#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg3 s LEU 3 N 0.00 3.52 0.35 2.46 1.43 -1.26 -4.97 118.68 120.21 1xg3 s LEU 3 Ca 0.00 2.13 -0.28 0.00 -1.03 0.00 0.00 54.13 54.95 1xg3 s LEU 3 Cb 0.00 -4.57 -0.11 0.00 0.03 0.00 0.00 46.19 41.54 1xg3 s LEU 3 CO 0.00 -1.57 1.41 -2.28 0.23 0.00 0.00 176.35 174.14 1xg3 s HIS 4 N -2.05 2.81 -0.26 0.29 5.65 -1.26 -5.01 115.29 115.46 1xg3 s HIS 4 Ca 0.71 1.26 0.01 0.00 0.25 0.00 0.00 55.06 57.28 1xg3 s HIS 4 Cb -0.23 -3.87 0.05 0.00 -1.18 0.00 0.00 32.58 27.35 1xg3 s HIS 4 CO 0.37 -2.50 -0.08 0.45 -0.65 0.00 0.00 174.74 172.33 1xg3 s SER 5 N -0.26 4.45 0.23 9.88 0.15 -1.26 -4.99 113.70 121.91 1xg3 s SER 5 Ca 0.52 -1.21 -0.07 0.00 0.70 0.00 0.00 55.95 55.88 1xg3 s SER 5 Cb -0.43 -1.61 0.25 0.00 -1.71 0.00 0.00 66.02 62.52 1xg3 s SER 5 CO 0.57 -0.18 1.87 -0.65 1.20 0.00 0.00 173.24 176.05 1xg3 h PRO 6 N 7.89 1.00 -0.97 5.44 0.11 -1.89 -1.60 132.00 141.98 1xg3 h PRO 6 Ca -0.24 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1xg3 h PRO 6 Cb 1.07 -0.23 -0.05 0.00 0.11 0.00 0.00 31.00 31.90 1xg3 h PRO 6 CO 0.52 0.66 0.62 0.78 -0.21 0.00 0.00 178.00 180.37 1xg3 h GLY 7 N 1.03 1.38 1.27 -0.55 0.00 -1.76 0.85 103.07 105.29 1xg3 h GLY 7 Ca 0.33 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1xg3 h GLY 7 CO -0.12 0.53 0.08 1.70 0.00 0.00 0.00 176.54 178.73 1xg3 h LYS 8 N 1.32 0.90 -0.05 4.80 3.64 -1.50 -1.27 116.57 124.41 1xg3 h LYS 8 Ca 0.35 -0.22 -0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1xg3 h LYS 8 Cb -0.11 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1xg3 h LYS 8 CO -0.07 0.84 -0.45 0.00 -2.27 0.00 0.00 179.45 177.51 1xg3 h ALA 9 N 1.23 1.17 -0.28 5.00 0.00 -0.36 -1.90 119.26 124.11 1xg3 h ALA 9 Ca 0.17 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1xg3 h ALA 9 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xg3 h ALA 9 CO 0.01 0.59 -0.19 0.35 0.00 0.00 0.00 179.25 180.00 1xg3 h PHE 10 N 0.09 0.74 -0.26 0.00 3.57 -0.17 -2.03 116.94 118.88 1xg3 h PHE 10 Ca 0.00 -0.20 -0.06 0.00 3.53 0.00 0.00 57.97 61.24 1xg3 h PHE 10 Cb 0.83 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1xg3 h PHE 10 CO 0.01 0.90 -0.09 0.00 -2.23 0.00 0.00 178.31 176.89 1xg3 h ARG 11 N 0.37 0.43 -0.28 1.11 3.08 -1.06 -2.49 114.38 115.54 1xg3 h ARG 11 Ca 0.06 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 1xg3 h ARG 11 Cb 0.74 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1xg3 h ARG 11 CO 0.05 0.53 -0.42 0.00 -1.07 0.00 0.00 179.97 179.06 1xg3 h ALA 12 N 1.51 0.73 -0.79 0.04 0.00 -1.22 -2.95 119.26 116.58 1xg3 h ALA 12 Ca 0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1xg3 h ALA 12 Cb 0.41 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1xg3 h ALA 12 CO 0.02 0.66 0.35 0.00 0.00 0.00 0.00 179.25 180.29 1xg3 h ALA 13 N 0.96 1.14 -0.79 0.00 0.00 -0.94 -2.43 119.26 117.21 1xg3 h ALA 13 Ca 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1xg3 h ALA 13 Cb 0.96 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1xg3 h ALA 13 CO 0.09 0.64 0.52 -0.07 0.00 0.00 0.00 179.25 180.42 1xg3 h LEU 14 N 1.13 0.83 -0.30 0.00 3.38 -1.30 -1.16 115.31 117.89 1xg3 h LEU 14 Ca 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1xg3 h LEU 14 Cb 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1xg3 h LEU 14 CO -0.03 0.57 0.00 0.71 0.09 0.00 0.00 178.44 179.78 1xg3 h THR 15 N 0.96 0.00 -0.01 0.22 1.35 -1.31 -3.25 112.91 110.88 1xg3 h THR 15 Ca 0.31 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1xg3 h THR 15 Cb 0.05 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1xg3 h THR 15 CO -0.09 0.00 -0.51 0.29 -0.25 0.00 0.00 175.52 174.95 1xg3 n LYS 16 N -2.43 1.48 -3.68 4.72 5.02 -0.51 -4.92 118.16 117.85 1xg3 n LYS 16 Ca 0.04 -0.60 -0.13 0.00 -2.02 0.00 0.00 58.31 55.60 1xg3 n LYS 16 Cb 0.38 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 33.93 1xg3 n LYS 16 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xg3 s GLU 17 N -2.25 0.16 -0.16 1.97 2.12 -0.74 -5.09 118.70 114.72 1xg3 s GLU 17 Ca 0.12 0.69 -0.05 0.00 0.36 0.00 0.00 54.97 56.10 1xg3 s GLU 17 Cb 0.14 -0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.53 1xg3 s GLU 17 CO 0.53 -0.25 0.08 1.21 -0.54 0.00 0.00 175.26 176.29 1xg3 s ASN 18 N 2.12 2.27 0.56 -1.70 3.84 -1.26 -2.06 114.94 118.70 1xg3 s ASN 18 Ca -0.02 -0.56 -0.15 0.00 0.21 0.00 0.00 52.86 52.34 1xg3 s ASN 18 Cb -0.12 -0.26 -0.06 0.00 -0.55 0.00 0.00 41.25 40.27 1xg3 s ASN 18 CO -0.09 -0.34 1.02 -2.16 -2.79 0.00 0.00 177.10 172.75 1xg3 s PRO 19 N 2.12 3.64 -0.21 0.43 0.04 -1.26 -4.89 135.00 134.88 1xg3 s PRO 19 Ca 0.02 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 1xg3 s PRO 19 Cb -0.16 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1xg3 s PRO 19 CO -0.08 -0.53 1.05 -1.17 0.04 0.00 0.00 177.00 176.30 1xg3 s LEU 20 N -4.41 4.12 0.02 -3.56 0.20 -0.11 -4.77 118.68 110.18 1xg3 s LEU 20 Ca 0.60 1.42 -0.30 0.00 0.69 0.00 0.00 54.13 56.54 1xg3 s LEU 20 Cb -0.12 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.06 1xg3 s LEU 20 CO 0.37 -0.64 0.97 -1.10 -0.29 0.00 0.00 176.35 175.65 1xg3 s GLN 21 N 3.05 4.58 -0.15 1.98 -0.21 -1.26 -0.81 119.66 126.84 1xg3 s GLN 21 Ca 0.45 1.41 -0.00 0.00 0.02 0.00 0.00 55.36 57.24 1xg3 s GLN 21 Cb -0.16 -3.44 0.03 0.00 1.00 0.00 0.00 33.01 30.44 1xg3 s GLN 21 CO 0.08 0.01 -0.09 0.42 -2.12 0.00 0.00 175.29 173.59 1xg3 s ILE 22 N 0.80 1.29 -0.08 1.08 1.01 0.50 -4.40 121.20 121.39 1xg3 s ILE 22 Ca 0.50 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1xg3 s ILE 22 Cb -0.21 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1xg3 s ILE 22 CO 0.28 0.29 0.04 0.68 0.00 0.00 0.00 174.94 176.23 1xg3 s VAL 23 N 1.58 4.61 0.29 2.92 -7.23 -1.24 -1.60 120.40 119.73 1xg3 s VAL 23 Ca 0.03 -0.17 -0.29 0.00 -1.81 0.00 0.00 61.98 59.74 1xg3 s VAL 23 Cb -0.14 -2.97 -0.10 0.00 0.56 0.00 0.00 36.38 33.73 1xg3 s VAL 23 CO -0.09 0.58 1.24 -0.83 -0.31 0.00 0.00 175.10 175.69 1xg3 s GLY 24 N -1.00 2.92 -0.24 2.32 0.00 -0.01 -1.19 107.32 110.11 1xg3 s GLY 24 Ca 0.15 1.11 0.01 0.00 0.00 0.00 0.00 44.72 45.99 1xg3 s GLY 24 CO 0.04 1.80 -0.08 -0.51 0.00 0.00 0.00 173.10 174.35 1xg3 s THR 25 N -0.90 1.76 0.38 0.90 -4.23 -0.32 -4.72 115.64 108.50 1xg3 s THR 25 Ca 0.49 -1.33 0.22 0.00 -1.18 0.00 0.00 61.69 59.89 1xg3 s THR 25 Cb -0.36 -1.94 0.23 0.00 1.34 0.00 0.00 72.50 71.76 1xg3 s THR 25 CO 0.46 -0.04 1.98 -0.29 -0.54 0.00 0.00 174.62 176.20 1xg3 h ILE 26 N 6.66 0.78 -3.36 2.99 6.09 -1.92 -3.44 117.51 125.31 1xg3 h ILE 26 Ca -0.20 -0.76 -0.15 0.00 -1.37 0.00 0.00 64.86 62.38 1xg3 h ILE 26 Cb 1.07 1.46 -0.03 0.00 0.47 0.00 0.00 36.82 39.78 1xg3 h ILE 26 CO 0.44 0.19 0.02 -0.46 -3.07 0.00 0.00 178.15 175.26 1xg3 n ASN 27 N -3.80 -1.48 -0.27 2.19 0.23 -1.26 -4.90 115.26 105.97 1xg3 n ASN 27 Ca -0.02 -2.51 -0.06 0.00 -0.53 0.00 0.00 54.58 51.47 1xg3 n ASN 27 Cb 0.29 2.60 0.06 0.00 -2.08 0.00 0.00 39.78 40.65 1xg3 n ASN 27 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xg3 h ALA 28 N 1.97 0.97 -0.43 -2.53 0.00 -1.89 -2.43 119.26 114.92 1xg3 h ALA 28 Ca -0.25 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1xg3 h ALA 28 Cb 1.03 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1xg3 h ALA 28 CO 0.33 0.56 0.17 -0.97 0.00 0.00 0.00 179.25 179.34 1xg3 h ASN 29 N 1.07 0.20 0.84 0.00 -0.73 -1.96 -1.94 115.58 113.05 1xg3 h ASN 29 Ca 0.25 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.43 1xg3 h ASN 29 Cb 0.16 0.02 -0.00 0.00 0.27 0.00 0.00 38.32 38.76 1xg3 h ASN 29 CO -0.03 0.15 -0.16 0.45 -0.37 0.00 0.00 177.43 177.47 1xg3 h HIS 30 N 0.35 0.00 -0.44 0.67 3.86 -1.89 -1.62 115.15 116.07 1xg3 h HIS 30 Ca 0.20 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.31 1xg3 h HIS 30 Cb 0.17 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1xg3 h HIS 30 CO -0.14 0.16 -0.09 0.00 0.86 0.00 0.00 177.93 178.72 1xg3 h ALA 31 N 1.84 0.61 -0.62 2.45 0.00 -0.88 0.11 119.26 122.77 1xg3 h ALA 31 Ca -0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1xg3 h ALA 31 Cb 0.62 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1xg3 h ALA 31 CO 0.02 0.48 0.07 -0.07 0.00 0.00 0.00 179.25 179.75 1xg3 h LEU 32 N 0.67 1.00 -0.64 0.00 3.38 -0.94 -0.50 115.31 118.28 1xg3 h LEU 32 Ca 0.11 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1xg3 h LEU 32 Cb 0.62 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1xg3 h LEU 32 CO 0.04 1.01 0.07 -0.07 0.09 0.00 0.00 178.44 179.58 1xg3 h LEU 33 N 0.97 1.05 -0.71 1.67 3.38 -1.00 -0.29 115.31 120.39 1xg3 h LEU 33 Ca 0.19 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1xg3 h LEU 33 Cb 0.46 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1xg3 h LEU 33 CO 0.02 1.07 0.11 0.00 0.09 0.00 0.00 178.44 179.72 1xg3 h ALA 34 N 1.03 0.93 -0.36 1.53 0.00 -0.52 -1.15 119.26 120.71 1xg3 h ALA 34 Ca 0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1xg3 h ALA 34 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xg3 h ALA 34 CO 0.02 0.66 -0.03 0.37 0.00 0.00 0.00 179.25 180.28 1xg3 h GLN 35 N 1.03 0.66 0.00 0.00 4.15 -0.83 -2.41 115.11 117.71 1xg3 h GLN 35 Ca 0.20 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1xg3 h GLN 35 Cb 0.44 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 1xg3 h GLN 35 CO 0.01 0.78 -0.15 0.00 -1.93 0.00 0.00 178.83 177.55 1xg3 h ARG 36 N 0.47 0.00 0.00 1.69 3.08 -0.87 -1.57 114.38 117.17 1xg3 h ARG 36 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1xg3 h ARG 36 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1xg3 h ARG 36 CO 0.02 0.15 0.00 0.00 -1.07 0.00 0.00 179.97 179.07 1xg3 n ALA 37 N -2.33 2.32 0.00 0.04 0.00 -0.45 -4.92 120.51 115.17 1xg3 n ALA 37 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xg3 n ALA 37 Cb 0.25 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 