24 1.29 0.04 -1.26 -4.82 135.00 131.56 1xg3 s PRO 81 Ca 0.66 2.21 -0.06 0.00 0.04 0.00 0.00 61.00 63.86 1xg3 s PRO 81 Cb -0.33 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 1xg3 s PRO 81 CO 0.40 -0.42 0.02 -1.17 0.04 0.00 0.00 177.00 175.87 1xg3 s LEU 82 N 0.22 3.22 -0.06 -3.56 2.96 -1.26 -1.88 118.68 118.33 1xg3 s LEU 82 Ca 0.62 -0.34 -0.22 0.00 -0.22 0.00 0.00 54.13 53.97 1xg3 s LEU 82 Cb -0.40 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1xg3 s LEU 82 CO 0.38 -0.04 0.64 -0.22 -1.32 0.00 0.00 176.35 175.78 1xg3 s LEU 83 N 1.54 4.33 -0.05 -0.68 2.96 -0.11 -0.81 118.68 125.86 1xg3 s LEU 83 Ca 0.06 1.11 0.05 0.00 -0.22 0.00 0.00 54.13 55.13 1xg3 s LEU 83 Cb -0.15 -2.98 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 1xg3 s LEU 83 CO 0.00 -0.05 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.10 1xg3 s VAL 84 N 0.56 2.60 -0.35 1.68 1.01 0.16 -0.98 120.40 125.07 1xg3 s VAL 84 Ca 0.34 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 61.15 1xg3 s VAL 84 Cb -0.17 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1xg3 s VAL 84 CO 0.16 0.58 1.06 -0.62 0.00 0.00 0.00 175.10 176.29 1xg3 s ASP 85 N -0.48 6.84 -0.17 3.32 -1.08 -0.81 -1.17 116.67 123.12 1xg3 s ASP 85 Ca 0.06 0.88 0.16 0.00 -0.52 0.00 0.00 52.55 53.12 1xg3 s ASP 85 Cb -0.12 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 39.46 1xg3 s ASP 85 CO 0.01 -0.94 1.56 0.00 0.52 0.00 0.00 175.17 176.32 1xg3 n ALA 86 N 7.02 3.26 -0.21 3.66 0.00 -0.17 -4.59 120.51 129.49 1xg3 n ALA 86 Ca 0.11 -1.97 0.00 0.00 0.00 0.00 0.00 53.44 51.58 1xg3 n ALA 86 Cb 0.48 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1xg3 n ALA 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xg3 n ASP 87 N 0.24 0.00 -1.13 0.00 10.43 -1.25 -1.01 116.55 123.83 1xg3 n ASP 87 Ca 0.24 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.68 1xg3 n ASP 87 Cb 0.97 0.00 0.29 0.00 1.84 0.00 0.00 41.12 44.21 1xg3 n ASP 87 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 1xg3 n ILE 88 N 0.00 2.23 0.00 0.53 -5.35 -1.26 -1.30 119.36 114.20 1xg3 n ILE 88 Ca 0.00 -1.65 0.00 0.00 -0.27 0.00 0.00 62.75 60.83 1xg3 n ILE 88 Cb 0.00 -0.15 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 1xg3 n ILE 88 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xg3 n GLY 89 N -0.05 0.41 3.18 3.28 0.00 -0.18 -4.68 105.19 107.15 1xg3 n GLY 89 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 1xg3 n GLY 89 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xg3 n PHE 90 N -1.66 -2.00 0.00 1.61 3.72 -1.26 -3.65 117.46 114.22 1xg3 n PHE 90 Ca 0.00 0.84 0.00 0.00 -0.05 0.00 0.00 57.45 58.24 1xg3 n PHE 90 Cb 0.00 -4.70 0.00 0.00 -0.94 0.00 0.00 39.48 33.84 1xg3 n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xg3 n GLY 91 N -1.13 1.45 0.03 1.37 0.00 -1.26 -4.84 105.19 100.81 1xg3 n GLY 91 Ca -0.24 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 44.78 1xg3 n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xg3 n SER 92 N 0.00 0.57 -4.50 1.61 3.41 -1.26 -4.88 113.62 108.57 1xg3 n SER 92 Ca 0.00 -0.34 -0.26 0.00 -0.26 0.00 0.00 58.87 58.02 1xg3 n SER 92 Cb 0.00 0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 1xg3 n SER 92 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xg3 s SER 93 N -2.94 3.13 0.53 4.04 1.04 -1.26 -5.01 113.70 113.22 1xg3 s SER 93 Ca 0.13 -1.46 0.28 0.00 0.48 0.00 0.00 55.95 55.38 1xg3 s SER 93 Cb 0.18 -0.01 1.48 0.00 0.10 0.00 0.00 66.02 67.76 1xg3 s SER 93 CO 0.68 -0.64 2.07 0.00 0.98 0.00 0.00 173.24 176.33 1xg3 h ALA 94 N 1.86 1.25 -0.36 5.32 0.00 -1.93 -1.79 119.26 123.61 1xg3 h ALA 94 Ca -0.41 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1xg3 h ALA 94 Cb 1.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1xg3 h ALA 94 CO 0.72 0.14 -0.31 0.74 0.00 0.00 0.00 179.25 180.54 1xg3 h PHE 95 N 0.00 0.90 -0.33 0.00 0.04 -1.98 -0.79 116.94 114.77 1xg3 h PHE 95 Ca -0.00 -0.23 -0.09 0.00 2.80 0.00 0.00 57.97 60.44 1xg3 h PHE 95 Cb 0.34 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 1xg3 h PHE 95 CO 0.00 0.98 -0.16 -0.91 -0.60 0.00 0.00 178.31 177.62 1xg3 h ASN 96 N 0.65 0.71 -0.63 2.17 2.35 -1.66 -1.72 115.58 117.45 1xg3 h ASN 96 Ca 0.07 -0.41 0.02 0.00 -0.55 0.00 0.00 56.30 55.44 1xg3 h ASN 96 Cb 0.84 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 1xg3 h ASN 96 CO 0.07 0.96 0.40 0.58 -1.65 0.00 0.00 177.43 177.79 1xg3 h VAL 97 N 0.46 1.11 -0.22 2.81 2.07 -1.30 -1.07 116.25 120.10 1xg3 h VAL 97 Ca 0.07 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1xg3 h VAL 97 Cb 0.69 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1xg3 h VAL 97 CO 0.05 0.15 0.07 0.00 0.02 0.00 0.00 177.57 177.85 1xg3 h ALA 98 N 1.26 0.29 -0.47 1.67 0.00 -1.01 -1.91 119.26 119.09 1xg3 h ALA 98 Ca 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1xg3 h ALA 98 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xg3 h ALA 98 CO -0.09 -0.08 0.18 -0.09 0.00 0.00 0.00 179.25 179.18 1xg3 h ARG 99 N 0.19 0.67 -0.10 0.00 2.43 -1.12 -1.14 114.38 115.32 1xg3 h ARG 99 Ca 0.07 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1xg3 h ARG 99 Cb 0.23 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1xg3 h ARG 99 CO -0.00 0.56 0.05 1.15 -1.51 0.00 0.00 179.97 180.21 1xg3 h THR 100 N 0.67 1.13 0.04 0.20 2.02 -0.91 0.11 112.91 116.16 1xg3 h THR 100 Ca 0.16 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1xg3 h THR 100 Cb 0.14 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1xg3 h THR 100 CO -0.02 0.11 -0.05 0.58 0.37 0.00 0.00 175.52 176.52 1xg3 h VAL 101 N 0.03 0.88 -0.65 3.16 2.07 -0.86 -0.70 116.25 120.18 1xg3 h VAL 101 Ca 0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1xg3 h VAL 101 Cb 0.14 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1xg3 h VAL 101 CO -0.00 0.00 0.18 0.11 0.02 0.00 0.00 177.57 177.87 1xg3 h LYS 102 N -0.11 1.01 -0.42 1.57 1.57 -1.13 -1.75 116.57 117.31 1xg3 h LYS 102 Ca 0.01 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.46 1xg3 h LYS 102 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1xg3 h LYS 102 CO -0.02 0.88 -0.19 0.77 -0.57 0.00 0.00 179.45 180.32 1xg3 h SER 103 N 0.97 0.83 0.14 0.86 0.02 -0.58 -2.14 113.55 113.66 1xg3 h SER 103 Ca 0.21 -0.29 -0.16 0.00 -0.84 0.00 0.00 61.79 60.71 1xg3 h SER 103 Cb 0.31 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1xg3 h SER 103 CO -0.00 1.01 -0.57 0.24 -1.14 0.00 0.00 176.83 176.36 1xg3 h MET 104 N 0.73 0.45 -0.12 3.45 2.86 -0.85 -0.16 114.93 121.29 1xg3 h MET 104 Ca 0.11 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1xg3 h MET 104 Cb 0.71 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1xg3 h MET 104 CO 0.05 0.90 0.04 0.82 1.06 0.00 0.00 176.91 179.78 1xg3 h ILE 105 N 0.34 1.17 -0.26 -1.22 2.04 -1.23 -1.90 117.51 116.45 1xg3 h ILE 105 Ca 0.00 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1xg3 h ILE 105 Cb 1.10 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1xg3 h ILE 105 CO 0.10 0.15 0.05 0.50 0.00 0.00 0.00 178.15 178.95 1xg3 h LYS 106 N 0.02 0.38 0.00 2.37 3.64 -1.27 -1.49 116.57 120.22 1xg3 h LYS 106 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xg3 h LYS 106 Cb 0.20 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1xg3 h LYS 106 CO -0.00 0.37 