#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgw n VAL 30 N 0.00 0.96 -3.91 1.55 3.14 -1.26 -4.99 118.33 113.82 1xgw n VAL 30 Ca 0.00 -0.24 -0.30 0.00 -2.96 0.00 0.00 64.34 60.84 1xgw n VAL 30 Cb 0.00 -1.74 -0.15 0.00 -1.06 0.00 0.00 33.84 30.89 1xgw n VAL 30 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1xgw s MET 31 N -0.42 1.40 -0.72 1.45 1.00 -1.26 -5.08 119.30 115.67 1xgw s MET 31 Ca 0.66 -1.21 -0.22 0.00 0.00 0.00 0.00 55.69 54.92 1xgw s MET 31 Cb -0.57 -2.60 0.08 0.00 0.00 0.00 0.00 34.83 31.74 1xgw s MET 31 CO 0.49 -0.76 1.03 -0.80 0.00 0.00 0.00 175.02 174.98 1xgw s ASN 32 N 1.33 6.25 0.38 3.03 -0.87 -1.26 -5.00 114.94 118.80 1xgw s ASN 32 Ca 0.01 -1.12 0.08 0.00 -1.57 0.00 0.00 52.86 50.26 1xgw s ASN 32 Cb -0.19 -2.43 -0.05 0.00 -0.02 0.00 0.00 41.25 38.56 1xgw s ASN 32 CO -0.11 -1.42 0.11 -0.31 -2.57 0.00 0.00 177.10 172.80 1xgw s TYR 33 N 4.04 2.60 1.04 2.20 1.51 -1.26 -5.14 117.35 122.34 1xgw s TYR 33 Ca 0.26 -0.50 -0.12 0.00 -1.01 0.00 0.00 57.07 55.69 1xgw s TYR 33 Cb -0.14 -1.74 0.21 0.00 -0.11 0.00 0.00 41.96 40.18 1xgw s TYR 33 CO 0.07 0.32 1.08 -1.54 -1.11 0.00 0.00 175.55 174.36 1xgw s SER 34 N -3.82 2.19 0.17 2.29 1.04 -1.26 -4.76 113.70 109.55 1xgw s SER 34 Ca 0.38 1.31 -0.14 0.00 0.48 0.00 0.00 55.95 57.98 1xgw s SER 34 Cb 0.02 -2.01 0.08 0.00 0.10 0.00 0.00 66.02 64.21 1xgw s SER 34 CO 0.21 -3.42 1.82 -0.33 0.98 0.00 0.00 173.24 172.51 1xgw h GLU 35 N -2.09 0.62 -0.14 4.02 5.08 -2.01 -0.79 114.58 119.28 1xgw h GLU 35 Ca -0.56 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 57.60 1xgw h GLU 35 Cb 1.33 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1xgw h GLU 35 CO 0.55 0.41 -0.58 0.97 -1.00 0.00 0.00 179.01 179.36 1xgw h ILE 36 N 0.64 1.34 -0.67 3.13 6.09 -1.98 -2.51 117.51 123.56 1xgw h ILE 36 Ca 0.20 -1.87 -0.04 0.00 -1.37 0.00 0.00 64.86 61.78 1xgw h ILE 36 Cb -0.02 1.87 -0.03 0.00 0.47 0.00 0.00 36.82 39.11 1xgw h ILE 36 CO -0.07 0.57 0.26 -0.33 -3.07 0.00 0.00 178.15 175.51 1xgw h GLU 37 N 0.33 0.99 -0.03 2.19 5.08 -1.80 -2.31 114.58 119.02 1xgw h GLU 37 Ca -0.00 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.05 1xgw h GLU 37 Cb 1.11 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1xgw h GLU 37 CO 0.10 0.81 -0.63 0.77 -1.00 0.00 0.00 179.01 179.06 1xgw h SER 38 N 0.97 0.15 -0.48 1.42 0.02 -0.97 -2.61 113.55 112.04 1xgw h SER 38 Ca 0.23 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 1xgw h SER 38 Cb 0.19 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1xgw h SER 38 CO -0.02 0.74 -0.18 0.11 -1.14 0.00 0.00 176.83 176.34 1xgw h LYS 39 N 0.10 0.98 -0.30 3.45 1.57 -1.13 -1.36 116.57 119.88 1xgw h LYS 39 Ca -0.01 -0.41 0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1xgw h LYS 39 Cb 1.13 