1.25 0.67 3.76 0.00 0.00 -0.59 -5.08 105.19 105.19 1xg3 n GLY 38 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 2.46 -2.02 1.61 2.02 -1.04 -4.94 117.35 113.44 1xg3 s TYR 39 Ca 0.00 1.45 0.20 0.00 -0.37 0.00 0.00 57.07 58.35 1xg3 s TYR 39 Cb 0.00 -3.63 0.04 0.00 -0.40 0.00 0.00 41.96 37.98 1xg3 s TYR 39 CO 0.00 -2.39 1.03 1.04 -1.57 0.00 0.00 175.55 173.66 1xg3 n GLN 40 N -0.99 1.56 -3.54 -0.62 1.13 -1.26 -4.67 117.38 108.99 1xg3 n GLN 40 Ca 0.10 -1.15 -0.17 0.00 -1.94 0.00 0.00 57.00 53.84 1xg3 n GLN 40 Cb 0.47 -1.39 -0.06 0.00 0.11 0.00 0.00 30.24 29.36 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 -2.08 -1.73 0.36 -1.58 0.00 -1.26 -4.36 121.76 111.10 1xg3 s ALA 41 Ca 0.18 1.38 0.03 0.00 0.00 0.00 0.00 51.96 53.56 1xg3 s ALA 41 Cb 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.08 1xg3 s ALA 41 CO 0.43 -0.36 0.09 0.96 0.00 0.00 0.00 175.76 176.87 1xg3 s ILE 42 N -0.98 0.92 0.02 0.00 -4.36 -0.83 -3.60 121.20 112.36 1xg3 s ILE 42 Ca -0.10 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.32 1xg3 s ILE 42 Cb -0.01 -2.60 -0.01 0.00 1.25 0.00 0.00 42.46 41.09 1xg3 s ILE 42 CO 0.09 0.00 -0.07 -0.47 0.24 0.00 0.00 174.94 174.72 1xg3 s TYR 43 N -3.29 0.63 -0.40 1.37 5.04 -0.33 -1.05 117.35 119.32 1xg3 s TYR 43 Ca 0.31 -0.27 -0.04 0.00 -2.44 0.00 0.00 57.07 54.63 1xg3 s TYR 43 Cb 0.06 -0.39 0.10 0.00 0.35 0.00 0.00 41.96 42.08 1xg3 s TYR 43 CO 0.15 -0.03 0.20 -1.17 -1.34 0.00 0.00 175.55 173.35 1xg3 s LEU 44 N -0.75 5.07 0.15 6.97 2.96 -0.53 -1.18 118.68 131.37 1xg3 s LEU 44 Ca -0.02 -1.80 -0.30 0.00 -0.22 0.00 0.00 54.13 51.78 1xg3 s LEU 44 Cb -0.06 -1.86 -0.07 0.00 0.50 0.00 0.00 46.19 44.70 1xg3 s LEU 44 CO 0.00 -0.51 1.21 -0.55 -1.32 0.00 0.00 176.35 175.18 1xg3 s SER 45 N 1.86 7.07 0.16 3.68 0.15 -1.26 -1.99 113.70 123.36 1xg3 s SER 45 Ca 0.05 2.19 -0.10 0.00 0.70 0.00 0.00 55.95 58.79 1xg3 s SER 45 Cb -0.23 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 1xg3 s SER 45 CO -0.02 -0.41 1.53 1.23 1.20 0.00 0.00 173.24 176.77 1xg3 h GLY 46 N 5.69 1.07 2.00 9.45 0.00 -1.97 -0.89 103.07 118.42 1xg3 h GLY 46 Ca -0.44 -0.98 -0.04 0.00 0.00 0.00 0.00 47.33 45.88 1xg3 h GLY 46 CO 0.77 0.89 -0.17 -1.33 0.00 0.00 0.00 176.54 176.70 1xg3 h GLY 47 N 0.85 0.00 1.25 4.60 0.00 -1.96 -1.59 103.07 106.23 1xg3 h GLY 47 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.14 1xg3 h GLY 47 CO 0.07 0.00 -1.17 -1.33 0.00 0.00 0.00 176.54 174.11 1xg3 h GLY 48 N 0.74 0.71 0.98 4.60 0.00 -1.79 0.72 103.07 109.04 1xg3 h GLY 48 Ca -0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 47.33 45.91 1xg3 h GLY 48 CO 0.02 1.23 0.25 -2.08 0.00 0.00 0.00 176.54 175.96 1xg3 h VAL 49 N 0.31 1.20 0.39 4.60 2.07 -0.87 0.34 116.25 124.29 1xg3 h VAL 49 Ca -0.16 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1xg3 h VAL 49 Cb 1.83 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1xg3 h VAL 49 CO 0.22 0.23 -0.19 0.00 0.02 0.00 0.00 177.57 177.86 1xg3 h ALA 50 N 1.09 -0.89 -0.16 1.67 0.00 -1.29 -0.06 119.26 119.61 1xg3 h ALA 50 Ca 0.18 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1xg3 h ALA 50 Cb 0.13 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xg3 h ALA 50 CO -0.02 -0.85 -0.34 0.00 0.00 0.00 0.00 179.25 178.03 1xg3 h ALA 51 N -1.64 1.13 0.00 0.00 0.00 0.33 0.42 119.26 119.50 1xg3 h ALA 51 Ca -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xg3 h ALA 51 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xg3 h ALA 51 CO 0.09 0.56 -0.43 0.41 0.00 0.00 0.00 179.25 179.88 1xg3 n GLY 52 N -0.29 -0.80 0.26 0.00 0.00 0.11 -2.83 105.19 101.64 1xg3 n GLY 52 Ca -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.74 0.67 0.00 1.61 0.02 -1.05 -3.32 113.55 110.74 1xg3 h SER 53 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1xg3 h SER 53 Cb 0.43 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1xg3 h SER 53 CO 0.00 0.87 -1.38 0.18 -1.14 0.00 0.00 176.83 175.36 1xg3 n LEU 54 N -4.13 0.24 -1.65 5.07 4.77 -0.08 -4.99 117.00 116.23 1xg3 n LEU 54 Ca 0.00 -0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 1xg3 n LEU 54 Cb 0.40 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1xg3 n LEU 54 CO 0.43 0.06 -0.14 0.61 -1.33 0.00 0.00 177.39 177.02 1xg3 n GLY 55 N 1.53 -0.18 3.40 -0.72 0.00 0.11 -4.95 105.19 104.39 1xg3 n GLY 55 Ca -0.01 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.03 2.53 0.57 0.99 1.43 0.67 -4.90 118.68 115.94 1xg3 s LEU 56 Ca 0.04 -1.11 -0.20 0.00 -1.03 0.00 0.00 54.13 51.83 1xg3 s LEU 56 Cb -0.02 -0.71 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 1xg3 s LEU 56 CO 0.04 -0.23 1.26 -2.84 0.23 0.00 0.00 176.35 174.81 1xg3 s PRO 57 N -3.67 3.04 -1.39 1.29 0.02 -1.26 -1.45 135.00 131.58 1xg3 s PRO 57 Ca 0.27 1.97 -0.14 0.00 0.02 0.00 0.00 61.00 63.11 1xg3 s PRO 57 Cb 0.01 -2.05 0.07 0.00 0.02 0.00 0.00 34.50 32.55 1xg3 s PRO 57 CO 0.10 -1.19 2.03 -3.47 -0.33 0.00 0.00 177.00 174.14 1xg3 n ASP 58 N -1.37 4.35 -2.58 2.53 2.03 -1.26 -4.57 116.55 115.67 1xg3 n ASP 58 Ca 0.12 -2.90 -0.08 0.00 0.52 0.00 0.00 54.79 52.46 1xg3 n ASP 58 Cb 0.48 -1.65 0.04 0.00 -0.72 0.00 0.00 41.12 39.27 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 6.33 2.62 -1.84 -2.67 4.77 -1.26 -3.91 117.00 121.05 1xg3 n LEU 59 Ca 0.49 -3.59 -0.15 0.00 -0.03 0.00 0.00 56.01 52.73 1xg3 n LEU 59 Cb 0.40 0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.71 1xg3 n LEU 59 CO 0.85 1.38 -0.16 0.61 -1.33 0.00 0.00 177.39 178.74 1xg3 n GLY 60 N -0.62 -0.25 0.10 -0.72 0.00 -1.25 -4.46 105.19 98.00 1xg3 n GLY 60 Ca 0.19 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -4.04 1.56 -1.58 -0.61 5.41 -1.26 -4.93 119.36 113.91 1xg3 n ILE 61 Ca -0.16 -0.76 -0.34 0.00 1.00 0.00 0.00 62.75 62.49 1xg3 n ILE 61 Cb 0.63 -1.05 0.07 0.00 -0.71 0.00 0.00 39.64 38.58 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 -6.15 4.58 0.35 4.38 1.04 -1.26 -5.04 113.70 111.60 1xg3 s SER 62 Ca -0.14 2.21 0.08 0.00 0.48 0.00 0.00 55.95 58.58 1xg3 s SER 62 Cb 0.07 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.58 1xg3 s SER 62 CO 0.78 -2.00 0.23 0.42 0.98 0.00 0.00 173.24 173.66 1xg3 s THR 63 N -2.11 3.12 0.27 2.02 -4.23 -1.26 -5.02 115.64 108.43 1xg3 s THR 63 Ca 0.71 -1.52 -0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1xg3 s THR 63 Cb -0.26 -3.06 0.26 0.00 1.34 0.00 0.00 72.50 70.79 1xg3 s THR 63 CO 0.43 -0.14 1.82 0.25 -0.54 0.00 0.00 174.62 176.44 1xg3 h LEU 64 N 1.36 0.83 -1.40 4.79 5.85 -1.96 -1.70 115.31 123.07 1xg3 h LEU 64 Ca -0.44 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 1xg3 h LEU 64 Cb 1.25 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1xg3 h LEU 64 CO 0.61 0.44 -0.29 0.44 -0.34 0.00 0.00 178.44 179.30 1xg3 h ASP 65 N 0.91 0.00 -0.46 1.25 5.19 -1.98 0.28 116.42 121.61 1xg3 h ASP 65 Ca 0.47 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.86 1xg3 h ASP 65 Cb 0.48 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1xg3 h ASP 65 CO -0.27 0.29 0.20 0.44 -3.12 0.00 0.00 179.24 176.78 1xg3 h ASP 66 N 0.00 0.62 -0.25 6.45 3.32 -1.71 -1.48 116.42 123.37 1xg3 h ASP 66 Ca -0.00 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1xg3 h ASP 66 Cb 0.59 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1xg3 h ASP 66 CO 0.04 0.60 -0.08 0.58 -1.72 0.00 0.00 179.24 178.65 1xg3 h VAL 67 N 0.60 1.29 -0.91 -1.35 2.07 -1.31 -3.00 116.25 113.64 1xg3 h VAL 67 Ca 0.15 -1.12 0.05 0.00 0.82 0.00 0.00 66.70 66.61 1xg3 h VAL 67 Cb 0.16 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1xg3 h VAL 67 CO -0.02 0.35 0.60 -0.07 0.02 0.00 0.00 177.57 178.45 1xg3 h LEU 68 N 0.22 0.95 -0.60 2.57 3.38 -0.82 0.19 115.31 121.20 1xg3 h LEU 68 Ca 0.06 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1xg3 h LEU 68 Cb 0.56 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1xg3 h LEU 68 CO 0.03 0.63 0.36 0.74 0.09 0.00 0.00 178.44 180.29 1xg3 h THR 69 N 1.09 1.06 -0.25 0.22 2.02 -1.18 -0.29 112.91 115.58 1xg3 h THR 69 Ca 0.38 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 67.18 1xg3 h THR 69 Cb 0.11 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1xg3 h THR 69 CO -0.13 0.13 -0.41 0.44 0.37 0.00 0.00 175.52 175.92 1xg3 h ASP 70 N 0.71 0.63 -0.25 4.18 5.19 -1.17 -1.94 116.42 123.76 1xg3 h ASP 70 Ca 0.25 -0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1xg3 h ASP 70 Cb 0.04 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1xg3 h ASP 70 CO -0.11 0.96 0.11 0.40 -3.12 0.00 0.00 179.24 177.48 1xg3 h ILE 71 N 0.48 1.16 -0.58 0.35 2.04 -0.37 -1.73 117.51 118.87 1xg3 h ILE 71 Ca 0.04 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1xg3 h ILE 71 Cb 0.92 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1xg3 h ILE 71 CO 0.08 0.17 0.28 0.03 0.00 0.00 0.00 178.15 178.71 1xg3 h ARG 72 N 0.26 0.83 -0.71 2.37 3.08 -0.99 -0.26 114.38 118.96 1xg3 h ARG 72 Ca 0.08 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1xg3 h ARG 72 Cb 0.16 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1xg3 h ARG 72 CO -0.01 0.67 0.45 0.00 -1.07 0.00 0.00 179.97 180.01 1xg3 h ARG 73 N 0.78 0.87 0.05 0.04 3.08 -1.18 -0.44 114.38 117.58 1xg3 h ARG 73 Ca 0.20 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1xg3 h ARG 73 Cb 0.11 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1xg3 h ARG 73 CO -0.03 0.58 -0.02 0.82 -1.07 0.00 0.00 179.97 180.25 1xg3 h ILE 74 N 0.90 1.29 0.00 2.04 2.04 -1.05 -3.32 117.51 119.41 1xg3 h ILE 74 Ca 0.28 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1xg3 h ILE 74 Cb -0.02 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1xg3 h ILE 74 CO -0.09 0.31 0.00 0.71 0.00 0.00 0.00 178.15 179.08 1xg3 h THR 75 N -0.65 0.00 -0.08 -0.27 1.35 -1.00 -0.04 112.91 112.23 1xg3 h THR 75 Ca -0.01 -0.46 -0.10 0.00 -0.55 