0.00 0.00 -2.27 0.00 0.00 179.45 177.55 1xg3 h ALA 107 N 1.68 1.00 0.00 5.00 0.00 -0.66 -3.47 119.26 122.82 1xg3 h ALA 107 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xg3 h ALA 107 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xg3 h ALA 107 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1xg3 n GLY 108 N -0.02 1.05 3.76 0.00 0.00 -0.56 -4.02 105.19 105.40 1xg3 n GLY 108 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1xg3 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xg3 s ALA 109 N -2.00 2.35 -0.13 4.61 0.00 -0.76 -4.74 121.76 121.09 1xg3 s ALA 109 Ca 0.00 0.55 0.19 0.00 0.00 0.00 0.00 51.96 52.70 1xg3 s ALA 109 Cb 0.00 -3.34 -0.25 0.00 0.00 0.00 0.00 23.12 19.53 1xg3 s ALA 109 CO 0.00 -1.49 0.37 0.00 0.00 0.00 0.00 175.76 174.64 1xg3 n ALA 110 N -2.69 2.01 -3.83 0.00 0.00 0.01 -4.54 120.51 111.45 1xg3 n ALA 110 Ca 0.11 -0.90 -0.02 0.00 0.00 0.00 0.00 53.44 52.63 1xg3 n ALA 110 Cb 0.52 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 19.44 1xg3 n ALA 110 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xg3 s GLY 111 N -5.03 -0.08 0.10 0.00 0.00 -1.17 -1.83 107.32 99.31 1xg3 s GLY 111 Ca -0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.47 1xg3 s GLY 111 CO 0.85 2.08 0.36 0.48 0.00 0.00 0.00 173.10 176.87 1xg3 s LEU 112 N -3.31 0.63 0.02 0.66 0.05 -0.38 -0.67 118.68 115.68 1xg3 s LEU 112 Ca 0.20 -0.33 0.09 0.00 0.05 0.00 0.00 54.13 54.14 1xg3 s LEU 112 Cb -0.01 1.64 -0.02 0.00 -2.05 0.00 0.00 46.19 45.75 1xg3 s LEU 112 CO 0.02 -0.79 -0.26 -1.38 -0.55 0.00 0.00 176.35 173.40 1xg3 s HIS 113 N -3.55 2.27 -0.00 3.48 -3.43 -0.32 -1.22 115.29 112.52 1xg3 s HIS 113 Ca 0.02 -0.42 0.07 0.00 -0.80 0.00 0.00 55.06 53.92 1xg3 s HIS 113 Cb 0.02 -1.40 -0.02 0.00 -1.43 0.00 0.00 32.58 29.75 1xg3 s HIS 113 CO -0.10 0.06 -0.20 -1.50 -2.00 0.00 0.00 174.74 170.99 1xg3 s ILE 114 N -0.72 1.62 0.39 -5.38 2.07 -0.84 -0.99 121.20 117.34 1xg3 s ILE 114 Ca 0.11 -0.95 0.08 0.00 -1.41 0.00 0.00 60.65 58.47 1xg3 s ILE 114 Cb -0.10 -1.36 -0.05 0.00 0.13 0.00 0.00 42.46 41.08 1xg3 s ILE 114 CO 0.01 0.39 0.17 -1.83 -1.91 0.00 0.00 174.94 171.76 1xg3 s GLU 115 N -0.66 2.27 -0.30 3.50 -1.05 -0.42 -0.58 118.70 121.46 1xg3 s GLU 115 Ca 0.08 -1.74 0.06 0.00 -0.15 0.00 0.00 54.97 53.22 1xg3 s GLU 115 Cb -0.08 -2.05 0.60 0.00 -0.44 0.00 0.00 34.13 32.15 1xg3 s GLU 115 CO -0.00 -0.04 1.66 -0.40 0.95 0.00 0.00 175.26 177.43 1xg3 n ASP 116 N -1.21 4.11 -4.93 0.83 5.68 -1.10 -4.71 116.55 115.22 1xg3 n ASP 116 Ca -0.02 -3.10 -0.24 0.00 -0.50 0.00 0.00 54.79 50.93 1xg3 n ASP 116 Cb 0.63 -0.73 0.06 0.00 -1.14 0.00 0.00 41.12 39.94 1xg3 n ASP 116 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1xg3 s GLN 117 N -2.60 2.28 0.86 0.11 -0.21 -1.26 -0.43 119.66 118.41 1xg3 s GLN 117 Ca 0.46 -0.42 -0.12 0.00 0.02 0.00 0.00 55.36 55.30 1xg3 s GLN 117 Cb 0.37 -2.26 0.11 0.00 1.00 0.00 0.00 33.01 32.23 1xg3 s GLN 117 CO 0.11 -1.10 1.15 0.08 -2.12 0.00 0.00 175.29 173.40 1xg3 s VAL 118 N -3.11 2.10 0.12 1.09 1.01 -0.80 -4.47 120.40 116.34 1xg3 s VAL 118 Ca 0.59 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.38 1xg3 s VAL 118 Cb -0.11 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1xg3 s VAL 118 CO 0.43 -0.04 1.40 1.23 0.00 0.00 0.00 175.10 178.12 1xg3 h GLY 119 N -1.30 -1.32 -6.67 4.51 0.00 -1.96 -2.86 103.07 93.47 1xg3 h GLY 119 Ca -0.49 0.89 -0.70 0.00 0.00 0.00 0.00 47.33 47.03 1xg3 h GLY 119 CO 0.63 -0.23 2.79 0.00 0.00 0.00 0.00 176.54 179.73 1xg3 n ALA 120 N -3.18 4.84 -1.26 3.60 0.00 -1.26 -4.69 120.51 118.56 1xg3 n ALA 120 Ca 0.01 -3.88 -0.29 0.00 0.00 0.00 0.00 53.44 49.29 1xg3 n ALA 120 Cb 0.20 -3.55 0.16 0.00 0.00 0.00 0.00 19.45 16.25 1xg3 n ALA 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1xg3 s LYS 121 N 3.51 0.72 0.20 0.00 0.00 -1.08 -4.84 119.74 118.24 1xg3 s LYS 121 Ca 0.49 0.51 -0.01 0.00 0.00 0.00 0.00 55.97 56.96 1xg3 s LYS 121 Cb 0.10 -1.77 -0.04 0.00 0.00 0.00 0.00 37.83 36.12 1xg3 s LYS 121 CO -0.03 -2.53 0.13 -0.98 0.00 0.00 0.00 175.35 171.94 1xg3 s ARG 122 N -5.03 1.19 0.39 1.78 1.70 -1.26 -3.70 118.95 114.02 1xg3 s ARG 122 Ca 0.65 -1.62 -0.26 0.00 -0.47 0.00 0.00 55.73 54.03 1xg3 s ARG 122 Cb -0.18 0.27 -0.11 0.00 -0.57 0.00 0.00 34.95 34.37 1xg3 s ARG 122 CO 0.57 -0.38 1.18 0.45 -1.08 0.00 0.00 175.30 176.03 1xg3 n SER 123 N -0.26 2.13 0.00 -2.89 2.88 -1.25 -4.84 113.62 109.38 1xg3 n SER 123 Ca 0.02 1.11 0.04 0.00 -1.33 0.00 0.00 58.87 58.71 1xg3 n SER 123 Cb 0.66 -1.44 0.17 0.00 -0.75 0.00 0.00 64.21 62.85 1xg3 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xg3 n GLY 124 N 0.94 -0.72 1.10 0.46 0.00 -1.26 -1.59 105.19 104.12 1xg3 n GLY 124 Ca 0.07 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1xg3 n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xg3 n HIS 125 N -1.46 1.01 -4.00 1.61 8.25 -1.26 -4.61 115.22 114.76 1xg3 n HIS 125 Ca 0.02 -0.64 -0.29 0.00 -0.26 0.00 0.00 57.72 56.55 1xg3 n HIS 125 Cb 0.08 -0.19 -0.05 0.00 1.12 0.00 0.00 29.99 30.96 1xg3 n HIS 125 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1xg3 s ARG 126 N -1.81 3.13 0.86 -0.41 1.81 -0.62 -4.75 118.95 117.17 1xg3 s ARG 126 Ca 0.40 -0.64 -0.13 0.00 -1.72 0.00 0.00 55.73 53.64 1xg3 s ARG 126 Cb 0.26 -2.84 0.12 0.00 -0.45 0.00 0.00 34.95 32.04 1xg3 s ARG 126 CO 0.18 0.56 1.20 -1.25 -0.68 0.00 0.00 175.30 175.31 1xg3 s PRO 127 N -2.68 1.50 -1.36 3.54 0.04 -1.26 -4.41 135.00 130.36 1xg3 s PRO 127 Ca 0.32 0.02 -0.08 0.00 0.04 0.00 0.00 61.00 61.31 1xg3 s PRO 127 Cb -0.12 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1xg3 s PRO 127 CO 0.25 -1.90 1.09 0.09 0.04 0.00 0.00 177.00 176.57 1xg3 n ASN 128 N -3.51 -5.01 -4.90 6.66 3.02 -1.26 -5.00 115.26 105.26 1xg3 n ASN 128 Ca 0.09 -0.62 -0.28 0.00 -0.03 0.00 0.00 54.58 53.74 1xg3 n ASN 128 Cb 0.60 -4.78 -0.01 0.00 -0.61 0.00 0.00 39.78 34.99 1xg3 n ASN 128 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1xg3 s LYS 129 N -6.19 3.61 -0.04 3.52 -2.85 -1.26 -5.07 119.74 111.46 1xg3 s LYS 129 Ca 0.46 0.29 0.04 0.00 -1.00 0.00 0.00 55.97 55.76 1xg3 s LYS 129 Cb -0.21 -2.38 -0.00 0.00 -2.06 0.00 0.00 37.83 33.18 1xg3 s LYS 129 CO 0.75 -0.16 -0.16 0.00 0.10 0.00 0.00 175.35 175.88 1xg3 s ALA 130 N -2.64 1.40 0.21 0.59 0.00 -1.26 -4.92 121.76 115.14 1xg3 s ALA 130 Ca 0.49 -0.63 0.11 0.00 0.00 0.00 0.00 51.96 51.93 1xg3 s ALA 130 Cb -0.10 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1xg3 s ALA 130 CO 0.41 0.26 -0.23 0.96 0.00 0.00 0.00 175.76 177.16 1xg3 s ILE 131 N 0.04 2.33 0.81 0.00 -4.36 -1.26 -1.91 121.20 116.85 1xg3 s ILE 131 Ca -0.03 -2.11 -0.12 0.00 -0.26 0.00 0.00 60.65 58.13 1xg3 s ILE 131 Cb -0.11 -2.14 0.08 0.00 1.25 0.00 0.00 42.46 41.54 1xg3 s ILE 131 CO 0.02 -0.20 1.17 0.68 0.24 0.00 0.00 174.94 176.85 1xg3 s VAL 132 N -1.90 2.12 0.85 8.37 -7.23 0.43 -4.81 120.40 118.22 1xg3 s VAL 132 Ca 0.22 0.04 -0.10 0.00 -1.81 0.00 0.00 61.98 60.33 1xg3 s VAL 132 Cb -0.07 -3.02 0.10 0.00 0.56 0.00 0.00 36.38 33.95 1xg3 s VAL 132 CO 0.11 -0.05 1.12 -0.94 -0.31 0.00 0.00 175.10 175.02 1xg3 s SER 133 N -4.53 3.67 0.24 4.85 1.04 -1.26 -4.80 113.70 112.91 1xg3 s SER 133 Ca 0.62 1.99 -0.06 0.00 0.48 0.00 0.00 55.95 58.98 1xg3 s SER 133 Cb -0.11 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.75 