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1xgw h LYS 39 CO 0.09 1.08 0.16 0.28 -0.57 0.00 0.00 179.45 180.49 1xgw h VAL 40 N 0.83 1.01 -0.27 0.50 2.07 -1.37 -1.36 116.25 117.67 1xgw h VAL 40 Ca 0.11 -0.12 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1xgw h VAL 40 Cb 0.76 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1xgw h VAL 40 CO 0.06 0.06 0.01 0.03 0.02 0.00 0.00 177.57 177.75 1xgw h ARG 41 N 0.34 0.09 -0.55 1.57 3.08 -1.41 -1.54 114.38 115.96 1xgw h ARG 41 Ca 0.12 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.27 1xgw h ARG 41 Cb 0.02 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1xgw h ARG 41 CO -0.07 0.06 0.09 1.49 -1.07 0.00 0.00 179.97 180.47 1xgw h GLU 42 N 0.10 0.21 0.00 0.04 4.81 -0.97 0.23 114.58 118.99 1xgw h GLU 42 Ca 0.13 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1xgw h GLU 42 Cb 0.16 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1xgw h GLU 42 CO -0.21 0.14 -0.05 0.00 -0.73 0.00 0.00 179.01 178.16 1xgw h ALA 43 N 1.45 1.13 -0.44 2.92 0.00 -0.87 -3.10 119.26 120.35 1xgw h ALA 43 Ca 0.28 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 1xgw h ALA 43 Cb 0.41 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 1xgw h ALA 43 CO -0.39 0.07 0.05 0.25 0.00 0.00 0.00 179.25 179.23 1xgw n THR 44 N -3.34 2.61 -1.70 0.00 -2.24 0.75 -4.32 114.28 106.04 1xgw n THR 44 Ca -0.01 -2.44 -0.30 0.00 -2.27 0.00 0.00 64.05 59.03 1xgw n THR 44 Cb 0.21 -0.33 0.09 0.00 -2.10 0.00 0.00 70.33 68.20 1xgw n THR 44 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xgw s ASN 45 N -2.21 4.57 0.00 3.42 2.20 -0.81 -4.29 114.94 117.82 1xgw s ASN 45 Ca 0.46 1.10 0.14 0.00 -0.94 0.00 0.00 52.86 53.62 1xgw s ASN 45 Cb 0.41 -1.78 0.86 0.00 -2.00 0.00 0.00 41.25 38.74 1xgw s ASN 45 CO 0.03 -1.89 1.40 0.47 -2.94 0.00 0.00 177.10 174.17 1xgw n ASP 46 N -3.36 0.00 -4.75 3.54 8.00 -1.26 -4.37 116.55 114.36 1xgw n ASP 46 Ca 0.07 -1.13 -0.41 0.00 0.71 0.00 0.00 54.79 54.03 1xgw n ASP 46 Cb 0.58 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 1xgw n ASP 46 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1xgw s ASP 47 N -1.66 7.00 0.00 -2.24 1.01 -1.26 -4.90 116.67 114.63 1xgw s ASP 47 Ca 0.22 2.37 0.00 0.00 0.71 0.00 0.00 52.55 55.85 1xgw s ASP 47 Cb 0.10 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.41 1xgw s ASP 47 CO 0.17 -0.41 1.25 -0.81 0.21 0.00 0.00 175.17 175.57 1xgw n PRO 48 N 2.05 0.64 -3.59 8.23 -0.04 -1.26 -4.48 135.00 136.54 1xgw n PRO 48 Ca 0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 1xgw n PRO 48 Cb 0.44 -1.18 -0.13 0.00 -0.04 0.00 0.00 33.50 32.59 1xgw n PRO 48 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1xgw s TRP 49 N 0.71 -0.42 1.09 0.54 -2.14 -1.26 -5.16 118.94 112.30 1xgw s TRP 49 Ca 0.00 0.77 -0.20 0.00 2.66 