0.00 0.00 66.41 65.30 1xg3 h THR 75 Cb 0.56 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1xg3 h THR 75 CO 0.01 0.00 -0.39 0.44 -0.25 0.00 0.00 175.52 175.33 1xg3 h ASP 76 N 0.00 0.17 0.00 5.36 3.32 -1.16 -3.35 116.42 120.76 1xg3 h ASP 76 Ca 0.00 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1xg3 h ASP 76 Cb 0.58 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1xg3 h ASP 76 CO 0.00 0.55 -1.31 0.55 -1.72 0.00 0.00 179.24 177.32 1xg3 n VAL 77 N -4.05 0.07 -4.18 -1.35 3.14 -1.09 -4.99 118.33 105.89 1xg3 n VAL 77 Ca -0.01 -0.16 -0.34 0.00 -2.96 0.00 0.00 64.34 60.86 1xg3 n VAL 77 Cb 0.45 0.13 -0.13 0.00 -1.06 0.00 0.00 33.84 33.24 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 4.11 0.29 -4.78 0.00 3.41 -1.26 -4.45 113.62 110.94 1xg3 n SER 79 Ca -0.17 -1.06 -0.36 0.00 -0.26 0.00 0.00 58.87 57.01 1xg3 n SER 79 Cb 0.52 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 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 -2.03 4.05 0.12 1.04 1.43 -1.26 -4.97 118.68 117.06 1xg3 s LEU 80 Ca 0.45 2.15 -0.31 0.00 -1.03 0.00 0.00 54.13 55.39 1xg3 s LEU 80 Cb 0.22 -4.25 -0.08 0.00 0.03 0.00 0.00 46.19 42.11 1xg3 s LEU 80 CO 0.37 -0.71 1.40 -2.16 0.23 0.00 0.00 176.35 175.48 1xg3 s PRO 81 N -2.66 4.31 -0.28 1.29 0.04 -1.26 -4.83 135.00 131.61 1xg3 s PRO 81 Ca 0.61 2.10 -0.07 0.00 0.04 0.00 0.00 61.00 63.68 1xg3 s PRO 81 Cb -0.24 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 1xg3 s PRO 81 CO 0.30 -0.45 0.08 -1.17 0.04 0.00 0.00 177.00 175.80 1xg3 s LEU 82 N 1.10 3.72 0.02 -3.56 2.96 -1.26 -1.97 118.68 119.69 1xg3 s LEU 82 Ca 0.65 -0.51 -0.24 0.00 -0.22 0.00 0.00 54.13 53.81 1xg3 s LEU 82 Cb -0.37 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 1xg3 s LEU 82 CO 0.30 -0.14 0.73 -0.22 -1.32 0.00 0.00 176.35 175.71 1xg3 s LEU 83 N 1.55 4.43 -0.04 -0.68 2.96 -0.21 -0.90 118.68 125.79 1xg3 s LEU 83 Ca 0.04 1.37 0.07 0.00 -0.22 0.00 0.00 54.13 55.39 1xg3 s LEU 83 Cb -0.16 -3.17 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 1xg3 s LEU 83 CO 0.03 0.01 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.14 1xg3 s VAL 84 N 0.05 2.19 -0.36 1.68 1.01 0.12 -1.45 120.40 123.64 1xg3 s VAL 84 Ca 0.37 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1xg3 s VAL 84 Cb -0.20 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1xg3 s VAL 84 CO 0.21 0.58 1.14 -0.62 0.00 0.00 0.00 175.10 176.41 1xg3 s ASP 85 N -0.42 6.79 -0.23 3.32 -1.08 -0.84 -1.20 116.67 123.01 1xg3 s ASP 85 Ca 0.04 0.91 0.14 0.00 -0.52 0.00 0.00 52.55 53.13 1xg3 s ASP 85 Cb -0.12 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.42 1xg3 s ASP 85 CO 0.01 -1.03 1.56 0.00 0.52 0.00 0.00 175.17 176.23 1xg3 n ALA 86 N 7.32 3.56 -0.12 3.66 0.00 -0.38 -4.59 120.51 129.96 1xg3 n ALA 86 Ca 0.13 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.24 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 -0.29 0.00 -1.36 0.00 8.00 -1.25 -0.37 116.55 121.29 1xg3 n ASP 87 Ca 0.27 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.86 1xg3 n ASP 87 Cb 1.05 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 42.47 1xg3 n ASP 87 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1xg3 n ILE 88 N 0.00 1.62 0.00 0.53 -5.35 -1.26 -1.07 119.36 113.83 1xg3 n ILE 88 Ca 0.00 -1.20 0.00 0.00 -0.27 0.00 0.00 62.75 61.28 1xg3 n ILE 88 Cb 0.00 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 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 0.99 0.51 3.39 3.28 0.00 0.50 -4.69 105.19 109.17 1xg3 n GLY 89 Ca 0.23 0.00 -0.17 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 -1.67 -2.26 0.00 1.61 3.72 -1.26 -3.83 117.46 113.77 1xg3 n PHE 90 Ca 0.00 0.91 0.00 0.00 -0.05 0.00 0.00 57.45 58.31 1xg3 n PHE 90 Cb 0.00 -4.80 0.00 0.00 -0.94 0.00 0.00 39.48 33.74 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 -1.17 2.73 0.61 1.37 0.00 -1.26 -4.81 105.19 102.66 1xg3 n GLY 91 Ca -0.23 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 2.05 -4.49 1.61 3.41 -1.26 -4.84 113.62 110.10 1xg3 n SER 92 Ca 0.00 -1.58 -0.23 0.00 -0.26 0.00 0.00 58.87 56.80 1xg3 n SER 92 Cb 0.00 0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.18 2.86 0.57 4.04 1.04 -1.26 -5.02 113.70 113.75 1xg3 s SER 93 Ca 0.28 -1.32 0.32 0.00 0.48 0.00 0.00 55.95 55.71 1xg3 s SER 93 Cb 0.20 -0.19 1.74 0.00 0.10 0.00 0.00 66.02 67.87 1xg3 s SER 93 CO 0.40 -0.49 2.17 0.00 0.98 0.00 0.00 173.24 176.30 1xg3 h ALA 94 N 2.07 1.24 -0.38 5.32 0.00 -1.93 -1.90 119.26 123.67 1xg3 h ALA 94 Ca -0.41 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1xg3 h ALA 94 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1xg3 h ALA 94 CO 0.72 0.07 -0.25 0.74 0.00 0.00 0.00 179.25 180.53 1xg3 h PHE 95 N 0.00 0.89 -0.20 0.00 0.04 -1.98 -1.13 116.94 114.56 1xg3 h PHE 95 Ca -0.00 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.50 1xg3 h PHE 95 Cb 0.21 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1xg3 h PHE 95 CO 0.00 0.95 -0.08 -0.91 -0.60 0.00 0.00 178.31 177.67 1xg3 h ASN 96 N 0.67 0.42 -0.40 2.17 2.35 -1.69 -1.37 115.58 117.73 1xg3 h ASN 96 Ca 0.09 -0.40 0.04 0.00 -0.55 0.00 0.00 56.30 55.48 1xg3 h ASN 96 Cb 0.77 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 1xg3 h ASN 96 CO 0.06 0.72 0.18 0.58 -1.65 0.00 0.00 177.43 177.32 1xg3 h VAL 97 N 0.11 0.94 -0.53 2.81 2.07 -1.38 -0.25 116.25 120.01 1xg3 h VAL 97 Ca 0.05 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1xg3 h VAL 97 Cb 0.56 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1xg3 h VAL 97 CO 0.03 0.07 0.31 0.00 0.02 0.00 0.00 177.57 177.99 1xg3 h ALA 98 N 1.23 0.68 -0.67 1.67 0.00 -1.11 -0.78 119.26 120.29 1xg3 h ALA 98 Ca 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xg3 h ALA 98 Cb 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xg3 h ALA 98 CO -0.15 0.18 0.34 -0.09 0.00 0.00 0.00 179.25 179.53 1xg3 h ARG 99 N 0.71 0.95 -0.19 0.00 2.43 -0.85 -0.74 114.38 116.69 1xg3 h ARG 99 Ca 0.19 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1xg3 h ARG 99 Cb 0.01 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 1xg3 h ARG 99 CO -0.03 0.74 -0.02 1.15 -1.51 0.00 0.00 179.97 180.29 1xg3 h THR 100 N 0.92 0.84 0.00 0.20 2.02 -0.63 0.96 112.91 117.23 1xg3 h THR 100 Ca 0.23 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.40 1xg3 h THR 100 Cb 0.09 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1xg3 h THR 100 CO -0.03 0.01 -0.00 0.58 0.37 0.00 0.00 175.52 176.44 1xg3 h VAL 101 N 0.03 1.02 -0.53 3.16 2.07 -0.71 -1.58 116.25 119.71 1xg3 h VAL 101 Ca 0.09 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 1xg3 h VAL 101 Cb 0.12 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1xg3 h VAL 101 CO -0.17 0.02 0.07 0.11 0.02 0.00 0.00 177.57 177.61 1xg3 h LYS 102 N -0.03 0.85 -0.46 1.57 1.57 -0.97 -1.86 116.57 117.24 1xg3 h LYS 102 Ca -0.00 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1xg3 h LYS 102 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1xg3 h LYS 102 CO 0.00 0.80 -0.05 0.77 -0.57 0.00 0.00 179.45 180.40 1xg3 h SER 103 N 0.80 0.84 -0.17 0.86 0.02 -0.66 -1.22 113.55 114.03 1xg3 h SER 103 Ca 0.17 -0.33 -0.15 0.00 -0.84 0.00 0.00 61.79 60.63 1xg3 h SER 103 Cb 0.38 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1xg3 h SER 103 CO 0.01 0.98 -0.42 0.24 -1.14 0.00 0.00 176.83 176.50 1xg3 h MET 104 N 0.69 0.71 0.10 3.45 2.86 -1.18 0.10 114.93 121.67 1xg3 h MET 104 Ca 0.12 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1xg3 h MET 104 Cb 0.58 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1xg3 h MET 104 CO 0.03 1.00 -0.05 0.82 1.06 0.00 0.00 176.91 179.77 1xg3 h ILE 105 N 0.58 0.92 -0.17 -1.22 2.04 -1.27 -1.58 117.51 116.80 1xg3 h ILE 105 Ca 0.04 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1xg3 h ILE 105 Cb 0.97 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1xg3 h ILE 105 CO 0.09 0.01 0.03 0.50 0.00 0.00 0.00 178.15 178.78 1xg3 h LYS 106 N -0.16 0.24 0.00 2.37 3.64 -0.99 -1.42 116.57 120.24 1xg3 h LYS 106 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1xg3 h LYS 106 Cb 0.13 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1xg3 h LYS 106 CO 0.02 0.24 0.00 0.00 -2.27 0.00 0.00 179.45 177.44 1xg3 h ALA 107 N 1.80 1.00 0.00 5.00 0.00 -0.39 -3.47 119.26 123.20 1xg3 h ALA 107 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xg3 h ALA 107 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 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 0.38 0.97 3.76 0.00 0.00 -0.54 -4.13 105.19 105.63 1xg3 n GLY 108 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 2.38 -0.12 4.61 0.00 -0.64 -4.75 121.76 121.24 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 -3.33 -0.24 0.00 0.00 0.00 0.00 23.12 19.55 1xg3 s ALA 109 CO 0.00 -1.44 0.44 0.00 0.00 0.00 0.00 175.76 174.76 1xg3 n ALA 110 N -2.63 2.07 -3.74 0.00 0.00 -0.08 -4.55 120.51 111.58 1xg3 n ALA 110 Ca 0.11 -0.82 0.02 0.00 0.00 0.00 0.00 53.44 52.74 1xg3 n ALA 110 Cb 0.52 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 -4.95 -0.30 0.12 0.00 0.00 -1.18 -1.83 107.32 99.18 1xg3 s GLY 111 Ca -0.07 0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.97 1xg3 s GLY 111 CO 0.85 1.86 0.27 0.48 0.00 0.00 0.00 173.10 176.56 1xg3 s LEU 112 N -3.25 1.05 0.01 0.66 0.05 -0.41 0.14 118.68 116.93 1xg3 s LEU 112 Ca 0.19 -0.63 0.07 0.00 0.05 0.00 0.00 54.13 53.81 1xg3 s LEU 112 Cb 0.03 1.28 -0.02 0.00 -2.05 0.00 0.00 46.19 45.42 1xg3 s LEU 112 CO -0.02 -0.81 -0.23 -1.38 -0.55 0.00 0.00 176.35 173.36 1xg3 s HIS 113 N -3.88 2.02 -0.03 3.48 -3.43 -0.34 -1.15 115.29 111.96 1xg3 s HIS 113 Ca 0.08 -0.38 0.06 0.00 -0.80 0.00 0.00 55.06 54.01 1xg3 s HIS 113 Cb 0.04 -1.26 -0.01 0.00 -1.43 0.00 0.00 32.58 29.91 1xg3 s HIS 113 CO -0.08 0.02 -0.21 0.96 -2.00 