1xg3 s SER 133 CO 0.49 -2.59 1.90 0.50 0.98 0.00 0.00 173.24 174.52 1xg3 h LYS 134 N -1.52 1.15 -0.62 4.02 3.64 -1.98 -1.47 116.57 119.79 1xg3 h LYS 134 Ca -0.44 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1xg3 h LYS 134 Cb 1.25 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1xg3 h LYS 134 CO 0.47 0.76 0.31 0.93 -2.27 0.00 0.00 179.45 179.65 1xg3 h GLU 135 N 1.19 0.88 -0.68 1.90 3.07 -1.99 -0.62 114.58 118.33 1xg3 h GLU 135 Ca 0.36 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 59.05 1xg3 h GLU 135 Cb -0.03 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.68 1xg3 h GLU 135 CO -0.11 0.70 0.21 1.49 -1.40 0.00 0.00 179.01 179.90 1xg3 h GLU 136 N 0.85 1.05 -0.45 2.33 4.81 -1.70 -2.22 114.58 119.25 1xg3 h GLU 136 Ca 0.22 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1xg3 h GLU 136 Cb 0.09 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1xg3 h GLU 136 CO -0.03 0.91 -0.05 1.98 -0.73 0.00 0.00 179.01 181.09 1xg3 h MET 137 N 0.99 0.84 -0.88 1.92 4.05 -1.00 -2.74 114.93 118.11 1xg3 h MET 137 Ca 0.22 -0.30 0.11 0.00 -0.28 0.00 0.00 59.70 59.45 1xg3 h MET 137 Cb 0.30 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 30.97 1xg3 h MET 137 CO -0.01 0.92 0.57 0.28 0.23 0.00 0.00 176.91 178.90 1xg3 h VAL 138 N 0.68 0.94 -0.33 -5.77 2.07 -0.87 -0.58 116.25 112.38 1xg3 h VAL 138 Ca 0.12 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1xg3 h VAL 138 Cb 0.58 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1xg3 h VAL 138 CO 0.03 0.15 -0.22 0.44 0.02 0.00 0.00 177.57 177.99 1xg3 h ASP 139 N 0.82 0.65 -0.59 0.57 3.32 -1.12 -1.15 116.42 118.92 1xg3 h ASP 139 Ca 0.41 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 1xg3 h ASP 139 Cb 0.48 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1xg3 h ASP 139 CO -0.18 0.87 -0.03 0.03 -1.72 0.00 0.00 179.24 178.20 1xg3 h ARG 140 N 0.57 1.07 -0.36 3.56 3.08 -0.91 -2.18 114.38 119.22 1xg3 h ARG 140 Ca 0.08 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 1xg3 h ARG 140 Cb 0.69 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1xg3 h ARG 140 CO 0.05 1.06 0.02 0.82 -1.07 0.00 0.00 179.97 180.85 1xg3 h ILE 141 N 0.97 1.25 -0.74 2.04 2.04 -0.87 -1.39 117.51 120.81 1xg3 h ILE 141 Ca 0.16 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 1xg3 h ILE 141 Cb 0.60 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1xg3 h ILE 141 CO 0.04 0.31 0.36 0.03 0.00 0.00 0.00 178.15 178.88 1xg3 h ARG 142 N 0.44 1.07 -0.50 2.37 3.08 -1.12 0.30 114.38 120.02 1xg3 h ARG 142 Ca 0.10 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1xg3 h ARG 142 Cb 0.42 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1xg3 h ARG 142 CO 0.01 0.83 0.22 0.00 -1.07 0.00 0.00 179.97 179.97 1xg3 h ALA 143 N 1.18 0.64 -0.14 0.04 0.00 -1.32 -0.56 119.26 119.09 1xg3 h ALA 143 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xg3 h ALA 143 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xg3 h ALA 143 CO -0.03 0.23 0.04 0.00 0.00 0.00 0.00 179.25 179.49 1xg3 h ALA 144 N 1.06 0.18 -0.61 0.00 0.00 -0.78 -2.12 119.26 116.98 1xg3 h ALA 144 Ca 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1xg3 h ALA 144 Cb 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1xg3 h ALA 144 CO -0.02 -0.20 0.22 0.28 0.00 0.00 0.00 179.25 179.53 1xg3 h VAL 145 N 0.04 1.24 0.00 0.00 2.07 -0.84 -2.77 116.25 115.99 1xg3 h VAL 145 Ca 0.04 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1xg3 h VAL 145 Cb 0.23 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1xg3 h VAL 145 CO -0.00 0.30 -0.20 0.44 0.02 0.00 0.00 177.57 178.13 1xg3 h ASP 146 N 0.86 0.00 0.97 0.57 3.32 -1.02 -2.76 116.42 118.36 1xg3 h ASP 146 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1xg3 h ASP 146 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1xg3 h ASP 146 CO -0.01 0.20 0.00 0.00 -1.72 0.00 0.00 179.24 177.71 1xg3 n ALA 147 N -2.40 2.19 -1.68 3.45 0.00 -0.81 -4.88 120.51 116.39 1xg3 n ALA 147 Ca -0.02 -0.08 -0.50 0.00 0.00 0.00 0.00 53.44 52.84 1xg3 n ALA 147 Cb 0.28 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 1xg3 n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xg3 n LYS 148 N -1.62 1.85 0.02 0.00 5.02 -1.04 -4.55 118.16 117.84 1xg3 n LYS 148 Ca 0.06 0.67 0.11 0.00 -2.02 0.00 0.00 58.31 57.13 1xg3 n LYS 148 Cb 0.32 -2.45 -0.04 0.00 -0.02 0.00 0.00 35.03 32.84 1xg3 n LYS 148 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xg3 n THR 149 N 4.44 0.13 -4.01 -0.18 -2.24 -1.26 -4.74 114.28 106.41 1xg3 n THR 149 Ca 0.22 -0.27 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 1xg3 n THR 149 Cb 0.25 0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.58 1xg3 n THR 149 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xg3 s ASP 150 N -3.97 3.18 0.63 3.42 -1.08 -1.26 -5.01 116.67 112.58 1xg3 s ASP 150 Ca 0.02 -0.76 0.39 0.00 -0.52 0.00 0.00 52.55 51.67 1xg3 s ASP 150 Cb 0.14 -1.24 2.16 0.00 -1.46 0.00 0.00 42.92 42.52 1xg3 s ASP 150 CO 0.84 -0.11 2.31 1.55 0.52 0.00 0.00 175.17 180.27 1xg3 h PRO 151 N 7.99 0.00 -0.00 4.34 0.13 -2.01 -2.06 132.00 140.40 1xg3 h PRO 151 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1xg3 h PRO 151 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1xg3 h PRO 151 CO 0.50 0.01 -0.31 -0.25 -0.23 0.00 0.00 178.00 177.71 1xg3 n ASP 152 N -3.35 0.33 -4.77 1.44 8.00 -1.26 -4.85 116.55 112.09 1xg3 n ASP 152 Ca -0.03 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.08 1xg3 n ASP 152 Cb 0.09 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.19 1xg3 n ASP 152 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1xg3 s PHE 153 N -2.98 2.48 -0.20 1.24 5.36 -0.78 -3.91 117.98 119.18 1xg3 s PHE 153 Ca 0.13 1.27 -0.09 0.00 -0.96 0.00 0.00 56.93 57.27 1xg3 s PHE 153 Cb 0.18 -3.91 -0.04 0.00 -0.34 0.00 0.00 43.02 38.90 1xg3 s PHE 153 CO 0.63 -2.91 0.10 0.08 -1.46 0.00 0.00 175.22 171.67 1xg3 s VAL 154 N -1.20 5.08 -0.39 3.12 1.01 -0.76 -4.98 120.40 122.28 1xg3 s VAL 154 Ca 0.61 0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 1xg3 s VAL 154 Cb -0.44 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1xg3 s VAL 154 CO 0.56 0.43 0.21 -0.63 0.00 0.00 0.00 175.10 175.66 1xg3 s ILE 155 N 0.55 4.21 -0.16 2.22 -1.09 -1.26 -1.25 121.20 124.43 1xg3 s ILE 155 Ca 0.06 -1.18 -0.07 0.00 -2.23 0.00 0.00 60.65 57.22 1xg3 s ILE 155 Cb -0.12 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 1xg3 s ILE 155 CO 0.00 -0.35 0.09 -0.32 -1.23 0.00 0.00 174.94 173.13 1xg3 s MET 156 N 1.45 3.77 -0.13 2.79 -2.45 -0.35 -0.61 119.30 123.77 1xg3 s MET 156 Ca 0.02 -0.27 -0.06 0.00 -1.25 0.00 0.00 55.69 54.12 1xg3 s MET 156 Cb -0.21 -3.20 -0.04 0.00 1.25 0.00 0.00 34.83 32.63 1xg3 s MET 156 CO 0.04 0.46 0.08 0.00 1.05 0.00 0.00 175.02 176.65 1xg3 s ALA 157 N -0.13 3.59 -0.09 4.11 0.00 -0.64 -2.00 121.76 126.61 1xg3 s ALA 157 Ca 0.08 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1xg3 s ALA 157 Cb -0.12 -1.