0.00 0.00 56.10 59.33 1xgw s TRP 49 Cb 0.00 -0.12 0.05 0.00 -3.10 0.00 0.00 33.47 30.30 1xgw s TRP 49 CO 0.00 -0.45 -0.21 0.41 -2.66 0.00 0.00 176.95 174.04 1xgw n GLY 50 N 5.34 -2.58 3.76 3.67 0.00 -1.26 -4.87 105.19 109.25 1xgw n GLY 50 Ca -0.06 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 1xgw n GLY 50 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xgw s PRO 51 N -3.22 3.66 0.67 1.61 0.04 -1.26 -4.98 135.00 131.53 1xgw s PRO 51 Ca 0.53 1.97 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 1xgw s PRO 51 Cb -0.09 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 32.00 1xgw s PRO 51 CO 0.67 -0.69 1.16 -1.54 0.04 0.00 0.00 177.00 176.63 1xgw s SER 52 N -1.12 4.78 0.60 6.66 1.04 -1.26 -4.83 113.70 119.57 1xgw s SER 52 Ca 0.64 2.19 0.30 0.00 0.48 0.00 0.00 55.95 59.56 1xgw s SER 52 Cb -0.34 -2.57 1.72 0.00 0.10 0.00 0.00 66.02 64.93 1xgw s SER 52 CO 0.41 -1.86 2.10 1.23 0.98 0.00 0.00 173.24 176.10 1xgw h GLY 53 N 0.05 0.00 0.43 7.32 0.00 -1.98 -1.82 103.07 107.06 1xgw h GLY 53 Ca -0.48 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1xgw h GLY 53 CO 0.52 0.00 -0.24 -1.61 0.00 0.00 0.00 176.54 175.21 1xgw h GLN 54 N 0.00 0.16 -0.18 4.80 4.15 -1.98 -1.74 115.11 120.32 1xgw h GLN 54 Ca 0.08 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.26 1xgw h GLN 54 Cb 0.49 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1xgw h GLN 54 CO -0.00 0.92 -0.12 1.25 -1.93 0.00 0.00 178.83 178.96 1xgw h LEU 55 N -0.53 0.42 -0.95 -2.39 5.85 -1.81 -2.15 115.31 113.75 1xgw h LEU 55 Ca -0.03 -0.44 0.11 0.00 0.84 0.00 0.00 57.88 58.37 1xgw h LEU 55 Cb 1.01 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 1xgw h LEU 55 CO 0.05 0.76 0.58 0.24 -0.34 0.00 0.00 178.44 179.73 1xgw h MET 56 N 0.07 0.90 -0.99 1.25 2.86 -1.50 -1.49 114.93 116.04 1xgw h MET 56 Ca 0.04 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1xgw h MET 56 Cb 0.62 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 1xgw h MET 56 CO 0.03 0.60 0.65 0.78 1.06 0.00 0.00 176.91 180.03 1xgw h GLY 57 N 0.93 1.42 1.54 8.32 0.00 -0.99 -0.11 103.07 114.18 1xgw h GLY 57 Ca 0.47 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1xgw h GLY 57 CO -0.26 0.46 -0.53 1.05 0.00 0.00 0.00 176.54 177.25 1xgw h GLU 58 N 1.29 0.00 -0.05 4.80 4.11 -0.86 -2.62 114.58 121.24 1xgw h GLU 58 Ca 0.38 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.56 1xgw h GLU 58 Cb -0.07 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.20 1xgw h GLU 58 CO -0.10 0.07 -0.94 0.82 0.07 0.00 0.00 179.01 178.92 1xgw h ILE 59 N 0.00 1.29 -0.93 -1.06 2.04 -1.11 -2.99 117.51 114.75 1xgw h ILE 59 Ca -0.01 -2.17 0.10 0.00 1.00 0.00 0.00 64.86 63.77 1xgw h ILE 59 Cb 1.08 2.25 -0.08 0.00 -0.74 0.00 0.00 36.82 39.33 1xgw h ILE 59 CO 0.01 0.68 