0.00 0.00 174.74 173.42 1xg3 s ILE 114 N -0.63 1.71 0.36 -5.38 -4.36 -0.71 -1.25 121.20 110.94 1xg3 s ILE 114 Ca 0.09 -0.90 0.08 0.00 -0.26 0.00 0.00 60.65 59.65 1xg3 s ILE 114 Cb -0.09 -1.43 -0.03 0.00 1.25 0.00 0.00 42.46 42.16 1xg3 s ILE 114 CO 0.00 0.48 0.29 -1.83 0.24 0.00 0.00 174.94 174.13 1xg3 s GLU 115 N -0.31 2.59 -0.23 0.37 -1.05 -0.23 -1.15 118.70 118.68 1xg3 s GLU 115 Ca 0.03 -1.43 0.08 0.00 -0.15 0.00 0.00 54.97 53.51 1xg3 s GLU 115 Cb -0.10 -2.38 0.60 0.00 -0.44 0.00 0.00 34.13 31.81 1xg3 s GLU 115 CO 0.01 -0.00 1.53 -0.40 0.95 0.00 0.00 175.26 177.35 1xg3 n ASP 116 N -1.39 4.34 -4.89 0.83 5.68 -1.07 -4.67 116.55 115.38 1xg3 n ASP 116 Ca -0.00 -2.87 -0.29 0.00 -0.50 0.00 0.00 54.79 51.12 1xg3 n ASP 116 Cb 0.61 -0.68 0.05 0.00 -1.14 0.00 0.00 41.12 39.96 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 -2.41 2.68 0.85 0.11 -0.21 -1.26 -0.22 119.66 119.20 1xg3 s GLN 117 Ca 0.43 0.33 -0.12 0.00 0.02 0.00 0.00 55.36 56.01 1xg3 s GLN 117 Cb 0.33 -2.04 0.10 0.00 1.00 0.00 0.00 33.01 32.41 1xg3 s GLN 117 CO 0.11 -1.11 1.15 0.08 -2.12 0.00 0.00 175.29 173.40 1xg3 s VAL 118 N -3.36 2.18 0.00 1.09 1.01 -0.67 -4.45 120.40 116.19 1xg3 s VAL 118 Ca 0.58 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1xg3 s VAL 118 Cb -0.11 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1xg3 s VAL 118 CO 0.50 -0.07 0.54 0.61 0.00 0.00 0.00 175.10 176.68 1xg3 n GLY 119 N -2.70 -1.76 3.48 4.51 0.00 -1.26 -2.80 105.19 104.67 1xg3 n GLY 119 Ca 0.07 0.33 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 1xg3 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xg3 n ALA 120 N -2.45 3.76 -0.93 4.61 0.00 -1.26 -4.79 120.51 119.44 1xg3 n ALA 120 Ca 0.00 -3.84 -0.29 0.00 0.00 0.00 0.00 53.44 49.31 1xg3 n ALA 120 Cb 0.00 -3.60 0.19 0.00 0.00 0.00 0.00 19.45 16.04 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 4.14 0.23 0.14 0.00 0.00 -1.12 -4.85 119.74 118.28 1xg3 s LYS 121 Ca 0.53 0.80 0.00 0.00 0.00 0.00 0.00 55.97 57.31 1xg3 s LYS 121 Cb 0.05 -1.69 -0.04 0.00 0.00 0.00 0.00 37.83 36.15 1xg3 s LYS 121 CO 0.06 -2.94 0.02 0.50 0.00 0.00 0.00 175.35 172.99 1xg3 s ARG 122 N -4.76 0.98 0.37 1.78 3.52 -1.26 -3.76 118.95 115.82 1xg3 s ARG 122 Ca 0.66 -1.46 -0.27 0.00 -0.13 0.00 0.00 55.73 54.53 1xg3 s ARG 122 Cb -0.21 -0.02 -0.12 0.00 -1.56 0.00 0.00 34.95 33.05 1xg3 s ARG 122 CO 0.60 -0.18 1.18 0.45 -0.81 0.00 0.00 175.30 176.54 1xg3 n SER 123 N -0.15 2.18 0.05 -2.12 2.88 -1.25 -4.82 113.62 110.39 1xg3 n SER 123 Ca -0.07 1.15 0.07 0.00 -1.33 0.00 0.00 58.87 58.69 1xg3 n SER 123 Cb 0.63 -1.43 0.33 0.00 -0.75 0.00 0.00 64.21 62.99 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 0.93 -0.96 1.36 0.46 0.00 -1.26 -2.09 105.19 103.63 1xg3 n GLY 124 Ca 0.07 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.77 1.37 -4.20 1.61 8.25 -1.26 -4.67 115.22 114.55 1xg3 n HIS 125 Ca 0.02 -0.70 -0.27 0.00 -0.26 0.00 0.00 57.72 56.51 1xg3 n HIS 125 Cb 0.14 -0.30 -0.08 0.00 1.12 0.00 0.00 29.99 30.87 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 -2.24 2.42 0.83 -0.41 1.81 -0.89 -4.69 118.95 115.78 1xg3 s ARG 126 Ca 0.46 -1.09 -0.12 0.00 -1.72 0.00 0.00 55.73 53.27 1xg3 s ARG 126 Cb 0.33 -2.37 0.09 0.00 -0.45 0.00 0.00 34.95 32.55 1xg3 s ARG 126 CO 0.17 0.46 1.15 -1.25 -0.68 0.00 0.00 175.30 175.15 1xg3 s PRO 127 N -2.91 1.82 -1.36 3.54 0.04 -1.26 -4.44 135.00 130.43 1xg3 s PRO 127 Ca 0.27 0.27 -0.09 0.00 0.04 0.00 0.00 61.00 61.50 1xg3 s PRO 127 Cb -0.09 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.54 1xg3 s PRO 127 CO 0.19 -1.72 1.16 0.09 0.04 0.00 0.00 177.00 176.76 1xg3 n ASN 128 N -3.44 -6.02 -4.86 6.66 3.02 -1.26 -5.01 115.26 104.36 1xg3 n ASN 128 Ca 0.07 -0.56 -0.33 0.00 -0.03 0.00 0.00 54.58 53.73 1xg3 n ASN 128 Cb 0.59 -4.97 -0.06 0.00 -0.61 0.00 0.00 39.78 34.73 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 -6.28 3.88 0.02 3.52 -2.85 -1.26 -5.08 119.74 111.69 1xg3 s LYS 129 Ca 0.55 0.38 0.06 0.00 -1.00 0.00 0.00 55.97 55.96 1xg3 s LYS 129 Cb -0.25 -2.73 -0.03 0.00 -2.06 0.00 0.00 37.83 32.76 1xg3 s LYS 129 CO 0.74 0.36 -0.16 0.00 0.10 0.00 0.00 175.35 176.39 1xg3 s ALA 130 N -1.71 2.67 0.17 0.59 0.00 -1.26 -4.88 121.76 117.33 1xg3 s ALA 130 Ca 0.44 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 51.37 1xg3 s ALA 130 Cb -0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1xg3 s ALA 130 CO 0.20 0.58 -0.19 0.96 0.00 0.00 0.00 175.76 177.31 1xg3 s ILE 131 N -0.89 1.85 0.81 0.00 -4.36 -1.26 -1.67 121.20 115.67 1xg3 s ILE 131 Ca 0.14 -1.92 -0.12 0.00 -0.26 0.00 0.00 60.65 58.50 1xg3 s ILE 131 Cb -0.11 -1.85 0.09 0.00 1.25 0.00 0.00 42.46 41.84 1xg3 s ILE 131 CO 0.05 -0.30 1.17 0.68 0.24 0.00 0.00 174.94 176.78 1xg3 s VAL 132 N -2.02 2.04 0.90 8.37 -7.23 0.70 -4.77 120.40 118.39 1xg3 s VAL 132 Ca 0.16 -0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.18 1xg3 s VAL 132 Cb -0.06 -3.00 0.13 0.00 0.56 0.00 0.00 36.38 34.02 1xg3 s VAL 132 CO 0.07 0.00 1.10 -0.94 -0.31 0.00 0.00 175.10 175.02 1xg3 s SER 133 N -4.60 3.28 0.25 4.85 1.04 -1.26 -4.79 113.70 112.47 1xg3 s SER 133 Ca 0.63 1.81 -0.06 0.00 0.48 0.00 0.00 55.95 58.81 1xg3 s SER 133 Cb -0.10 -2.41 0.27 0.00 0.10 0.00 0.00 66.02 63.88 1xg3 s SER 133 CO 0.49 -2.81 1.92 0.50 0.98 0.00 0.00 173.24 174.31 1xg3 h LYS 134 N -1.67 1.28 -0.48 4.02 3.64 -1.98 -1.42 116.57 119.96 1xg3 h LYS 134 Ca -0.47 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 58.76 1xg3 h LYS 134 Cb 1.27 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1xg3 h LYS 134 CO 0.49 0.87 0.10 0.93 -2.27 0.00 0.00 179.45 179.56 1xg3 h GLU 135 N 1.31 0.79 -0.34 1.90 3.07 -1.99 -0.49 114.58 118.83 1xg3 h GLU 135 Ca 0.35 -0.20 0.03 0.00 -0.50 0.00 0.00 59.36 59.04 1xg3 h GLU 135 Cb -0.11 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.67 1xg3 h GLU 135 CO -0.07 0.78 0.15 1.49 -1.40 0.00 0.00 179.01 179.96 1xg3 h GLU 136 N 0.67 0.30 -0.41 2.33 4.22 -1.76 -1.62 114.58 118.31 1xg3 h GLU 136 Ca 0.15 -0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.46 1xg3 h GLU 136 Cb 0.36 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1xg3 h GLU 136 CO 0.01 0.20 -0.19 1.98 -2.18 0.00 0.00 179.01 178.82 1xg3 h MET 137 N 0.31 0.79 -0.96 1.92 4.05 -1.11 -2.86 114.93 117.07 1xg3 h MET 137 Ca 0.15 -0.31 0.05 0.00 -0.28 0.00 0.00 59.70 59.31 1xg3 h MET 137 Cb 0.09 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.79 1xg3 h MET 137 CO -0.13 0.92 0.62 0.28 0.23 0.00 0.00 176.91 178.84 1xg3 h VAL 138 N 0.70 1.12 -0.63 -5.77 2.07 -0.51 -1.19 116.25 112.05 1xg3 h VAL 138 Ca 0.10 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1xg3 h VAL 138 Cb 0.70 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1xg3 h VAL 138 CO 0.05 0.21 0.10 0.44 0.02 0.00 0.00 177.57 178.39 1xg3 h ASP 139 N 1.17 0.98 -0.64 0.57 3.32 -1.13 -0.83 116.42 119.86 1xg3 h ASP 139 Ca 0.40 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1xg3 h ASP 139 Cb 0.08 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1xg3 h ASP 139 CO -0.15 0.98 0.37 0.03 -1.72 0.00 0.00 179.24 178.76 1xg3 h ARG 140 N 0.96 0.87 -0.26 3.56 3.08 -1.09 -0.84 114.38 120.67 1xg3 h ARG 140 Ca 0.19 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1xg3 h ARG 140 Cb 0.42 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1xg3 h ARG 140 CO 0.01 0.64 -0.02 0.82 -1.07 0.00 0.00 179.97 180.35 1xg3 h ILE 141 N 0.87 1.27 -0.81 2.04 2.04 -0.95 -1.59 117.51 120.36 1xg3 h ILE 141 Ca 0.23 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1xg3 h ILE 141 Cb -0.00 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1xg3 h ILE 141 CO -0.04 0.31 0.45 0.03 0.00 0.00 0.00 178.15 178.90 1xg3 h ARG 142 N 0.24 1.12 -0.51 2.37 3.08 -0.98 -0.13 114.38 119.58 1xg3 h ARG 142 Ca 0.07 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1xg3 h ARG 142 Cb 0.46 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1xg3 h ARG 142 CO 0.02 0.82 0.23 0.00 -1.07 0.00 0.00 179.97 179.97 1xg3 h ALA 143 N 1.24 0.65 -0.08 0.04 0.00 -1.07 -1.33 119.26 118.72 1xg3 h ALA 143 Ca 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xg3 h ALA 143 Cb 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xg3 h ALA 143 CO -0.05 0.24 0.03 0.00 0.00 0.00 0.00 179.25 179.47 1xg3 h ALA 144 N 1.07 0.10 -0.63 0.00 0.00 -0.85 -2.15 119.26 116.80 1xg3 h ALA 144 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xg3 h ALA 144 Cb 0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1xg3 h ALA 144 CO -0.02 -0.32 0.39 0.28 0.00 0.00 0.00 179.25 179.59 1xg3 h VAL 145 N -0.03 1.17 0.00 0.00 2.07 -0.95 -2.25 116.25 116.27 1xg3 h VAL 145 Ca 0.03 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1xg3 h VAL 145 Cb 0.16 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1xg3 h VAL 145 CO -0.00 0.18 -0.14 -0.78 0.02 0.00 0.00 177.57 176.84 1xg3 h ASP 146 N 0.85 0.00 0.82 0.57 3.58 -1.15 -2.61 116.42 118.49 1xg3 h ASP 146 Ca 0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1xg3 h ASP 146 Cb -0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1xg3 h ASP 146 CO -0.05 0.14 -0.10 0.00 -2.88 0.00 0.00 179.24 176.35 1xg3 n ALA 147 N -2.29 2.60 -1.68 -0.78 0.00 -0.82 -4.89 120.51 112.65 1xg3 n ALA 147 Ca -0.02 -0.16 -0.46 0.00 0.00 0.00 0.00 53.44 52.80 1xg3 n ALA 147 Cb 0.26 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.44 2.40 0.02 0.00 5.02 -0.99 -4.52 118.16 118.65 1xg3 n LYS 148 Ca 0.08 0.88 0.11 0.00 -2.02 0.00 0.00 58.31 57.36 1xg3 n LYS 148 Cb 0.33 -2.75 -0.03 0.00 -0.02 0.00 0.00 35.03 32.55 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 5.04 0.13 -4.00 -0.18 -2.24 -1.26 -4.70 114.28 107.07 1xg3 n THR 149 Ca 0.21 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.42 1xg3 n THR 149 Cb 0.33 0.28 -0.16 0.00 -2.10 