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1xg3 s ALA 157 CO 0.01 0.47 -0.16 0.50 0.00 0.00 0.00 175.76 176.58 1xg3 s ARG 158 N -0.54 2.92 -0.08 0.00 3.52 0.25 -0.38 118.95 124.64 1xg3 s ARG 158 Ca 0.11 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 1xg3 s ARG 158 Cb -0.12 -2.45 -0.02 0.00 -1.56 0.00 0.00 34.95 30.80 1xg3 s ARG 158 CO 0.02 0.39 -0.18 -0.08 -0.81 0.00 0.00 175.30 174.64 1xg3 s THR 159 N -0.13 2.69 -0.59 4.11 -1.32 -0.57 -2.71 115.64 117.12 1xg3 s THR 159 Ca -0.02 -0.83 0.15 0.00 -1.21 0.00 0.00 61.69 59.78 1xg3 s THR 159 Cb -0.14 -2.06 0.49 0.00 -1.51 0.00 0.00 72.50 69.29 1xg3 s THR 159 CO 0.04 0.56 1.41 0.47 -2.21 0.00 0.00 174.62 174.89 1xg3 n ASP 160 N 2.94 3.77 0.20 8.08 8.00 -1.26 -1.71 116.55 136.57 1xg3 n ASP 160 Ca -0.18 -2.57 0.14 0.00 0.71 0.00 0.00 54.79 52.90 1xg3 n ASP 160 Cb 0.52 -0.45 0.51 0.00 -0.02 0.00 0.00 41.12 41.68 1xg3 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xg3 h ALA 161 N 2.33 1.00 -0.11 2.24 0.00 -1.93 -3.35 119.26 119.44 1xg3 h ALA 161 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xg3 h ALA 161 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1xg3 h ALA 161 CO 0.16 0.00 -0.10 1.25 0.00 0.00 0.00 179.25 180.56 1xg3 h LEU 162 N 0.00 -0.31 -1.37 0.00 5.85 -1.84 0.40 115.31 118.04 1xg3 h LEU 162 Ca 0.00 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1xg3 h LEU 162 Cb 0.58 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1xg3 h LEU 162 CO 0.00 -0.13 -0.25 0.00 -0.34 0.00 0.00 178.44 177.72 1xg3 h ALA 163 N 0.96 1.16 0.04 1.25 0.00 -1.89 -1.20 119.26 119.58 1xg3 h ALA 163 Ca 0.07 -0.22 -0.35 0.00 0.00 0.00 0.00 54.91 54.42 1xg3 h ALA 163 Cb 0.23 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1xg3 h ALA 163 CO -0.18 0.31 -1.95 0.28 0.00 0.00 0.00 179.25 177.71 1xg3 n VAL 164 N -3.61 1.61 0.23 0.00 0.31 -0.98 -4.70 118.33 111.19 1xg3 n VAL 164 Ca -0.01 -0.39 0.03 0.00 -0.01 0.00 0.00 64.34 63.96 1xg3 n VAL 164 Cb 0.38 -1.81 -0.01 0.00 -0.91 0.00 0.00 33.84 31.49 1xg3 n VAL 164 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xg3 n GLU 165 N -3.90 2.88 0.00 5.55 1.02 0.14 -5.12 120.64 121.20 1xg3 n GLU 165 Ca -0.39 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.38 1xg3 n GLU 165 Cb 0.89 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 31.41 1xg3 n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xg3 n GLY 166 N 0.76 0.19 0.22 0.62 0.00 -0.45 -4.45 105.19 102.07 1xg3 n GLY 166 Ca 0.02 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.05 1xg3 n GLY 166 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xg3 h LEU 167 N 0.00 -0.42 -0.76 0.99 5.85 -1.88 -1.50 115.31 117.59 1xg3 h LEU 167 Ca 0.00 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1xg3 h LEU 167 Cb 0.00 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1xg3 h LEU 167 CO 0.00 -0.28 0.47 0.44 -0.34 0.00 0.00 178.44 178.73 1xg3 h ASP 168 N -0.53 0.75 -0.64 1.25 3.32 -1.98 0.71 116.42 119.30 1xg3 h ASP 168 Ca -0.05 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1xg3 h ASP 168 Cb 0.40 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1xg3 h ASP 168 CO 0.08 0.50 0.07 0.00 -1.72 0.00 0.00 179.24 178.17 1xg3 h ALA 169 N 1.35 0.85 -0.63 3.45 0.00 -1.77 -0.28 119.26 122.23 1xg3 h ALA 169 Ca 0.32 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1xg3 h ALA 169 Cb 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1xg3 h ALA 169 CO -0.15 0.64 0.23 0.00 0.00 0.00 0.00 179.25 179.97 1xg3 h ALA 170 N 1.02 0.82 -0.46 0.00 0.00 -0.35 -0.73 119.26 119.56 1xg3 h ALA 170 Ca 0.19 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1xg3 h ALA 170 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xg3 h ALA 170 CO 0.02 0.47 -0.23 0.82 0.00 0.00 0.00 179.25 180.33 1xg3 h ILE 171 N 0.90 1.27 -0.45 0.00 2.04 -0.66 -0.97 117.51 119.64 1xg3 h ILE 171 Ca 0.21 -1.38 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1xg3 h ILE 171 Cb 0.25 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1xg3 h ILE 171 CO -0.01 0.47 0.26 -0.08 0.00 0.00 0.00 178.15 178.79 1xg3 h GLU 172 N 0.82 0.62 -0.51 2.37 4.81 -0.77 -0.97 114.58 120.95 1xg3 h GLU 172 Ca 0.11 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1xg3 h GLU 172 Cb 0.79 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1xg3 h GLU 172 CO 0.07 0.48 0.31 0.00 -0.73 0.00 0.00 179.01 179.13 1xg3 h ARG 173 N 0.59 0.70 -0.93 1.92 3.08 -0.97 -2.23 114.38 116.54 1xg3 h ARG 173 Ca 0.16 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.22 1xg3 h ARG 173 Cb 0.03 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 29.86 1xg3 h ARG 173 CO -0.03 0.51 0.58 0.00 -1.07 0.00 0.00 179.97 179.97 1xg3 h ALA 174 N 1.15 1.30 -0.50 0.04 0.00 -0.59 0.94 119.26 121.59 1xg3 h ALA 174 Ca 0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1xg3 h ALA 174 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1xg3 h ALA 174 CO -0.03 0.32 -0.08 1.96 0.00 0.00 0.00 179.25 181.41 1xg3 h GLN 175 N 1.04 0.91 -0.32 0.00 4.20 -0.89 -1.74 115.11 118.31 1xg3 h GLN 175 Ca 0.41 -0.31 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 1xg3 h GLN 175 Cb 0.22 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1xg3 h GLN 175 CO -0.19 0.96 -0.25 0.00 -0.67 0.00 0.00 178.83 178.68 1xg3 h ALA 176 N 1.07 0.98 -0.43 3.87 0.00 -0.64 -0.75 119.26 123.37 1xg3 h ALA 176 Ca 0.14 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1xg3 h ALA 176 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xg3 h ALA 176 CO 0.04 0.60 -0.04 1.88 0.00 0.00 0.00 179.25 181.73 1xg3 h TYR 177 N 0.55 0.87 -0.20 0.00 0.05 -0.57 -1.42 116.97 116.25 1xg3 h TYR 177 Ca 0.08 -0.17 -0.16 0.00 0.05 0.00 0.00 58.73 58.53 1xg3 h TYR 177 Cb 0.71 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 1xg3 h TYR 177 CO 0.03 0.87 -0.52 0.28 -1.05 0.00 0.00 178.16 177.77 1xg3 h VAL 178 N 0.62 1.32 0.00 -2.88 2.07 -1.25 -1.84 116.25 114.30 1xg3 h VAL 178 Ca 0.12 -1.76 -0.04 0.00 0.82 0.00 0.00 66.70 65.84 1xg3 h VAL 178 Cb 0.55 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1xg3 h VAL 178 CO 0.03 0.55 -0.17 -0.08 0.02 0.00 0.00 177.57 177.92 1xg3 h GLU 179 N 0.44 0.00 0.00 1.57 4.57 -0.92 -0.66 114.58 119.57 1xg3 h GLU 179 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1xg3 h GLU 179 Cb 1.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1xg3 h GLU 179 CO 0.10 0.17 0.00 0.00 -1.18 0.00 0.00 179.01 178.10 1xg3 n ALA 180 N -2.49 2.45 0.00 2.92 0.00 -0.55 -4.87 120.51 117.96 1xg3 n ALA 180 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1xg3 n ALA 180 Cb 0.24 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1xg3 n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xg3 n GLY 181 N 1.09 1.17 3.70 0.00 0.00 -0.26 -4.35 105.19 106.53 1xg3 n GLY 181 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1xg3 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xg3 n ALA 182 N -0.16 1.96 0.03 4.61 0.00 -0.74 -4.89 120.51 121.32 1xg3 n ALA 182 Ca 0.00 0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.85 1xg3 n ALA 182 Cb 0.00 -2.40 -0.09 0.00 0.00 0.00 0.00 19.45 16.97 1xg3 n ALA 182 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xg3 n GLU 183 N 2.72 0.63 -3.96 0.00 1.02 0.21 -4.56 120.64 116.69 1xg3 n GLU 183 Ca 0.12 0.19 -0.08 0.00 -0.02 0.00 0.00 57.16 57.37 1xg3 n GLU 183 Cb 0.33 -1.78 -0.08 0.00 -0.02 0.00 0.00 31.44 29.89 1xg3 n GLU 183 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1xg3 s MET 184 N -2.95 0.82 -0.02 3.49 -1.94 -1.23 -4.26 119.30 113.22 1xg3 s MET 184 Ca -0.03 -1.10 0.06 0.00 -1.71 0.00 0.00 55.69 52.91 1xg3 s MET 184 Cb 0.09 0.30 -0.01 0.00 2.01 0.00 0.00 34.83 37.21 1xg3 s MET 184 CO 0.82 -0.24 -0.19 -1.17 -0.01 0.00 0.00 175.02 174.22 1xg3 s LEU 185 N -2.91 2.04 -0.50 -0.03 2.96 -0.06 -1.63 118.68 118.54 1xg3 s LEU 185 Ca 0.09 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1xg3 s LEU 185 Cb 0.06 -0.99 0.13 0.00 0.50 0.00 0.00 46.19 45.89 1xg3 s LEU 185 CO -0.08 0.23 0.25 0.12 -1.32 0.00 0.00 176.35 175.55 1xg3 s PHE 186 N -0.44 3.05 -0.43 5.38 2.19 0.49 -0.53 117.98 127.69 1xg3 s PHE 186 Ca 0.07 -3.08 -0.27 0.00 0.33 0.00 0.00 56.93 53.98 1xg3 s PHE 186 Cb -0.07 -2.71 0.02 0.00 -1.31 0.00 0.00 43.02 38.95 1xg3 s PHE 186 CO -0.01 -0.75 1.00 -1.25 1.83 0.00 0.00 175.22 176.04 1xg3 s PRO 187 N -0.17 3.72 0.43 10.12 0.04 -1.26 -1.51 135.00 146.38 1xg3 s PRO 187 Ca 0.17 0.48 -0.21 0.00 0.04 0.00 0.00 61.00 61.47 1xg3 s PRO 187 Cb -0.26 -3.87 -0.11 0.00 0.04 0.00 0.00 34.50 30.31 1xg3 s PRO 187 CO -0.00 -1.16 0.95 -2.00 0.04 0.00 0.00 177.00 174.83 1xg3 s GLU 188 N 3.87 4.22 -1.54 4.56 2.56 -0.70 -4.29 118.70 127.38 1xg3 s GLU 188 Ca 0.41 1.13 -0.09 0.00 0.00 0.00 0.00 54.97 56.43 1xg3 s GLU 188 Cb -0.10 -2.19 0.07 0.00 2.00 0.00 0.00 34.13 33.91 1xg3 s GLU 188 CO 0.25 -0.04 0.60 0.00 -0.56 0.00 0.00 175.26 175.50 1xg3 n ALA 189 N -0.63 -1.65 -1.89 6.30 0.00 -1.26 -4.78 120.51 116.59 1xg3 n ALA 189 Ca 0.07 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 1xg3 n ALA 189 Cb 0.54 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 1xg3 n ALA 189 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xg3 s ILE 190 N -3.65 2.91 -0.03 0.00 -1.09 -1.26 -4.76 121.20 113.31 1xg3 s ILE 190 Ca 0.35 0.80 0.22 0.00 -2.23 0.00 0.00 60.65 59.78 1xg3 s ILE 190 Cb -0.19 -3.51 -0.33 0.00 -1.58 0.00 0.00 42.46 36.85 1xg3 s ILE 190 CO 0.90 0.14 0.47 0.35 -1.23 0.00 0.00 174.94 175.57 1xg3 n THR 191 N 2.02 0.03 -4.65 2.92 -2.24 -1.26 -4.10 114.28 107.00 1xg3 n THR 191 Ca 0.05 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.09 1xg3 n THR 191 Cb 0.42 -0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.49 1xg3 n THR 191 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xg3 s GLU 192 N -3.48 1.32 0.23 -0.78 2.02 -1.26 -4.62 118.70 112.13 1xg3 s GLU 192 Ca -0.08 -0.49 -0.07 0.00 0.02 0.00 0.00 54.97 54.35 1xg3 s GLU 192 Cb 0.14 -1.21 0.40 0.00 0.10 0.00 0.00 34.13 33.56 1xg3 s GLU 192 CO 0.90 0.24 1.68 1.25 0.02 0.00 0.00 175.26 179.34 1xg3 h LEU 193 N 6.10 -0.09 -1.79 1.80 6.46 -2.00 -1.20 115.31 124.59 1xg3 h LEU 193 Ca -0.34 0.15 0.19 0.00 -0.12 0.00 0.00 57.88 57.76 1xg3 h LEU 193 Cb 1.17 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 41.28 1xg3 h LEU 193 CO 0.48 -0.07 0.52 0.00 -0.62 0.00 0.00 178.44 178.76 1xg3 h ALA 194 N 1.59 2.42 -0.88 1.25 0.00 -1.97 -1.17 119.26 120.50 1xg3 h ALA 194 Ca 0.38 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.30 1xg3 h ALA 194 Cb 0.64 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1xg3 h ALA 194 CO -0.52 -0.64 0.58 0.52 0.00 0.00 0.00 179.25 179.20 1xg3 h MET 195 N 0.19 1.12 -0.93 0.00 2.86 -1.64 -1.99 114.93 114.55 1xg3 h MET 195 Ca 0.37 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.97 1xg3 h MET 195 Cb 1.16 -0.25 -0.05 0.00 0.06 0.00 0.00 31.60 32.51 1xg3 h MET 195 CO -0.07 0.74 0.61 1.88 1.06 0.00 0.00 176.91 181.13 1xg3 h TYR 196 N 1.16 1.14 -0.60 -0.22 0.05 -1.33 -1.51 116.97 115.66 1xg3 h TYR 196 Ca 0.33 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 59.10 1xg3 h TYR 196 Cb -0.08 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 37.25 1xg3 h TYR 196 CO -0.00 0.65 0.21 -0.09 -1.05 0.00 0.00 178.16 177.89 1xg3 h ARG 197 N 1.17 0.88 -0.64 4.88 9.65 -1.32 0.10 114.38 129.11 1xg3 h ARG 197 Ca 0.37 -0.15 -0.07 0.00 -1.10 0.00 0.00 59.98 59.03 1xg3 h ARG 197 Cb 0.00 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.41 1xg3 h ARG 197 CO -0.12 0.74 0.11 1.96 2.80 0.00 0.00 179.97 185.46 1xg3 h GLN 198 N 0.87 1.05 -0.26 0.20 4.20 -0.92 -0.42 115.11 119.83 1xg3 h GLN 198 Ca 0.20 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1xg3 h GLN 198 Cb 0.21 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1xg3 h GLN 198 CO -0.01 0.97 -0.00 0.74 -0.67 0.00 0.00 178.83 179.86 1xg3 h PHE 199 N 0.97 0.50 -0.86 2.96 0.04 -0.77 -1.67 116.94 118.10 1xg3 h PHE 199 Ca 0.19 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.92 1xg3 h PHE 199 Cb 0.43 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 38.39 1xg3 h PHE 199 CO 0.03 0.62 0.55 0.00 -0.60 0.00 0.00 178.31 178.91 1xg3 h ALA 200 N 0.81 1.15 0.00 2.45 0.00 -0.77 -1.77 119.26 121.14 1xg3 h ALA 200 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1xg3 h ALA 200 Cb 0.42 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1xg3 h ALA 200 CO 0.01 0.35 -0.50 -0.44 0.00 0.00 0.00 179.25 178.67 1xg3 h ASP 201 N 1.04 0.00 0.61 0.00 3.32 -0.99 -2.37 116.42 118.03 1xg3 h ASP 201 Ca 0.36 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.14 1xg3 h ASP 201 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1xg3 h ASP 201 CO -0.14 0.50 -1.20 0.00 -1.72 0.00 0.00 179.24 176.68 1xg3 h ALA 202 N 1.50 0.13 0.00 3.45 0.00 -0.54 -3.39 119.26 120.41 1xg3 h ALA 202 Ca -0.01 -0.86 -0.09 0.00 0.00 0.00 0.00 54.91 53.95 1xg3 h ALA 202 Cb 0.97 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1xg3 h ALA 202 CO 0.07 0.96 -1.72 1.33 0.00 0.00 0.00 179.25 179.88 1xg3 n VAL 203 N -3.55 0.35 -2.60 0.00 0.24 -0.74 -4.88 118.33 107.15 1xg3 n VAL 203 Ca -0.08 -0.40 -0.20 0.00 -2.04 0.00 0.00 64.34 61.62 1xg3 n VAL 203 Cb 1.00 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 1xg3 n VAL 203 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xg3 n GLN 204 N -2.18 -2.63 -4.35 7.34 1.13 -0.89 -4.99 117.38 110.80 1xg3 n GLN 204 Ca -0.10 0.91 -0.19 0.00 -1.94 0.00 0.00 57.00 55.68 1xg3 n GLN 204 Cb 0.58 -5.62 -0.10 0.00 0.11 0.00 0.00 30.24 25.21 1xg3 n GLN 204 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1xg3 s VAL 205 N -3.01 1.73 0.26 5.09 -7.23 -1.26 -5.10 120.40 110.88 1xg3 s VAL 205 Ca 0.09 -2.21 -0.31 0.00 -1.81 0.00 0.00 61.98 57.75 1xg3 s VAL 205 Cb -0.04 -2.09 -0.12 0.00 0.56 0.00 0.00 36.38 34.69 1xg3 s VAL 205 CO 0.11 -0.56 1.52 -2.65 -0.31 0.00 0.00 175.10 173.21 1xg3 n PRO 206 N -0.40 2.41 -4.44 4.82 -0.02 -1.26 -4.70 135.00 131.41 1xg3 n PRO 206 Ca -0.08 0.86 -0.34 0.00 -2.02 0.00 0.00 63.50 61.92 1xg3 n PRO 206 Cb 0.61 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 1xg3 n PRO 206 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1xg3 s ILE 207 N 0.08 4.03 -0.12 4.25 -4.36 -1.26 -0.88 121.20 122.94 1xg3 s ILE 207 Ca 0.67 -0.45 -0.02 0.00 -0.26 0.00 0.00 60.65 60.59 1xg3 s ILE 207 Cb -0.57 -2.71 -0.03 0.00 1.25 0.00 0.00 42.46 40.40 1xg3 s ILE 207 CO 0.48 0.53 -0.02 -0.22 0.24 0.00 0.00 174.94 175.94 1xg3 s LEU 208 N -1.07 3.38 -0.20 0.37 0.20 0.31 -1.64 118.68 120.03 1xg3 s LEU 208 Ca 0.15 -0.00 -0.05 0.00 0.69 0.00 0.00 54.13 54.91 1xg3 s LEU 208 Cb -0.11 -1.79 -0.03 0.00 -0.43 0.00 0.00 46.19 43.83 1xg3 s LEU 208 CO 0.04 0.28 0.01 0.00 -0.29 0.00 0.00 176.35 176.39 1xg3 s ALA 209 N -0.29 3.09 -0.83 5.97 0.00 -0.17 -3.98 121.76 125.56 1xg3 s ALA 209 Ca 0.05 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 50.86 1xg3 s ALA 209 Cb -0.12 -1.80 0.12 0.00 0.00 0.00 0.00 23.12 21.31 1xg3 s ALA 209 CO 0.02 -0.10 1.03 1.21 0.00 0.00 0.00 175.76 177.92 1xg3 s ASN 210 N 0.92 6.48 -1.29 0.00 2.47 -1.26 -0.36 114.94 121.90 1xg3 s ASN 210 Ca 0.02 -1.77 -0.08 0.00 0.42 0.00 0.00 52.86 51.45 1xg3 s ASN 210 Cb -0.14 -2.38 0.15 0.00 -1.45 0.00 0.00 41.25 37.43 1xg3 s ASN 210 CO 0.02 -1.13 2.06 -0.38 -3.72 0.00 0.00 177.10 173.95 1xg3 n ILE 211 N 5.53 4.72 -3.29 -5.21 2.08 0.42 -4.85 119.36 118.76 1xg3 n ILE 211 Ca 0.14 -4.40 -0.30 0.00 0.56 0.00 0.00 62.75 58.75 1xg3 n ILE 211 Cb 0.47 -2.24 -0.04 0.00 -0.75 0.00 0.00 39.64 37.08 1xg3 n ILE 211 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1xg3 s THR 212 N -0.29 4.96 0.57 1.39 -1.32 -1.26 -4.57 115.64 115.12 1xg3 s THR 212 Ca 0.45 0.25 -0.11 0.00 -1.21 0.00 0.00 61.69 61.07 1xg3 s THR 212 Cb 0.13 -3.70 -0.05 0.00 -1.51 0.00 0.00 72.50 67.37 1xg3 s THR 212 CO -0.03 -0.29 0.97 -1.61 -2.21 0.00 0.00 174.62 171.45 1xg3 s GLU 213 N -3.40 3.67 -1.45 7.08 8.01 -1.26 -4.23 118.70 127.11 1xg3 s GLU 213 Ca 0.46 0.69 -0.09 0.00 0.01 0.00 0.00 54.97 56.04 1xg3 s GLU 213 Cb -0.11 -2.15 0.04 0.00 -4.31 0.00 0.00 34.13 27.60 1xg3 s GLU 213 CO 0.28 -0.43 0.72 1.19 0.01 0.00 0.00 175.26 177.03 1xg3 n PHE 214 N -2.37 -2.10 -2.41 1.61 3.72 -1.26 -4.95 117.46 109.70 1xg3 n PHE 214 Ca 0.05 0.65 0.00 0.00 -0.05 0.00 0.00 57.45 58.10 1xg3 n PHE 214 Cb 0.54 -3.98 0.00 0.00 -0.94 0.00 0.00 39.48 35.10 1xg3 n PHE 214 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xg3 n GLY 215 N -1.51 6.03 0.03 1.37 0.00 -1.26 -5.04 105.19 104.81 1xg3 n GLY 215 Ca -0.04 -1.78 0.12 0.00 0.00 0.00 0.00 46.02 44.33 1xg3 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xg3 n ALA 216 N -3.00 3.00 -2.78 4.61 0.00 -1.26 -4.88 120.51 116.20 1xg3 n ALA 216 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.85 1xg3 n ALA 216 Cb 0.00 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 18.12 1xg3 n ALA 216 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xg3 s THR 217 N -3.06 5.08 0.90 0.00 2.01 -1.26 -4.49 115.64 114.82 1xg3 s THR 217 Ca 0.10 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 1xg3 s THR 217 Cb 0.16 -3.31 0.14 0.00 0.01 0.00 0.00 72.50 69.50 1xg3 s THR 217 CO 0.66 0.44 1.15 -2.65 -0.69 0.00 0.00 174.62 173.53 1xg3 n PRO 218 N 3.59 -0.37 -2.43 4.92 -0.02 -1.26 -4.84 135.00 134.59 1xg3 n PRO 218 Ca -0.16 -0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 60.85 1xg3 n PRO 218 Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1xg3 n PRO 218 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xg3 n LEU 219 N -4.07 5.57 -4.77 2.45 4.77 -1.26 -4.96 117.00 114.74 1xg3 n LEU 219 Ca 0.12 -4.12 -0.39 0.00 -0.03 0.00 0.00 56.01 51.59 1xg3 n LEU 219 Cb 0.52 -1.69 -0.01 0.00 -2.33 0.00 0.00 43.42 39.91 1xg3 n LEU 219 CO 0.49 0.57 0.91 -0.36 -1.33 0.00 0.00 177.39 177.67 1xg3 s PHE 220 N 3.22 2.94 0.75 -1.77 0.08 -1.26 -5.02 117.98 116.92 1xg3 s PHE 220 Ca 0.49 1.47 -0.10 0.00 0.12 0.00 0.00 56.93 58.92 1xg3 s PHE 220 Cb 0.06 -3.56 0.06 0.00 -0.57 0.00 0.00 43.02 39.01 1xg3 s PHE 220 CO 0.02 -1.75 1.10 0.95 -0.10 0.00 0.00 175.22 175.44 1xg3 s THR 221 N -1.31 2.42 0.36 0.64 -4.23 -1.26 -4.90 115.64 107.36 1xg3 s THR 221 Ca 0.56 -0.01 0.10 0.00 -1.18 0.00 0.00 61.69 61.16 1xg3 s THR 221 Cb -0.35 -3.10 0.10 0.00 1.34 0.00 0.00 72.50 70.48 1xg3 s THR 221 CO 0.45 -0.12 1.82 0.71 -0.54 0.00 0.00 174.62 176.93 1xg3 h THR 222 N -0.79 1.25 -0.30 3.99 1.35 -1.99 -1.74 112.91 114.68 1xg3 h THR 222 Ca -0.45 -1.20 -0.05 0.00 -0.55 0.00 0.00 66.41 64.15 1xg3 h THR 222 Cb 1.31 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 1xg3 h THR 222 CO 0.64 0.35 -0.01 0.44 -0.25 0.00 0.00 175.52 176.69 1xg3 h ASP 223 N 0.11 0.53 -0.64 5.36 3.32 -1.95 -0.33 116.42 122.81 1xg3 h ASP 223 Ca 0.01 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1xg3 h ASP 223 Cb 0.62 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1xg3 h ASP 223 CO 0.05 0.72 0.34 -0.33 -1.72 0.00 0.00 179.24 178.30 1xg3 h GLU 224 N 0.33 0.91 -0.65 3.56 5.08 -1.88 -1.63 114.58 120.30 1xg3 h GLU 224 Ca 0.08 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1xg3 h GLU 224 Cb 0.46 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1xg3 h GLU 224 CO 0.02 0.70 0.28 -0.07 -1.00 0.00 0.00 179.01 178.93 1xg3 h LEU 225 N 0.88 0.88 -0.99 1.33 3.38 -1.18 -2.42 115.31 117.20 1xg3 h LEU 225 Ca 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1xg3 h LEU 225 Cb 0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1xg3 h LEU 225 CO -0.03 0.80 0.45 -0.09 0.09 0.00 0.00 178.44 179.66 1xg3 h ARG 226 N 0.91 1.16 0.00 1.13 2.43 -0.70 -1.10 114.38 118.22 1xg3 h ARG 226 Ca 0.22 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1xg3 h ARG 226 Cb 0.18 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1xg3 h ARG 226 CO -0.02 0.85 -0.11 0.66 -1.51 0.00 0.00 179.97 179.85 1xg3 h SER 227 N 1.17 0.00 -0.52 -3.80 4.64 -0.83 -0.77 113.55 113.44 1xg3 h SER 227 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1xg3 h SER 227 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1xg3 h SER 227 CO -0.05 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1xg3 n ALA 228 N -2.33 2.42 -2.91 5.18 0.00 -0.57 -4.93 120.51 117.36 1xg3 n ALA 228 Ca -0.02 -0.94 -0.16 0.00 0.00 0.00 0.00 53.44 52.32 1xg3 n ALA 228 Cb 0.21 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.73 1xg3 n ALA 228 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xg3 n HIS 229 N 1.09 -1.55 -3.22 0.00 -0.00 -0.30 -3.17 115.22 108.07 1xg3 n HIS 229 Ca 0.18 0.46 -0.39 0.00 -0.00 0.00 0.00 57.72 57.97 1xg3 n HIS 229 Cb 0.47 -3.58 -0.06 0.00 -0.00 0.00 0.00 29.99 26.82 1xg3 n HIS 229 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1xg3 s VAL 230 N -3.05 5.11 0.07 1.59 1.01 -0.52 -4.67 120.40 119.94 1xg3 s VAL 230 Ca 0.26 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.37 1xg3 s VAL 230 Cb -0.12 -3.88 -0.22 0.00 0.00 0.00 0.00 36.38 32.16 1xg3 s VAL 230 CO 0.33 0.22 1.09 0.00 0.00 0.00 0.00 175.10 176.74 1xg3 h ALA 231 N 7.15 0.44 -3.95 5.51 0.00 -1.63 -3.40 119.26 123.38 1xg3 h ALA 231 Ca -0.36 -1.06 -0.38 0.00 0.00 0.00 0.00 54.91 53.11 1xg3 h ALA 231 Cb 1.16 0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.71 1xg3 h ALA 231 CO 0.75 1.31 -0.77 -1.64 0.00 0.00 0.00 179.25 178.90 1xg3 s MET 232 N -2.67 0.69 -0.20 0.00 -1.94 -0.97 -0.68 119.30 113.52 1xg3 s MET 232 Ca -0.01 -0.35 -0.01 0.00 -1.71 0.00 0.00 55.69 53.60 1xg3 s MET 232 Cb 0.09 -0.65 0.01 0.00 2.01 0.00 0.00 34.83 36.29 1xg3 s MET 232 CO 0.83 0.18 -0.13 0.00 -0.01 0.00 0.00 175.02 175.88 1xg3 s ALA 233 N -0.30 2.54 -0.13 3.03 0.00 0.26 -1.00 121.76 126.16 1xg3 s ALA 233 Ca 0.02 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 1xg3 s ALA 233 Cb -0.04 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.63 1xg3 s ALA 233 CO -0.00 -0.40 0.07 -1.17 0.00 0.00 0.00 175.76 174.26 1xg3 s LEU 234 N 1.37 3.93 -0.58 0.00 2.96 0.52 -0.05 118.68 126.82 1xg3 s LEU 234 Ca 0.05 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.23 1xg3 s LEU 234 Cb -0.14 -1.95 0.18 0.00 0.50 0.00 0.00 46.19 44.78 1xg3 s LEU 234 CO -0.09 0.31 0.45 -1.22 -1.32 