0.00 0.00 70.33 68.68 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 -3.93 3.78 0.59 3.42 -1.08 -1.26 -5.01 116.67 113.17 1xg3 s ASP 150 Ca 0.02 -1.09 0.28 0.00 -0.52 0.00 0.00 52.55 51.24 1xg3 s ASP 150 Cb 0.14 -1.30 1.62 0.00 -1.46 0.00 0.00 42.92 41.92 1xg3 s ASP 150 CO 0.83 -0.18 2.07 1.55 0.52 0.00 0.00 175.17 179.96 1xg3 h PRO 151 N 7.92 0.00 -0.00 4.34 0.13 -2.01 -1.04 132.00 141.34 1xg3 h PRO 151 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1xg3 h PRO 151 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xg3 h PRO 151 CO 0.46 0.00 -0.21 -0.25 -0.23 0.00 0.00 178.00 177.77 1xg3 n ASP 152 N -3.83 0.45 -4.76 1.44 8.00 -1.26 -4.84 116.55 111.75 1xg3 n ASP 152 Ca 0.03 -0.31 -0.39 0.00 0.71 0.00 0.00 54.79 54.83 1xg3 n ASP 152 Cb 0.37 -0.05 0.02 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.72 2.50 -0.18 1.24 5.36 -0.40 -3.92 117.98 119.86 1xg3 s PHE 153 Ca 0.21 1.39 -0.07 0.00 -0.96 0.00 0.00 56.93 57.49 1xg3 s PHE 153 Cb 0.19 -3.73 -0.04 0.00 -0.34 0.00 0.00 43.02 39.10 1xg3 s PHE 153 CO 0.55 -2.54 0.06 0.08 -1.46 0.00 0.00 175.22 171.91 1xg3 s VAL 154 N -1.32 4.77 -0.35 3.12 1.01 -0.76 -4.98 120.40 121.89 1xg3 s VAL 154 Ca 0.66 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.51 1xg3 s VAL 154 Cb -0.39 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 32.87 1xg3 s VAL 154 CO 0.47 0.46 0.15 -0.63 0.00 0.00 0.00 175.10 175.55 1xg3 s ILE 155 N 0.36 4.15 -0.12 2.22 -1.09 -1.26 -1.29 121.20 124.17 1xg3 s ILE 155 Ca 0.03 -0.95 -0.03 0.00 -2.23 0.00 0.00 60.65 57.47 1xg3 s ILE 155 Cb -0.12 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.42 1xg3 s ILE 155 CO 0.00 -0.17 -0.01 -0.32 -1.23 0.00 0.00 174.94 173.22 1xg3 s MET 156 N 1.48 3.30 -0.16 2.79 -2.45 -0.30 -0.82 119.30 123.14 1xg3 s MET 156 Ca 0.00 -0.45 -0.07 0.00 -1.25 0.00 0.00 55.69 53.93 1xg3 s MET 156 Cb -0.19 -2.86 -0.04 0.00 1.25 0.00 0.00 34.83 32.99 1xg3 s MET 156 CO 0.04 0.50 0.08 0.00 1.05 0.00 0.00 175.02 176.69 1xg3 s ALA 157 N -0.33 3.51 -0.08 4.11 0.00 -0.60 -1.74 121.76 126.63 1xg3 s ALA 157 Ca 0.06 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xg3 s ALA 157 Cb -0.12 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 1xg3 s ALA 157 CO 0.02 0.32 -0.13 0.50 0.00 0.00 0.00 175.76 176.47 1xg3 s ARG 158 N -0.08 2.86 -0.11 0.00 3.52 -0.30 0.54 118.95 125.37 1xg3 s ARG 158 Ca 0.07 -0.68 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 1xg3 s ARG 158 Cb -0.12 -2.50 -0.00 0.00 -1.56 0.00 0.00 34.95 30.77 1xg3 s ARG 158 CO 0.01 0.48 -0.23 -0.08 -0.81 0.00 0.00 175.30 174.67 1xg3 s THR 159 N -0.34 2.17 -0.57 4.11 -1.32 -0.49 -2.61 115.64 116.58 1xg3 s THR 159 Ca 0.03 -0.98 0.16 0.00 -1.21 0.00 0.00 61.69 59.69 1xg3 s THR 159 Cb -0.13 -1.84 0.68 0.00 -1.51 0.00 0.00 72.50 69.71 1xg3 s THR 159 CO 0.02 0.56 1.60 0.47 -2.21 0.00 0.00 174.62 175.06 1xg3 n ASP 160 N 3.56 4.77 0.23 8.08 9.92 -1.26 -1.85 116.55 139.99 1xg3 n ASP 160 Ca -0.19 -2.72 0.11 0.00 -0.53 0.00 0.00 54.79 51.46 1xg3 n ASP 160 Cb 0.53 -0.58 0.46 0.00 -0.64 0.00 0.00 41.12 40.89 1xg3 n ASP 160 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xg3 h ALA 161 N 3.35 0.99 -0.30 2.24 0.00 -1.93 -3.36 119.26 120.26 1xg3 h ALA 161 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1xg3 h ALA 161 Cb 1.59 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 1xg3 h ALA 161 CO 0.30 0.21 -0.27 1.25 0.00 0.00 0.00 179.25 180.75 1xg3 h LEU 162 N 0.00 -0.88 -0.89 0.00 5.85 -1.82 0.41 115.31 117.99 1xg3 h LEU 162 Ca -0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1xg3 h LEU 162 Cb 0.75 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1xg3 h LEU 162 CO 0.02 -0.30 0.00 0.00 -0.34 0.00 0.00 178.44 177.83 1xg3 h ALA 163 N 0.79 1.00 0.00 1.25 0.00 -1.88 -1.40 119.26 119.03 1xg3 h ALA 163 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.67 1xg3 h ALA 163 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1xg3 h ALA 163 CO -0.44 0.00 -2.48 0.28 0.00 0.00 0.00 179.25 176.61 1xg3 n VAL 164 N -2.81 1.49 0.04 0.00 0.31 -0.68 -4.72 118.33 111.96 1xg3 n VAL 164 Ca 0.02 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1xg3 n VAL 164 Cb 0.34 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 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 -3.24 0.73 0.00 5.55 1.02 0.14 -5.11 120.64 119.71 1xg3 n GLU 165 Ca -0.46 -0.44 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 1xg3 n GLU 165 Cb 1.00 -0.92 0.00 0.00 -0.02 0.00 0.00 31.44 31.50 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 0.26 0.58 0.18 0.62 0.00 -0.53 -4.42 105.19 101.88 1xg3 n GLY 166 Ca 0.01 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 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 0.54 -0.65 0.99 7.12 -1.88 -2.53 115.31 118.90 1xg3 h LEU 167 Ca 0.00 -0.38 -0.01 0.00 0.13 0.00 0.00 57.88 57.62 1xg3 h LEU 167 Cb 0.00 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 39.95 1xg3 h LEU 167 CO 0.00 0.80 0.38 0.44 -0.13 0.00 0.00 178.44 179.93 1xg3 h ASP 168 N 0.28 0.79 -0.66 1.25 3.32 -1.97 -0.91 116.42 118.52 1xg3 h ASP 168 Ca 0.06 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1xg3 h ASP 168 Cb 0.58 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1xg3 h ASP 168 CO 0.03 0.63 0.26 0.00 -1.72 0.00 0.00 179.24 178.45 1xg3 h ALA 169 N 1.19 0.86 -0.64 3.45 0.00 -1.77 -1.19 119.26 121.16 1xg3 h ALA 169 Ca 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xg3 h ALA 169 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1xg3 h ALA 169 CO -0.04 0.48 0.22 0.00 0.00 0.00 0.00 179.25 179.91 1xg3 h ALA 170 N 1.11 1.18 -0.29 0.00 0.00 -1.05 -0.82 119.26 119.40 1xg3 h ALA 170 Ca 0.22 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1xg3 h ALA 170 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xg3 h ALA 170 CO -0.02 0.58 -0.20 0.82 0.00 0.00 0.00 179.25 180.43 1xg3 h ILE 171 N 0.93 1.30 -0.71 0.00 2.04 -0.79 -1.02 117.51 119.26 1xg3 h ILE 171 Ca 0.21 -1.34 0.01 0.00 1.00 0.00 0.00 64.86 64.74 1xg3 h ILE 171 Cb 0.24 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1xg3 h ILE 171 CO -0.01 0.43 0.47 -0.08 0.00 0.00 0.00 178.15 178.95 1xg3 h GLU 172 N 0.40 0.92 -0.05 2.37 4.81 -0.88 0.09 114.58 122.24 1xg3 h GLU 172 Ca 0.06 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xg3 h GLU 172 Cb 0.75 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1xg3 h GLU 172 CO 0.06 0.61 0.03 0.00 -0.73 0.00 0.00 179.01 178.97 1xg3 h ARG 173 N 0.95 0.06 -0.98 1.92 3.08 -1.06 -2.08 114.38 116.27 1xg3 h ARG 173 Ca 0.27 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.44 1xg3 h ARG 173 Cb -0.08 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 29.87 1xg3 h ARG 173 CO -0.07 0.12 0.61 0.00 -1.07 0.00 0.00 179.97 179.56 1xg3 h ALA 174 N 0.94 1.51 -0.32 0.04 0.00 -0.62 0.27 119.26 121.08 1xg3 h ALA 174 Ca 0.02 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1xg3 h ALA 174 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1xg3 h ALA 174 CO -0.00 0.14 -0.36 1.96 0.00 0.00 0.00 179.25 180.99 1xg3 h GLN 175 N 0.91 0.73 -0.34 0.00 4.20 -0.77 -1.79 115.11 118.06 1xg3 h GLN 175 Ca 0.51 -0.36 -0.14 0.00 0.06 0.00 0.00 58.65 58.71 1xg3 h GLN 175 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1xg3 h GLN 175 CO -0.30 0.98 -0.36 0.00 -0.67 0.00 0.00 178.83 178.49 1xg3 h ALA 176 N 0.98 0.74 -0.58 3.87 0.00 -0.42 -1.20 119.26 122.65 1xg3 h ALA 176 Ca 0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1xg3 h ALA 176 Cb 0.90 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1xg3 h ALA 176 CO 0.08 0.66 0.18 1.88 0.00 0.00 0.00 179.25 182.05 1xg3 h TYR 177 N 0.64 0.93 -0.50 0.00 0.05 -0.37 -0.37 116.97 117.36 1xg3 h TYR 177 Ca 0.06 -0.10 -0.11 0.00 0.05 0.00 0.00 58.73 58.64 1xg3 h TYR 177 Cb 0.90 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.35 1xg3 h TYR 177 CO 0.05 0.78 -0.12 0.28 -1.05 0.00 0.00 178.16 178.10 1xg3 h VAL 178 N 0.82 1.26 -0.24 -2.88 2.07 -1.21 -1.96 116.25 114.11 1xg3 h VAL 178 Ca 0.19 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1xg3 h VAL 178 Cb 0.29 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1xg3 h VAL 178 CO -0.01 0.43 -0.01 -0.08 0.02 0.00 0.00 177.57 177.92 1xg3 h GLU 179 N 0.82 0.36 0.00 1.57 4.81 -0.85 -1.10 114.58 120.20 1xg3 h GLU 179 Ca 0.13 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1xg3 h GLU 179 Cb 0.65 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1xg3 h GLU 179 CO 0.05 0.40 0.00 0.00 -0.73 0.00 0.00 179.01 178.72 1xg3 n ALA 180 N -2.49 2.30 0.00 2.92 0.00 -0.18 -4.87 120.51 118.19 1xg3 n ALA 180 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1xg3 n ALA 180 Cb 0.21 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 0.77 1.66 3.64 0.00 0.00 -0.42 -4.23 105.19 106.61 1xg3 n GLY 181 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.44 0.02 4.61 0.00 -0.80 -4.88 120.51 119.91 1xg3 n ALA 182 Ca 0.00 0.44 0.02 0.00 0.00 0.00 0.00 53.44 53.89 1xg3 n ALA 182 Cb 0.00 -2.19 -0.09 0.00 0.00 0.00 0.00 19.45 17.17 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 2.08 0.63 -3.97 0.00 1.02 0.00 -4.55 120.64 115.84 1xg3 n GLU 183 Ca 0.13 0.15 -0.08 0.00 -0.02 0.00 0.00 57.16 57.34 1xg3 n GLU 183 Cb 0.28 -1.76 -0.08 0.00 -0.02 0.00 0.00 31.44 29.86 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 -3.00 0.78 -0.02 3.49 -1.94 -1.23 -4.26 119.30 113.12 1xg3 s MET 184 Ca -0.04 -1.10 0.06 0.00 -1.71 0.00 0.00 55.69 52.90 1xg3 s MET 184 Cb 0.09 0.29 -0.02 0.00 2.01 0.00 0.00 34.83 37.20 1xg3 s MET 184 CO 0.82 -0.21 -0.20 -1.17 -0.01 0.00 0.00 175.02 174.24 1xg3 s LEU 185 N -2.90 2.04 -0.57 -0.03 2.96 -0.23 -1.55 118.68 118.40 1xg3 s LEU 185 Ca 0.08 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1xg3 s LEU 185 Cb 0.06 -1.05 0.14 0.00 0.50 0.00 0.00 46.19 45.85 1xg3 s LEU 185 CO -0.09 0.25 0.34 0.12 -1.32 0.00 0.00 176.35 175.64 1xg3 s PHE 186 N -0.46 3.14 -0.47 5.38 2.19 0.19 -0.82 117.98 127.12 1xg3 s PHE 186 Ca 0.07 -3.14 -0.29 0.00 0.33 0.00 0.00 56.93 53.91 1xg3 s PHE 186 Cb -0.08 -2.64 0.03 0.00 -1.31 0.00 0.00 43.02 39.02 1xg3 s PHE 186 CO -0.01 -0.68 1.14 -1.25 1.83 0.00 0.00 175.22 176.25 1xg3 s PRO 187 N -0.61 3.74 0.40 10.12 0.04 -1.26 -1.40 135.00 146.03 1xg3 s PRO 187 Ca 0.20 0.59 -0.23 0.00 0.04 0.00 0.00 61.00 61.60 1xg3 s PRO 187 Cb -0.18 -3.90 -0.10 0.00 0.04 0.00 0.00 34.50 30.36 1xg3 s PRO 187 CO -0.06 -1.36 0.99 -2.00 0.04 0.00 0.00 177.00 174.61 1xg3 s GLU 188 N 4.42 4.25 -1.26 4.56 2.56 -0.77 -4.35 118.70 128.11 1xg3 s GLU 188 Ca 0.48 1.32 -0.14 0.00 0.00 0.00 0.00 54.97 56.63 1xg3 s GLU 188 Cb -0.07 -2.44 0.00 0.00 2.00 0.00 0.00 34.13 33.62 1xg3 s GLU 188 CO 0.31 -0.03 0.61 0.00 -0.56 0.00 0.00 175.26 175.59 1xg3 n ALA 189 N -0.19 -2.33 -1.76 6.30 0.00 -1.26 -4.76 120.51 116.50 1xg3 n ALA 189 Ca 0.05 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.80 1xg3 n ALA 189 Cb 0.51 -2.81 -0.04 0.00 0.00 0.00 0.00 19.45 17.11 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 -3.69 3.63 -0.05 0.00 -1.09 -1.26 -4.82 121.20 113.91 1xg3 s ILE 190 Ca 0.28 1.52 0.19 0.00 -2.23 0.00 0.00 60.65 60.41 1xg3 s ILE 190 Cb -0.11 -3.92 -0.29 0.00 -1.58 0.00 0.00 42.46 36.56 1xg3 s ILE 190 CO 0.89 0.27 0.37 0.35 -1.23 0.00 0.00 174.94 175.59 1xg3 n THR 191 N 0.86 0.21 -4.50 2.92 -2.24 -1.26 -4.08 114.28 106.19 1xg3 n THR 191 Ca 0.01 -0.50 -0.20 0.00 -2.27 0.00 0.00 64.05 61.08 1xg3 n THR 191 Cb 0.46 -0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 68.51 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 -3.20 0.93 0.22 -0.78 2.02 -1.26 -4.65 118.70 111.97 1xg3 s GLU 192 Ca -0.07 -0.43 -0.08 0.00 0.02 0.00 0.00 54.97 54.40 1xg3 s GLU 192 Cb 0.11 -0.90 0.31 0.00 0.10 0.00 0.00 34.13 33.75 1xg3 s GLU 192 CO 0.80 0.25 1.76 1.25 0.02 0.00 0.00 175.26 179.33 1xg3 h LEU 193 N 5.79 0.34 -1.53 1.80 6.46 -1.99 -1.46 115.31 124.71 1xg3 h LEU 193 Ca -0.33 0.07 0.20 0.00 -0.12 0.00 0.00 57.88 57.70 1xg3 h LEU 193 Cb 1.17 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 41.06 1xg3 h LEU 193 CO 0.49 0.19 0.59 0.00 -0.62 0.00 0.00 178.44 179.09 1xg3 h ALA 194 N 1.43 2.21 -0.80 1.25 0.00 -1.98 -0.44 119.26 120.92 1xg3 h ALA 194 Ca 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1xg3 h ALA 194 Cb 0.38 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1xg3 h ALA 194 CO -0.29 -0.49 0.48 0.52 0.00 0.00 0.00 179.25 179.47 1xg3 h MET 195 N 0.39 1.09 -0.58 0.00 2.86 -1.69 -1.53 114.93 115.47 1xg3 h MET 195 Ca 0.46 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.98 1xg3 h MET 195 Cb 1.15 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1xg3 h MET 195 CO -0.17 0.77 0.29 1.88 1.06 0.00 0.00 176.91 180.74 1xg3 h TYR 196 N 1.11 0.83 -0.44 -0.22 0.05 -1.14 -0.90 116.97 116.26 1xg3 h TYR 196 Ca 0.29 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 59.05 1xg3 h TYR 196 Cb -0.04 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.41 1xg3 h TYR 196 CO 0.00 0.63 0.27 -0.09 -1.05 0.00 0.00 178.16 177.92 1xg3 h ARG 197 N 0.79 0.53 -0.63 4.88 9.65 -1.32 0.60 114.38 128.88 1xg3 h ARG 197 Ca 0.20 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 1xg3 h ARG 197 Cb 0.10 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 1xg3 h ARG 197 CO -0.03 0.35 0.38 1.96 2.80 0.00 0.00 179.97 185.44 1xg3 h GLN 198 N 0.54 0.85 -0.16 0.20 4.20 -0.92 -0.53 115.11 119.30 1xg3 h GLN 198 Ca 0.17 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1xg3 h GLN 198 Cb -0.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1xg3 h GLN 198 CO -0.07 0.60 0.08 0.74 -0.67 0.00 0.00 178.83 179.51 1xg3 h PHE 199 N 0.85 0.22 -0.53 2.96 0.04 -0.73 -1.19 116.94 118.57 1xg3 h PHE 199 Ca 0.23 -0.01 0.04 0.00 2.80 0.00 0.00 57.97 61.03 1xg3 h PHE 199 Cb -0.03 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 1xg3 h PHE 199 CO -0.02 0.26 0.28 0.00 -0.60 0.00 0.00 178.31 178.22 1xg3 h ALA 200 N 0.95 0.68 -0.41 2.45 0.00 -0.58 -1.80 119.26 120.54 1xg3 h ALA 200 Ca 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1xg3 h ALA 200 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xg3 h ALA 200 CO -0.01 -0.06 -0.11 -0.44 0.00 0.00 0.00 179.25 178.63 1xg3 h ASP 201 N 0.53 0.72 1.16 0.00 3.32 -0.99 -2.13 116.42 119.04 1xg3 h ASP 201 Ca 0.23 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1xg3 h ASP 201 Cb 0.13 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1xg3 h ASP 201 CO -0.16 0.86 -0.48 0.00 -1.72 0.00 0.00 179.24 177.75 1xg3 h ALA 202 N 1.21 0.80 0.00 3.45 0.00 -0.64 -3.36 119.26 120.71 1xg3 h ALA 202 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xg3 h ALA 202 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xg3 h ALA 202 CO 0.04 0.59 -1.21 1.33 0.00 0.00 0.00 179.25 180.00 1xg3 n VAL 203 N -3.37 0.00 -3.86 0.00 0.24 -0.73 -4.86 118.33 105.74 1xg3 n VAL 203 Ca 0.01 -0.18 -0.30 0.00 -2.04 0.00 0.00 64.34 61.83 1xg3 n VAL 203 Cb 0.64 0.41 0.01 0.00 -1.47 0.00 0.00 33.84 33.44 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 -1.68 -4.75 -4.17 7.34 6.02 -0.80 -4.98 117.38 114.36 1xg3 n GLN 204 Ca -0.01 0.55 -0.11 0.00 -0.01 0.00 0.00 57.00 57.41 1xg3 n GLN 204 Cb 0.17 -5.39 -0.10 0.00 1.02 0.00 0.00 30.24 25.94 1xg3 n GLN 204 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1xg3 s VAL 205 N -3.23 0.75 0.12 5.09 -7.23 -1.26 -5.11 120.40 109.53 1xg3 s VAL 205 Ca 0.64 -1.87 -0.35 0.00 -1.81 0.00 0.00 61.98 58.58 1xg3 s VAL 205 Cb -0.33 -1.61 -0.16 0.00 0.56 0.00 0.00 36.38 34.85 1xg3 s VAL 205 CO 0.78 -0.81 1.40 -2.65 -0.31 0.00 0.00 175.10 173.52 1xg3 n PRO 206 N 0.08 1.49 -4.25 4.82 -0.02 -1.26 -4.70 135.00 131.15 1xg3 n PRO 206 Ca -0.13 0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 61.53 1xg3 n PRO 206 Cb 0.60 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.79 1xg3 n PRO 206 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xg3 s ILE 207 N 0.54 4.57 -0.12 4.25 -1.09 -1.26 -1.06 121.20 127.02 1xg3 s ILE 207 Ca 0.81 -0.15 -0.02 0.00 -2.23 0.00 0.00 60.65 59.07 1xg3 s ILE 207 Cb -0.85 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 1xg3 s ILE 207 CO 0.45 0.59 -0.06 -0.22 -1.23 0.00 0.00 174.94 174.47 1xg3 s LEU 208 N -0.75 3.16 -0.20 2.97 0.20 -0.00 -0.94 118.68 123.11 1xg3 s LEU 208 Ca 0.12 -0.11 -0.05 0.00 0.69 0.00 0.00 54.13 54.78 1xg3 s LEU 208 Cb -0.12 -1.73 -0.02 0.00 -0.43 0.00 0.00 46.19 43.89 1xg3 s LEU 208 CO 0.02 0.24 -0.01 0.00 -0.29 0.00 0.00 176.35 176.31 1xg3 s ALA 209 N -0.07 2.98 -0.79 5.97 0.00 -0.01 -4.08 121.76 125.76 1xg3 s ALA 209 Ca 0.01 -1.01 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 1xg3 s ALA 209 Cb -0.13 -1.74 0.10 0.00 0.00 0.00 0.00 23.12 21.35 1xg3 s ALA 209 CO 0.03 -0.16 1.05 1.21 0.00 0.00 0.00 175.76 177.88 1xg3 s ASN 210 N 1.02 6.38 -1.29 0.00 2.47 -1.26 -0.72 114.94 121.54 1xg3 s ASN 210 Ca 0.01 -1.47 -0.06 0.00 0.42 0.00 0.00 52.86 51.77 1xg3 s ASN 210 Cb -0.14 -2.41 0.15 0.00 -1.45 0.00 0.00 41.25 37.39 1xg3 s ASN 210 CO 0.01 -1.28 2.24 -0.38 -3.72 0.00 0.00 177.10 173.98 1xg3 n ILE 211 N 5.78 5.20 -3.00 -5.21 2.08 0.82 -4.84 119.36 120.19 1xg3 n ILE 211 Ca 0.09 -4.52 -0.31 0.00 0.56 0.00 0.00 62.75 58.57 1xg3 n ILE 211 Cb 0.47 -2.07 -0.04 0.00 -0.75 0.00 0.00 39.64 37.25 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 -1.25 4.76 0.59 1.39 -1.32 -1.26 -4.61 115.64 113.93 1xg3 s THR 212 Ca 0.50 0.72 -0.12 0.00 -1.21 0.00 0.00 61.69 61.58 1xg3 s THR 212 Cb 0.17 -3.68 -0.05 0.00 -1.51 0.00 0.00 72.50 67.43 1xg3 s THR 212 CO -0.08 -0.37 1.01 -1.61 -2.21 0.00 0.00 174.62 171.36 1xg3 s GLU 213 N -3.46 3.68 -1.55 7.08 8.01 -1.26 -4.32 118.70 126.88 1xg3 s GLU 213 Ca 0.52 0.78 -0.14 0.00 0.01 0.00 0.00 54.97 56.14 1xg3 s GLU 213 Cb -0.10 -2.11 0.09 0.00 -4.31 0.00 0.00 34.13 27.71 1xg3 s GLU 213 CO 0.25 -0.48 0.96 1.19 0.01 0.00 0.00 175.26 177.19 1xg3 n PHE 214 N -2.44 -2.25 -1.76 1.61 3.72 -1.26 -4.95 117.46 110.13 1xg3 n PHE 214 Ca 0.06 0.89 0.00 0.00 -0.05 0.00 0.00 57.45 58.35 1xg3 n PHE 214 Cb 0.54 -3.86 0.00 0.00 -0.94 0.00 0.00 39.48 35.22 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 -1.65 5.22 0.16 1.37 0.00 -1.26 -5.05 105.19 103.98 1xg3 n GLY 215 Ca 0.05 -1.53 0.12 0.00 0.00 0.00 0.00 46.02 44.66 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 3.43 -2.80 4.61 0.00 -1.26 -4.91 120.51 116.57 1xg3 n ALA 216 Ca 0.00 -0.42 -0.35 0.00 0.00 0.00 0.00 53.44 52.67 1xg3 n ALA 216 Cb 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.72 4.94 0.82 0.00 2.01 -1.26 -4.50 115.64 114.93 1xg3 s THR 217 Ca 0.18 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 1xg3 s THR 217 Cb 0.18 -3.20 0.09 0.00 0.01 0.00 0.00 72.50 69.58 1xg3 s THR 217 CO 0.62 0.50 1.14 -2.84 -0.69 0.00 0.00 174.62 173.35 1xg3 s PRO 218 N -0.01 1.69 -1.39 4.92 0.02 -1.26 -4.87 135.00 134.10 1xg3 s PRO 218 Ca 0.07 1.48 -0.15 0.00 0.02 0.00 0.00 61.00 62.42 1xg3 s PRO 218 Cb -0.12 -1.81 0.06 0.00 0.02 0.00 0.00 34.50 32.65 1xg3 s PRO 218 CO 0.01 -2.12 2.01 1.28 -0.33 0.00 0.00 177.00 177.85 1xg3 n LEU 219 N -3.63 6.10 -4.77 -5.54 4.77 -1.26 -4.94 117.00 107.73 1xg3 n LEU 219 Ca 0.11 -4.08 -0.39 0.00 -0.03 0.00 0.00 56.01 51.62 1xg3 n LEU 219 Cb 0.52 -1.69 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 1xg3 n LEU 219 CO 0.50 0.75 0.96 -0.36 -1.33 0.00 0.00 177.39 177.90 1xg3 s PHE 220 N 3.44 2.72 0.65 -1.77 0.08 -1.26 -5.02 117.98 116.82 1xg3 s PHE 220 Ca 0.49 1.41 -0.06 0.00 0.12 0.00 0.00 56.93 58.89 1xg3 s PHE 220 Cb 0.10 -3.67 0.03 0.00 -0.57 0.00 0.00 43.02 38.91 1xg3 s PHE 220 CO -0.02 -2.19 0.96 0.95 -0.10 