0.00 0.00 176.35 174.48 1xg3 n TYR 235 N 2.64 1.52 -0.32 5.38 4.01 -0.48 -0.44 117.16 129.47 1xg3 n TYR 235 Ca -0.18 -3.89 0.03 0.00 -0.16 0.00 0.00 57.90 53.70 1xg3 n TYR 235 Cb 0.53 -0.27 0.17 0.00 -0.31 0.00 0.00 39.34 39.47 1xg3 n TYR 235 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xg3 h PRO 236 N 5.37 0.93 0.00 -0.72 0.13 -1.84 0.20 132.00 136.08 1xg3 h PRO 236 Ca 0.20 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1xg3 h PRO 236 Cb 0.81 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1xg3 h PRO 236 CO 0.58 0.62 0.00 1.28 -0.23 0.00 0.00 178.00 180.25 1xg3 n LEU 237 N -4.63 0.62 -0.24 1.56 4.77 -1.26 -4.08 117.00 113.74 1xg3 n LEU 237 Ca 0.14 -0.62 -0.04 0.00 -0.03 0.00 0.00 56.01 55.47 1xg3 n LEU 237 Cb 0.24 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1xg3 n LEU 237 CO 0.29 0.15 0.63 0.28 -1.33 0.00 0.00 177.39 177.42 1xg3 h SER 238 N 0.00 -1.15 -0.47 -1.43 0.02 -1.91 0.15 113.55 108.77 1xg3 h SER 238 Ca 0.00 0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1xg3 h SER 238 Cb 0.71 0.59 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1xg3 h SER 238 CO 0.00 -0.30 -0.18 0.00 -1.14 0.00 0.00 176.83 175.21 1xg3 h ALA 239 N 1.14 0.75 -0.51 3.77 0.00 -1.87 -2.94 119.26 119.60 1xg3 h ALA 239 Ca 0.26 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1xg3 h ALA 239 Cb 0.56 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1xg3 h ALA 239 CO -0.74 0.67 0.23 0.35 0.00 0.00 0.00 179.25 179.77 1xg3 h PHE 240 N 0.85 0.42 -0.71 0.00 3.57 -1.54 0.42 116.94 119.96 1xg3 h PHE 240 Ca 0.12 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1xg3 h PHE 240 Cb 0.75 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1xg3 h PHE 240 CO 0.05 0.18 0.44 0.00 -2.23 0.00 0.00 178.31 176.75 1xg3 h ARG 241 N 0.45 0.95 -0.22 1.11 3.08 -0.59 -1.22 114.38 117.94 1xg3 h ARG 241 Ca 0.24 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 1xg3 h ARG 241 Cb 0.19 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1xg3 h ARG 241 CO -0.19 0.67 -0.43 0.00 -1.07 0.00 0.00 179.97 178.94 1xg3 h ALA 242 N 1.23 0.83 -0.65 0.04 0.00 -1.32 -2.89 119.26 116.50 1xg3 h ALA 242 Ca 0.26 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1xg3 h ALA 242 Cb -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1xg3 h ALA 242 CO -0.05 0.65 0.13 0.00 0.00 0.00 0.00 179.25 179.98 1xg3 h MET 243 N 0.45 1.04 -0.46 0.00 -0.00 -0.48 -2.31 114.93 113.17 1xg3 h MET 243 Ca 0.03 -0.26 -0.11 0.00 -0.00 0.00 0.00 59.70 59.36 1xg3 h MET 243 Cb 0.94 -0.13 -0.01 0.00 -0.00 0.00 0.00 31.60 32.39 1xg3 h MET 243 CO 0.08 0.94 -0.16 -0.91 -0.00 0.00 0.00 176.91 176.87 1xg3 h ASN 244 N 0.99 0.94 -0.61 -0.10 2.35 -1.12 -1.07 115.58 116.96 1xg3 h ASN 244 Ca 0.20 -0.38 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1xg3 h ASN 244 Cb 0.39 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1xg3 h ASN 244 CO 0.01 1.11 0.27 -0.09 -1.65 0.00 0.00 177.43 177.08 1xg3 h ARG 245 N 0.77 0.88 -0.55 0.81 9.65 -1.42 0.32 114.38 124.84 1xg3 h ARG 245 Ca 0.11 -0.14 -0.06 0.00 -1.10 0.00 0.00 59.98 58.79 1xg3 h ARG 245 Cb 0.72 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 1xg3 h ARG 245 CO 0.06 0.73 0.10 0.00 2.80 0.00 0.00 179.97 183.65 1xg3 h ALA 246 N 1.11 0.73 -0.30 2.80 0.00 -1.31 -1.05 119.26 121.23 1xg3 h ALA 246 Ca 0.21 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1xg3 h ALA 246 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xg3 h ALA 246 CO -0.02 0.46 0.05 0.00 0.00 0.00 0.00 179.25 179.73 1xg3 h ALA 247 N 1.00 0.40 -0.76 0.00 0.00 -0.99 -2.45 119.26 116.46 1xg3 h ALA 247 Ca 0.17 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xg3 h ALA 247 Cb 0.40 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1xg3 h ALA 247 CO 0.01 0.10 0.48 1.49 0.00 0.00 0.00 179.25 181.32 1xg3 h GLU 248 N 0.32 0.89 -0.24 0.00 4.81 -0.76 -1.39 114.58 118.21 1xg3 h GLU 248 Ca 0.09 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1xg3 h GLU 248 Cb 0.35 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1xg3 h GLU 248 CO 0.01 0.59 0.11 1.25 -0.73 0.00 0.00 179.01 180.23 1xg3 h HIS 249 N 0.92 0.20 -0.34 0.92 2.76 -1.02 -0.72 115.15 117.86 1xg3 h HIS 249 Ca 0.31 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.51 1xg3 h HIS 249 Cb 0.06 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 1xg3 h HIS 249 CO -0.04 0.11 0.18 0.28 -1.30 0.00 0.00 177.93 177.16 1xg3 h VAL 250 N 0.23 1.01 -0.31 5.26 2.07 -0.98 -0.72 116.25 122.81 1xg3 h VAL 250 Ca 0.10 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1xg3 h VAL 250 Cb 0.04 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1xg3 h VAL 250 CO -0.08 0.07 0.16 1.88 0.02 0.00 0.00 177.57 179.62 1xg3 h TYR 251 N 0.37 0.30 -0.06 1.57 0.05 -0.90 -1.08 116.97 117.23 1xg3 h TYR 251 Ca 0.14 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 1xg3 h TYR 251 Cb 0.03 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.68 1xg3 h TYR 251 CO -0.09 0.17 0.03 -0.91 -1.05 0.00 0.00 178.16 176.31 1xg3 h ASN 252 N 0.34 0.08 -0.50 3.88 2.35 -0.86 -1.88 115.58 118.98 1xg3 h ASN 252 Ca 0.13 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1xg3 h ASN 252 Cb 0.03 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1xg3 h ASN 252 CO -0.08 0.19 0.32 0.58 -1.65 0.00 0.00 177.43 176.79 1xg3 h VAL 253 N -0.04 1.14 -0.66 2.81 2.07 -1.04 -0.78 116.25 119.75 1xg3 h VAL 253 Ca 0.02 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1xg3 h VAL 253 Cb 0.13 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1xg3 h VAL 253 CO -0.00 0.14 0.32 0.25 0.02 0.00 0.00 177.57 178.30 1xg3 h LEU 254 N 0.68 0.84 -0.25 2.57 6.46 -1.16 0.21 115.31 124.67 1xg3 h LEU 254 Ca 0.18 -0.09 -0.21 0.00 -0.12 0.00 0.00 57.88 57.65 1xg3 h LEU 254 Cb -0.05 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 39.67 1xg3 h LEU 254 CO -0.04 0.71 -0.71 -0.09 -0.62 0.00 0.00 178.44 177.69 1xg3 h ARG 255 N 0.94 0.75 0.14 1.25 9.65 -0.92 -1.36 114.38 124.82 1xg3 h ARG 255 Ca 0.23 -0.57 -0.29 0.00 -1.10 0.00 0.00 59.98 58.25 1xg3 h ARG 255 Cb 0.09 0.11 0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1xg3 h ARG 255 CO -0.03 1.19 -1.26 1.96 2.80 0.00 0.00 179.97 184.62 1xg3 h GLN 256 N 0.53 0.50 0.00 0.20 4.20 -0.87 -3.36 115.11 116.30 1xg3 h GLN 256 Ca -0.03 -0.72 -0.00 0.00 0.06 0.00 0.00 58.65 57.96 1xg3 h GLN 256 Cb 1.32 0.25 -0.00 0.00 0.30 0.00 0.00 27.48 29.35 1xg3 h GLN 256 CO 0.14 1.32 -1.22 0.39 -0.67 0.00 0.00 178.83 178.79 1xg3 n GLU 257 N -3.71 0.62 -1.00 1.46 -0.58 0.72 -4.97 120.64 113.18 1xg3 n GLU 257 Ca -0.12 0.05 -0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1xg3 n GLU 257 Cb 1.00 -1.76 -0.00 0.00 -0.57 0.00 0.00 31.44 30.11 1xg3 n GLU 257 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xg3 n GLY 258 N 1.20 0.47 3.54 0.62 0.00 -0.51 -4.99 105.19 105.52 1xg3 n GLY 258 Ca -0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1xg3 n GLY 258 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xg3 s THR 259 N -1.98 0.00 -2.04 2.61 -1.32 -1.24 -5.05 115.64 106.63 1xg3 s THR 259 Ca 0.00 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.70 1xg3 s THR 259 Cb 0.00 -1.00 0.61 0.00 -1.51 0.00 0.00 72.50 70.60 1xg3 s THR 259 CO 0.00 0.00 1.51 0.00 -2.21 0.00 0.00 174.62 173.92 1xg3 n GLN 260 N 0.43 2.62 -0.27 7.08 0.00 -1.26 -4.24 117.38 121.74 1xg3 n GLN 260 Ca -0.12 -2.52 0.08 0.00 0.00 0.00 0.00 57.00 54.45 1xg3 n GLN 260 Cb 0.59 -1.55 0.20 0.00 0.00 0.00 0.00 30.24 29.49 1xg3 n GLN 260 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1xg3 h LYS 261 N 4.15 0.16 0.00 2.61 1.57 -1.97 -1.45 116.57 121.64 1xg3 h LYS 261 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xg3 h LYS 261 Cb 0.95 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1xg3 h LYS 261 CO 0.00 0.10 0.00 -1.13 -0.57 0.00 0.00 179.45 177.85 1xg3 n SER 262 N -5.28 0.06 -0.26 0.86 3.41 -1.26 -2.92 113.62 108.24 1xg3 n SER 262 Ca 0.16 0.51 0.03 0.00 -0.26 0.00 0.00 58.87 59.32 1xg3 n SER 262 Cb 0.54 -0.53 0.07 0.00 -0.26 0.00 0.00 64.21 64.04 1xg3 n SER 262 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xg3 n VAL 263 N -1.57 1.15 -0.02 -3.33 0.24 -0.56 -4.67 118.33 109.57 1xg3 n VAL 263 Ca 0.04 -1.16 0.06 0.00 -2.04 0.00 0.00 64.34 61.24 1xg3 n VAL 263 Cb 0.20 0.39 0.44 0.00 -1.47 0.00 0.00 33.84 33.40 1xg3 n VAL 263 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1xg3 h ILE 264 N 0.73 1.05 0.00 1.34 1.08 -1.39 -1.80 117.51 118.52 1xg3 h ILE 264 Ca 0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1xg3 h ILE 264 Cb 0.67 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 1xg3 h ILE 264 CO 0.01 0.09 0.00 -0.90 -0.69 0.00 0.00 178.15 176.67 1xg3 n ASP 265 N -4.48 0.00 -0.70 1.72 5.68 -1.26 -1.94 116.55 115.58 1xg3 n ASP 265 Ca 0.05 0.25 0.13 0.00 -0.50 0.00 0.00 54.79 54.72 1xg3 n ASP 265 Cb 0.14 -0.38 0.29 0.00 -1.14 0.00 0.00 41.12 40.03 1xg3 n ASP 265 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1xg3 n THR 266 N -1.38 0.00 -3.87 2.12 -2.24 -0.68 -4.95 114.28 103.28 1xg3 n THR 266 Ca 0.06 -0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 61.11 1xg3 n THR 266 Cb 0.16 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 1xg3 n THR 266 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1xg3 s MET 267 N -2.05 3.46 0.29 -0.78 -1.94 -0.82 -5.07 119.30 112.39 1xg3 s MET 267 Ca 0.32 -0.11 -0.30 0.00 -1.71 0.00 0.00 55.69 53.89 1xg3 s MET 267 Cb 0.20 -3.19 -0.10 0.00 2.01 0.00 0.00 34.83 33.75 1xg3 s MET 267 CO 0.34 0.78 1.45 -1.14 -0.01 0.00 0.00 175.02 176.43 1xg3 s GLN 268 N -1.05 4.24 0.79 2.03 0.74 -1.26 -4.97 119.66 120.17 1xg3 s GLN 268 Ca 0.16 2.37 -0.12 0.00 0.05 0.00 0.00 55.36 57.82 1xg3 s GLN 268 Cb -0.12 -3.07 0.06 0.00 1.10 0.00 0.00 33.01 30.98 1xg3 s GLN 268 CO 0.05 -0.43 1.12 0.95 -0.55 0.00 0.00 175.29 176.43 1xg3 s THR 269 N -0.33 2.77 0.21 -0.34 -4.23 -1.26 -4.86 115.64 107.59 1xg3 s THR 269 Ca 0.57 0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 61.26 1xg3 s THR 269 Cb -0.43 -3.14 0.11 0.00 1.34 0.00 0.00 72.50 70.38 1xg3 s THR 269 CO 0.48 -0.33 1.71 -0.09 -0.54 0.00 0.00 174.62 175.86 1xg3 h ARG 270 N -1.00 1.07 -0.75 3.99 2.43 -1.99 -0.70 114.38 117.42 1xg3 h ARG 270 Ca -0.47 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 58.39 1xg3 h ARG 270 Cb 1.29 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 1xg3 h ARG 270 CO 0.63 0.98 0.34 -0.91 -1.51 0.00 0.00 179.97 179.49 1xg3 h ASN 271 N 1.00 1.01 -0.42 -3.80 2.35 -1.99 -0.18 115.58 113.55 1xg3 h ASN 271 Ca 0.20 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1xg3 h ASN 271 Cb 0.42 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1xg3 h ASN 271 CO 0.01 0.88 0.08 -0.33 -1.65 0.00 0.00 177.43 176.42 1xg3 h GLU 272 N 1.07 0.69 -0.07 0.81 5.08 -1.84 -1.71 114.58 118.61 1xg3 h GLU 272 Ca 0.26 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1xg3 h GLU 272 Cb 0.16 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xg3 h GLU 272 CO -0.03 0.72 -0.01 1.25 -1.00 0.00 0.00 179.01 179.94 1xg3 h LEU 273 N 0.55 -0.05 -0.78 1.33 5.85 -0.79 -1.63 115.31 119.80 1xg3 h LEU 273 Ca 0.13 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1xg3 h LEU 273 Cb 0.35 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 1xg3 h LEU 273 CO 0.01 -0.01 0.44 1.88 -0.34 0.00 0.00 178.44 180.41 1xg3 h TYR 274 N 0.01 0.80 -0.66 1.25 -1.99 -0.92 -1.66 116.97 113.81 1xg3 h TYR 274 Ca 0.03 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.74 1xg3 h TYR 274 Cb 0.04 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.50 1xg3 h TYR 274 CO -0.12 0.35 0.23 0.93 -0.00 0.00 0.00 178.16 179.55 1xg3 h GLU 275 N 0.76 1.00 0.00 4.88 4.39 -0.96 0.40 114.58 125.05 1xg3 h GLU 275 Ca 0.37 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1xg3 h GLU 275 Cb 0.30 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1xg3 h GLU 275 CO -0.23 0.86 -0.12 0.66 -1.16 0.00 0.00 179.01 179.03 1xg3 h SER 276 N 0.94 0.00 -0.30 1.42 4.64 -0.37 -2.39 113.55 117.50 1xg3 h SER 276 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1xg3 h SER 276 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1xg3 h SER 276 CO -0.01 0.12 0.00 2.30 -0.87 0.00 0.00 176.83 178.37 1xg3 n ILE 277 N -3.90 1.59 -3.80 0.95 -5.35 -0.93 -4.79 119.36 103.13 1xg3 n ILE 277 Ca -0.02 -1.41 -0.27 0.00 -0.27 0.00 0.00 62.75 60.78 1xg3 n ILE 277 Cb 0.21 0.15 0.04 0.00 -1.74 0.00 0.00 39.64 38.30 1xg3 n ILE 277 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1xg3 n ASN 278 N 0.01 -4.06 0.20 7.28 3.02 -0.71 -4.93 115.26 116.05 1xg3 n ASN 278 Ca 0.16 -0.75 -0.15 0.00 -0.03 0.00 0.00 54.58 53.81 1xg3 n ASN 278 Cb 0.63 -4.13 -0.08 0.00 -0.61 0.00 0.00 39.78 35.59 1xg3 n ASN 278 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1xg3 h TYR 279 N -2.12 -1.22 -0.17 3.10 5.03 -1.22 -2.32 116.97 118.05 1xg3 h TYR 279 Ca -0.59 0.02 0.05 0.00 2.58 0.00 0.00 58.73 60.79 1xg3 h TYR 279 Cb 1.37 0.49 -0.01 0.00 1.55 0.00 0.00 36.73 40.13 1xg3 h TYR 279 CO 0.53 -0.55 0.25 1.88 -1.32 0.00 0.00 178.16 178.95 1xg3 h TYR 280 N -0.78 0.00 -0.61 -3.82 -1.99 -1.92 0.21 116.97 108.06 1xg3 h TYR 280 Ca -0.04 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.60 1xg3 h TYR 280 Cb 0.70 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.41 1xg3 h TYR 280 CO -0.29 0.00 0.01 0.37 -0.00 0.00 0.00 178.16 178.24 1xg3 h GLN 281 N 0.00 1.08 0.22 4.88 4.15 -1.80 -3.06 115.11 120.58 1xg3 h GLN 281 Ca 0.08 -0.34 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 1xg3 h GLN 281 Cb 0.58 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1xg3 h GLN 281 CO -0.00 1.05 -0.11 1.88 -1.93 0.00 0.00 178.83 179.72 1xg3 h TYR 282 N 0.98 -0.28 -0.90 3.99 -1.99 -0.43 -3.37 116.97 114.98 1xg3 h TYR 282 Ca 0.17 -0.01 0.28 0.00 2.00 0.00 0.00 58.73 61.18 1xg3 h TYR 282 Cb 0.55 0.09 -0.17 0.00 2.00 0.00 0.00 36.73 39.21 1xg3 h TYR 282 CO 0.04 -0.17 0.13 -0.85 -0.00 0.00 0.00 178.16 177.31 1xg3 n GLU 283 N -4.03 -0.07 -0.14 4.88 0.28 -0.84 0.11 120.64 120.84 1xg3 n GLU 283 Ca -0.04 1.32 -0.01 0.00 -0.16 0.00 0.00 57.16 58.27 1xg3 n GLU 283 Cb 0.12 -2.15 0.01 0.00 1.43 0.00 0.00 31.44 30.84 1xg3 n GLU 283 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1xg3 n GLU 284 N -5.24 1.05 0.00 3.44 2.13 -1.16 -5.11 120.64 115.75 1xg3 n GLU 284 Ca 0.24 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1xg3 n GLU 284 Cb 0.80 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 31.47 1xg3 n GLU 284 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35