0.00 0.00 175.22 174.82 1xg3 s THR 221 N -1.30 2.96 0.38 0.64 -4.23 -1.26 -4.90 115.64 107.92 1xg3 s THR 221 Ca 0.60 -0.13 0.14 0.00 -1.18 0.00 0.00 61.69 61.13 1xg3 s THR 221 Cb -0.37 -3.22 0.13 0.00 1.34 0.00 0.00 72.50 70.37 1xg3 s THR 221 CO 0.47 -0.24 1.87 0.71 -0.54 0.00 0.00 174.62 176.90 1xg3 h THR 222 N -0.39 1.17 -0.32 3.99 1.35 -1.99 -1.23 112.91 115.49 1xg3 h THR 222 Ca -0.45 -1.10 -0.02 0.00 -0.55 0.00 0.00 66.41 64.29 1xg3 h THR 222 Cb 1.29 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.29 1xg3 h THR 222 CO 0.60 0.31 0.11 0.44 -0.25 0.00 0.00 175.52 176.73 1xg3 h ASP 223 N 0.00 0.47 -0.37 5.36 3.32 -1.97 0.11 116.42 123.33 1xg3 h ASP 223 Ca -0.00 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 1xg3 h ASP 223 Cb 0.58 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1xg3 h ASP 223 CO 0.04 0.54 0.03 -0.33 -1.72 0.00 0.00 179.24 177.80 1xg3 h GLU 224 N 0.37 0.64 -0.75 3.56 5.08 -1.84 -2.33 114.58 119.31 1xg3 h GLU 224 Ca 0.10 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1xg3 h GLU 224 Cb 0.24 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1xg3 h GLU 224 CO -0.00 0.73 0.40 -0.07 -1.00 0.00 0.00 179.01 179.06 1xg3 h LEU 225 N 0.47 0.95 -1.31 1.33 3.38 -1.11 -2.13 115.31 116.89 1xg3 h LEU 225 Ca 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xg3 h LEU 225 Cb 0.42 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1xg3 h LEU 225 CO 0.01 0.78 0.36 -0.09 0.09 0.00 0.00 178.44 179.59 1xg3 h ARG 226 N 1.04 0.83 0.00 1.13 2.43 -0.79 -0.94 114.38 118.08 1xg3 h ARG 226 Ca 0.26 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1xg3 h ARG 226 Cb 0.05 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1xg3 h ARG 226 CO -0.04 0.59 -0.22 0.66 -1.51 0.00 0.00 179.97 179.45 1xg3 h SER 227 N 0.84 0.00 -0.32 -3.80 4.64 -0.84 -1.83 113.55 112.24 1xg3 h SER 227 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1xg3 h SER 227 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1xg3 h SER 227 CO -0.04 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.14 1xg3 n ALA 228 N -2.30 2.46 -2.74 5.18 0.00 -0.45 -4.93 120.51 117.74 1xg3 n ALA 228 Ca -0.01 -0.73 -0.15 0.00 0.00 0.00 0.00 53.44 52.55 1xg3 n ALA 228 Cb 0.35 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.82 1xg3 n ALA 228 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1xg3 n HIS 229 N 0.78 -1.29 -2.72 0.00 -0.00 -0.69 -3.44 115.22 107.86 1xg3 n HIS 229 Ca 0.17 0.33 -0.42 0.00 0.46 0.00 0.00 57.72 58.26 1xg3 n HIS 229 Cb 0.42 -3.35 -0.03 0.00 -0.12 0.00 0.00 29.99 26.90 1xg3 n HIS 229 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1xg3 s VAL 230 N -2.95 4.87 0.11 3.57 1.01 -0.62 -4.69 120.40 121.70 1xg3 s VAL 230 Ca 0.19 2.05 0.04 0.00 0.00 0.00 0.00 61.98 64.26 1xg3 s VAL 230 Cb -0.09 -4.31 -0.23 0.00 0.00 0.00 0.00 36.38 31.75 1xg3 s VAL 230 CO 0.24 0.16 1.25 0.00 0.00 0.00 0.00 175.10 176.75 1xg3 h ALA 231 N 6.80 0.29 -2.87 5.51 0.00 -1.37 -3.38 119.26 124.24 1xg3 h ALA 231 Ca -0.41 -0.90 -0.15 0.00 0.00 0.00 0.00 54.91 53.45 1xg3 h ALA 231 Cb 1.22 -0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.66 1xg3 h ALA 231 CO 0.75 1.18 -0.41 0.00 0.00 0.00 0.00 179.25 180.77 1xg3 s MET 232 N -2.70 0.44 -0.23 0.00 0.23 -0.69 -0.94 119.30 115.41 1xg3 s MET 232 Ca -0.00 -0.01 -0.03 0.00 -1.03 0.00 0.00 55.69 54.61 1xg3 s MET 232 Cb 0.09 0.20 0.00 0.00 -1.53 0.00 0.00 34.83 33.59 1xg3 s MET 232 CO 0.84 -0.10 -0.05 0.00 -2.03 0.00 0.00 175.02 173.68 1xg3 s ALA 233 N -0.68 2.77 -0.15 3.16 0.00 0.01 -0.83 121.76 126.04 1xg3 s ALA 233 Ca -0.08 -1.26 -0.06 0.00 0.00 0.00 0.00 51.96 50.55 1xg3 s ALA 233 Cb -0.04 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1xg3 s ALA 233 CO 0.02 -0.56 0.08 -1.17 0.00 0.00 0.00 175.76 174.13 1xg3 s LEU 234 N 1.43 3.96 -0.59 0.00 2.96 0.10 -0.37 118.68 126.17 1xg3 s LEU 234 Ca 0.04 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.21 1xg3 s LEU 234 Cb -0.15 -1.97 0.17 0.00 0.50 0.00 0.00 46.19 44.73 1xg3 s LEU 234 CO -0.04 0.28 0.43 -0.31 -1.32 0.00 0.00 176.35 175.39 1xg3 s TYR 235 N -0.26 2.66 0.24 5.38 2.02 -0.63 -0.13 117.35 126.63 1xg3 s TYR 235 Ca 0.09 -2.96 -0.06 0.00 -0.37 0.00 0.00 57.07 53.77 1xg3 s TYR 235 Cb -0.12 -2.06 0.30 0.00 -0.40 0.00 0.00 41.96 39.69 1xg3 s TYR 235 CO 0.01 -0.65 1.88 -1.00 -1.57 0.00 0.00 175.55 174.22 1xg3 h PRO 236 N 5.52 1.05 0.00 -1.71 0.13 -1.85 -0.00 132.00 135.14 1xg3 h PRO 236 Ca 0.18 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1xg3 h PRO 236 Cb 0.81 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1xg3 h PRO 236 CO 0.59 0.70 0.00 1.28 -0.23 0.00 0.00 178.00 180.34 1xg3 n LEU 237 N -4.55 0.81 -0.28 1.56 4.77 -1.26 -4.06 117.00 113.99 1xg3 n LEU 237 Ca 0.12 -0.81 -0.03 0.00 -0.03 0.00 0.00 56.01 55.27 1xg3 n LEU 237 Cb 0.12 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1xg3 n LEU 237 CO 0.33 0.20 0.62 0.28 -1.33 0.00 0.00 177.39 177.50 1xg3 h SER 238 N 0.00 -1.21 -0.50 -1.43 0.02 -1.91 -0.42 113.55 108.10 1xg3 h SER 238 Ca 0.00 0.26 -0.10 0.00 -0.84 0.00 0.00 61.79 61.11 1xg3 h SER 238 Cb 0.55 0.64 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 1xg3 h SER 238 CO 0.00 -0.29 -0.09 0.00 -1.14 0.00 0.00 176.83 175.31 1xg3 h ALA 239 N 1.25 0.68 -0.69 3.77 0.00 -1.87 -2.97 119.26 119.43 1xg3 h ALA 239 Ca 0.30 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1xg3 h ALA 239 Cb 0.58 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1xg3 h ALA 239 CO -0.82 0.57 0.36 0.35 0.00 0.00 0.00 179.25 179.71 1xg3 h PHE 240 N 0.79 0.66 -0.55 0.00 3.57 -1.61 0.56 116.94 120.37 1xg3 h PHE 240 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1xg3 h PHE 240 Cb 0.64 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1xg3 h PHE 240 CO 0.05 0.29 0.31 0.00 -2.23 0.00 0.00 178.31 176.72 1xg3 h ARG 241 N 0.65 0.77 -0.11 1.11 3.08 -0.97 -0.98 114.38 117.92 1xg3 h ARG 241 Ca 0.32 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.16 1xg3 h ARG 241 Cb 0.26 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1xg3 h ARG 241 CO -0.22 0.58 -0.49 0.00 -1.07 0.00 0.00 179.97 178.77 1xg3 h ALA 242 N 1.14 0.95 -0.42 0.04 0.00 -1.32 -2.80 119.26 116.85 1xg3 h ALA 242 Ca 0.20 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1xg3 h ALA 242 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xg3 h ALA 242 CO -0.03 0.66 -0.20 0.00 0.00 0.00 0.00 179.25 179.68 1xg3 h MET 243 N 0.24 0.83 -0.49 0.00 -0.00 -0.37 -2.18 114.93 112.97 1xg3 h MET 243 Ca 0.01 -0.33 -0.09 0.00 -0.00 0.00 0.00 59.70 59.29 1xg3 h MET 243 Cb 0.96 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 32.50 1xg3 h MET 243 CO 0.08 0.96 -0.06 -0.91 -0.00 0.00 0.00 176.91 176.98 1xg3 h ASN 244 N 0.73 0.90 -0.28 -0.10 2.35 -1.11 -1.19 115.58 116.88 1xg3 h ASN 244 Ca 0.10 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1xg3 h ASN 244 Cb 0.72 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1xg3 h ASN 244 CO 0.06 1.02 0.13 -0.09 -1.65 0.00 0.00 177.43 176.90 1xg3 h ARG 245 N 0.75 0.40 -0.86 0.81 9.65 -1.37 -0.03 114.38 123.73 1xg3 h ARG 245 Ca 0.13 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1xg3 h ARG 245 Cb 0.60 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.07 1xg3 h ARG 245 CO 0.04 0.40 0.51 0.00 2.80 0.00 0.00 179.97 183.72 1xg3 h ALA 246 N 0.98 1.09 -0.40 2.80 0.00 -1.28 -0.67 119.26 121.78 1xg3 h ALA 246 Ca 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1xg3 h ALA 246 Cb 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xg3 h ALA 246 CO -0.01 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.79 1xg3 h ALA 247 N 1.28 0.54 -0.96 0.00 0.00 -1.04 -2.03 119.26 117.05 1xg3 h ALA 247 Ca 0.31 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1xg3 h ALA 247 Cb -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1xg3 h ALA 247 CO -0.06 0.33 0.63 1.49 0.00 0.00 0.00 179.25 181.64 1xg3 h GLU 248 N 0.54 1.22 -0.38 0.00 4.81 -0.64 -1.14 114.58 119.00 1xg3 h GLU 248 Ca 0.11 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1xg3 h GLU 248 Cb 0.49 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1xg3 h GLU 248 CO 0.02 0.81 0.13 1.25 -0.73 0.00 0.00 179.01 180.50 1xg3 h HIS 249 N 1.26 0.59 -0.48 0.92 2.76 -0.90 -1.39 115.15 117.90 1xg3 h HIS 249 Ca 0.37 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 1xg3 h HIS 249 Cb -0.07 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 1xg3 h HIS 249 CO -0.01 0.55 0.30 0.28 -1.30 0.00 0.00 177.93 177.75 1xg3 h VAL 250 N 0.46 1.14 -0.29 5.26 2.07 -0.91 -1.62 116.25 122.37 1xg3 h VAL 250 Ca 0.12 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1xg3 h VAL 250 Cb 0.22 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1xg3 h VAL 250 CO -0.01 0.14 0.19 1.88 0.02 0.00 0.00 177.57 179.79 1xg3 h TYR 251 N 0.65 0.36 -0.35 1.57 0.05 -0.95 -1.45 116.97 116.84 1xg3 h TYR 251 Ca 0.17 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 1xg3 h TYR 251 Cb -0.04 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 1xg3 h TYR 251 CO -0.03 0.22 0.15 -0.91 -1.05 0.00 0.00 178.16 176.54 1xg3 h ASN 252 N 0.39 0.48 -0.42 3.88 2.35 -1.07 -2.03 115.58 119.15 1xg3 h ASN 252 Ca 0.11 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 1xg3 h ASN 252 Cb -0.04 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1xg3 h ASN 252 CO -0.03 0.50 0.02 0.58 -1.65 0.00 0.00 177.43 176.85 1xg3 h VAL 253 N 0.42 1.26 -0.39 2.81 2.07 -1.23 -1.40 116.25 119.80 1xg3 h VAL 253 Ca 0.12 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1xg3 h VAL 253 Cb 0.17 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1xg3 h VAL 253 CO -0.01 0.34 0.09 0.25 0.02 0.00 0.00 177.57 178.26 1xg3 h LEU 254 N 0.58 0.52 -0.08 2.57 5.85 -1.23 0.24 115.31 123.75 1xg3 h LEU 254 Ca 0.12 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1xg3 h LEU 254 Cb 0.46 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1xg3 h LEU 254 CO 0.02 0.52 -0.35 -0.09 -0.34 0.00 0.00 178.44 178.20 1xg3 h ARG 255 N 0.56 0.38 0.02 1.25 9.65 -1.15 -0.97 114.38 124.12 1xg3 h ARG 255 Ca 0.13 -0.30 -0.22 0.00 -1.10 0.00 0.00 59.98 58.49 1xg3 h ARG 255 Cb 0.21 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 1xg3 h ARG 255 CO -0.00 0.94 -0.97 0.37 2.80 0.00 0.00 179.97 183.11 1xg3 h GLN 256 N -0.09 0.28 0.00 0.20 4.15 -1.08 -3.35 115.11 115.22 1xg3 h GLN 256 Ca -0.02 -0.34 -0.14 0.00 0.77 0.00 0.00 58.65 58.92 1xg3 h GLN 256 Cb 1.00 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.77 1xg3 h GLN 256 CO 0.07 1.06 -1.62 0.39 -1.93 0.00 0.00 178.83 176.80 1xg3 n GLU 257 N -3.66 0.64 -1.09 1.69 -0.58 0.82 -4.98 120.64 113.48 1xg3 n GLU 257 Ca -0.05 0.09 -0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1xg3 n GLU 257 Cb 0.86 -1.71 -0.00 0.00 -0.57 0.00 0.00 31.44 30.02 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 1.39 0.39 3.60 0.62 0.00 -0.37 -5.00 105.19 105.83 1xg3 n GLY 258 Ca -0.11 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.01 0.00 -2.45 2.61 -1.32 -1.23 -5.04 115.64 106.19 1xg3 s THR 259 Ca 0.00 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.71 1xg3 s THR 259 Cb 0.00 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.38 1xg3 s THR 259 CO 0.00 0.00 1.36 0.00 -2.21 0.00 0.00 174.62 173.77 1xg3 n GLN 260 N 0.28 2.44 -0.29 7.08 0.00 -1.26 -4.19 117.38 121.44 1xg3 n GLN 260 Ca -0.03 -2.22 0.10 0.00 0.00 0.00 0.00 57.00 54.85 1xg3 n GLN 260 Cb 0.59 -1.49 0.24 0.00 0.00 0.00 0.00 30.24 29.57 1xg3 n GLN 260 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1xg3 h LYS 261 N 4.38 0.13 0.00 2.61 1.63 -1.97 0.05 116.57 123.39 1xg3 h LYS 261 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1xg3 h LYS 261 Cb 0.97 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1xg3 h LYS 261 CO 0.00 0.08 0.00 -1.13 -3.45 0.00 0.00 179.45 174.95 1xg3 n SER 262 N -5.32 0.00 -0.15 4.20 3.41 -1.26 -2.75 113.62 111.75 1xg3 n SER 262 Ca 0.19 0.45 0.03 0.00 -0.26 0.00 0.00 58.87 59.28 1xg3 n SER 262 Cb 0.62 -0.47 0.06 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.47 1.23 -0.21 -3.33 0.24 -0.02 -4.67 118.33 110.10 1xg3 n VAL 263 Ca 0.04 -1.29 0.01 0.00 -2.04 0.00 0.00 64.34 61.06 1xg3 n VAL 263 Cb 0.16 0.32 0.25 0.00 -1.47 0.00 0.00 33.84 33.11 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 0.39 1.19 0.00 1.34 1.08 -1.32 -1.62 117.51 118.57 1xg3 h ILE 264 Ca 0.00 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1xg3 h ILE 264 Cb 0.68 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1xg3 h ILE 264 CO 0.01 0.18 0.00 -0.90 -0.69 0.00 0.00 178.15 176.75 1xg3 n ASP 265 N -4.42 0.00 -0.58 1.72 5.68 -1.26 -1.53 116.55 116.15 1xg3 n ASP 265 Ca 0.08 0.29 0.12 0.00 -0.50 0.00 0.00 54.79 54.77 1xg3 n ASP 265 Cb 0.03 -0.37 0.13 0.00 -1.14 0.00 0.00 41.12 39.77 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 -1.37 0.00 -3.64 2.12 -2.24 -0.61 -4.97 114.28 103.57 1xg3 n THR 266 Ca 0.04 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 61.14 1xg3 n THR 266 Cb 0.09 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.38 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 -2.31 3.78 0.30 -0.78 -1.94 -0.58 -5.06 119.30 112.70 1xg3 s MET 267 Ca 0.24 0.19 -0.29 0.00 -1.71 0.00 0.00 55.69 54.12 1xg3 s MET 267 Cb 0.19 -3.23 -0.11 0.00 2.01 0.00 0.00 34.83 33.70 1xg3 s MET 267 CO 0.47 0.68 1.45 -1.14 -0.01 0.00 0.00 175.02 176.48 1xg3 s GLN 268 N -0.92 4.22 0.73 2.03 0.74 -1.26 -4.96 119.66 120.24 1xg3 s GLN 268 Ca 0.20 2.39 -0.11 0.00 0.05 0.00 0.00 55.36 57.89 1xg3 s GLN 268 Cb -0.15 -3.06 0.03 0.00 1.10 0.00 0.00 33.01 30.94 1xg3 s GLN 268 CO 0.09 -0.44 1.09 0.95 -0.55 0.00 0.00 175.29 176.43 1xg3 s THR 269 N -0.44 3.50 0.19 -0.34 -4.23 -1.26 -4.87 115.64 108.19 1xg3 s THR 269 Ca 0.57 0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 61.45 1xg3 s THR 269 Cb -0.44 -3.35 0.11 0.00 1.34 0.00 0.00 72.50 70.16 1xg3 s THR 269 CO 0.50 -0.64 1.83 -0.09 -0.54 0.00 0.00 174.62 175.68 1xg3 h ARG 270 N -0.80 0.71 -0.95 3.99 2.43 -2.00 -1.25 114.38 116.52 1xg3 h ARG 270 Ca -0.45 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1xg3 h ARG 270 Cb 1.25 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 1xg3 h ARG 270 CO 0.61 0.47 0.63 -0.97 -1.51 0.00 0.00 179.97 179.20 1xg3 h ASN 271 N 0.73 1.09 -0.66 -3.80 -0.73 -1.99 0.09 115.58 110.31 1xg3 h ASN 271 Ca 0.25 -0.03 -0.05 0.00 1.87 0.00 0.00 56.30 58.34 1xg3 h ASN 271 Cb 0.03 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 1xg3 h ASN 271 CO -0.11 0.79 0.21 -0.33 -0.37 0.00 0.00 177.43 177.62 1xg3 h GLU 272 N 1.29 1.03 -0.04 6.67 5.08 -1.70 -0.14 114.58 126.76 1xg3 h GLU 272 Ca 0.35 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1xg3 h GLU 272 Cb -0.15 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 28.95 1xg3 h GLU 272 CO -0.07 0.89 0.03 1.25 -1.00 0.00 0.00 179.01 180.11 1xg3 h LEU 273 N 0.96 0.05 -0.79 1.33 5.85 -0.62 -1.84 115.31 120.24 1xg3 h LEU 273 Ca 0.21 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1xg3 h LEU 273 Cb 0.30 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 1xg3 h LEU 273 CO -0.01 0.09 0.48 1.88 -0.34 0.00 0.00 178.44 180.55 1xg3 h TYR 274 N 0.01 0.89 -0.45 1.25 0.05 -0.65 -1.01 116.97 117.06 1xg3 h TYR 274 Ca 0.02 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1xg3 h TYR 274 Cb 0.05 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 1xg3 h TYR 274 CO -0.06 0.45 0.01 1.49 -1.05 0.00 0.00 178.16 179.00 1xg3 h GLU 275 N 0.88 0.72 -0.44 4.88 4.81 -0.85 0.10 114.58 124.68 1xg3 h GLU 275 Ca 0.35 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1xg3 h GLU 275 Cb 0.16 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1xg3 h GLU 275 CO -0.17 0.73 0.08 0.77 -0.73 0.00 0.00 179.01 179.69 1xg3 h SER 276 N 0.68 0.62 -0.45 1.04 0.02 -0.35 -3.04 113.55 112.07 1xg3 h SER 276 Ca 0.14 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1xg3 h SER 276 Cb 0.41 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1xg3 h SER 276 CO 0.02 0.63 0.00 2.30 -1.14 0.00 0.00 176.83 178.64 1xg3 n ILE 277 N -4.29 1.51 -3.38 3.27 -5.35 -0.76 -4.90 119.36 105.46 1xg3 n ILE 277 Ca 0.03 -1.25 -0.24 0.00 -0.27 0.00 0.00 62.75 61.02 1xg3 n ILE 277 Cb 0.22 0.23 0.04 0.00 -1.74 0.00 0.00 39.64 38.39 1xg3 n ILE 277 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1xg3 n ASN 278 N 0.56 -5.72 -0.02 7.28 4.05 -0.24 -4.92 115.26 116.24 1xg3 n ASN 278 Ca 0.19 -0.45 -0.09 0.00 0.45 0.00 0.00 54.58 54.68 1xg3 n ASN 278 Cb 0.68 -4.58 -0.02 0.00 1.23 0.00 0.00 39.78 37.08 1xg3 n ASN 278 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 177.26 174.43 1xg3 h TYR 279 N -1.85 -0.46 -0.91 1.20 5.03 -1.17 -3.16 116.97 115.66 1xg3 h TYR 279 Ca -0.54 0.03 0.08 0.00 2.58 0.00 0.00 58.73 60.88 1xg3 h TYR 279 Cb 1.36 0.23 -0.06 0.00 1.55 0.00 0.00 36.73 39.81 1xg3 h TYR 279 CO 0.55 -0.25 0.59 1.88 -1.32 0.00 0.00 178.16 179.60 1xg3 h TYR 280 N -0.20 1.02 -0.22 -3.82 -1.99 -1.91 -1.58 116.97 108.26 1xg3 h TYR 280 Ca 0.12 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.83 1xg3 h TYR 280 Cb 0.37 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 1xg3 h TYR 280 CO -0.32 0.50 -0.03 1.96 -0.00 0.00 0.00 178.16 180.27 1xg3 h GLN 281 N 0.97 0.33 0.02 4.88 4.20 -1.95 -1.75 115.11 121.82 1xg3 h GLN 281 Ca 0.41 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 1xg3 h GLN 281 Cb 0.30 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1xg3 h GLN 281 CO -0.16 0.39 -0.01 1.88 -0.67 0.00 0.00 178.83 180.26 1xg3 h TYR 282 N 0.32 -0.03 -0.84 2.96 -1.99 -1.37 -3.18 116.97 112.85 1xg3 h TYR 282 Ca 0.07 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.81 1xg3 h TYR 282 Cb 0.27 0.01 -0.04 0.00 2.00 0.00 0.00 36.73 38.97 1xg3 h TYR 282 CO 0.01 0.58 0.55 1.49 -0.00 0.00 0.00 178.16 180.79 1xg3 h GLU 283 N -0.66 1.12 -0.99 4.88 4.81 -1.32 -1.63 114.58 120.78 1xg3 h GLU 283 Ca -0.00 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1xg3 h GLU 283 Cb 0.62 -0.25 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 1xg3 h GLU 283 CO 0.00 0.75 0.64 1.49 -0.73 0.00 0.00 179.01 181.16 1xg3 h GLU 284 N 1.15 1.15 -0.61 1.92 4.81 -1.41 -0.13 114.58 121.46 1xg3 h GLU 284 Ca 0.31 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1xg3 h GLU 284 Cb -0.11 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 28.98 1xg3 h GLU 284 CO -0.06 0.76 0.17 0.87 -0.73 0.00 0.00 179.01 180.01 1xg3 h LYS 285 N 1.18 0.94 -0.53 1.92 1.57 -1.28 -1.71 116.57 118.66 1xg3 h LYS 285 Ca 0.42 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1xg3 h LYS 285 Cb 0.12 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1xg3 h LYS 285 CO -0.16 0.82 0.03 -0.07 -0.57 0.00 0.00 179.45 179.51 1xg3 h LEU 286 N 0.90 0.89 -1.86 2.94 3.38 -0.87 -2.87 115.31 117.83 1xg3 h LEU 286 Ca 0.20 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1xg3 h LEU 286 Cb 0.30 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xg3 h LEU 286 CO -0.00 0.96 -0.14 0.44 0.09 0.00 0.00 178.44 179.79 1xg3 h ASP 287 N 0.80 0.00 0.75 -0.43 3.32 -0.60 -2.67 116.42 117.59 1xg3 h ASP 287 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1xg3 h ASP 287 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1xg3 h ASP 287 CO 0.02 0.14 0.00 0.59 -1.72 0.00 0.00 179.24 178.27 1xg3 n ASN 288 N -3.77 0.00 0.00 6.45 3.02 -0.68 -5.10 115.26 115.17 1xg3 n ASN 288 Ca -0.02 0.21 0.07 0.00 -0.03 0.00 0.00 54.58 54.81 1xg3 n ASN 288 Cb 0.24 -0.40 0.41 0.00 -0.61 0.00 0.00 39.78 39.42 1xg3 n ASN 288 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82