0.57 0.00 0.00 0.00 0.00 178.15 179.41 1xgw h ALA 60 N 0.50 1.35 -0.15 1.87 0.00 -0.94 -2.24 119.26 119.65 1xgw h ALA 60 Ca -0.10 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1xgw h ALA 60 Cb 1.58 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1xgw h ALA 60 CO 0.19 0.23 -0.63 1.57 0.00 0.00 0.00 179.25 180.60 1xgw h LYS 61 N 0.96 0.56 0.00 0.00 5.09 -1.51 -3.15 116.57 118.52 1xgw h LYS 61 Ca 0.44 -0.39 -0.01 0.00 0.09 0.00 0.00 60.65 60.78 1xgw h LYS 61 Cb 0.36 0.06 -0.00 0.00 0.10 0.00 0.00 32.23 32.75 1xgw h LYS 61 CO -0.23 1.01 -0.06 0.00 -2.09 0.00 0.00 179.45 178.08 1xgw h ALA 62 N 0.89 1.14 0.00 0.07 0.00 -1.28 -1.95 119.26 118.13 1xgw h ALA 62 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xgw h ALA 62 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xgw h ALA 62 CO 0.12 0.07 -0.12 1.79 0.00 0.00 0.00 179.25 181.11 1xgw h THR 63 N 0.00 0.70 0.00 0.00 1.35 -1.37 -1.06 112.91 112.53 1xgw h THR 63 Ca -0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1xgw h THR 63 Cb 0.30 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1xgw h THR 63 CO 0.01 0.12 0.00 0.49 -0.25 0.00 0.00 175.52 175.89 1xgw n PHE 64 N -3.83 0.35 -2.91 4.73 3.72 -0.73 -4.56 117.46 114.23 1xgw n PHE 64 Ca -0.02 0.11 -0.43 0.00 -0.05 0.00 0.00 57.45 57.05 1xgw n PHE 64 Cb 0.22 -0.67 -0.04 0.00 -0.94 0.00 0.00 39.48 38.05 1xgw n PHE 64 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 1xgw s MET 65 N -3.06 3.17 0.48 -1.08 -1.94 -0.40 -4.94 119.30 111.53 1xgw s MET 65 Ca 0.11 -1.05 0.24 0.00 -1.71 0.00 0.00 55.69 53.28 1xgw s MET 65 Cb 0.15 -4.34 1.19 0.00 2.01 0.00 0.00 34.83 33.84 1xgw s MET 65 CO 0.51 -1.77 1.97 1.88 -0.01 0.00 0.00 175.02 177.60 1xgw h TYR 66 N 9.40 0.00 0.00 -0.03 0.99 -1.82 -1.52 116.97 123.98 1xgw h TYR 66 Ca -0.22 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.50 1xgw h TYR 66 Cb 1.07 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.79 1xgw h TYR 66 CO 0.98 0.19 -0.03 0.93 -0.00 0.00 0.00 178.16 180.22 1xgw h GLU 67 N 0.00 0.00 0.00 4.88 3.07 -1.94 -3.15 114.58 117.44 1xgw h GLU 67 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1xgw h GLU 67 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1xgw h GLU 67 CO 0.02 0.03 0.00 0.00 -1.40 0.00 0.00 179.01 177.67 1xgw n GLN 68 N -3.59 0.03 -0.05 2.33 10.64 -0.64 -4.79 117.38 121.31 1xgw n GLN 68 Ca -0.02 -0.39 -0.08 0.00 -1.83 0.00 0.00 57.00 54.67 1xgw n GLN 68 Cb 0.13 -0.88 -0.02 0.00 -0.86 0.00 0.00 30.24 28.61 1xgw n GLN 68 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 1xgw h PHE 69 N 0.00 -0.11 -0.41 2.61 3.57 -1.32 -1.65 116.94 119.62 1xgw h PHE 69 Ca 0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1xgw h PHE 69 Cb 0.04 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1xgw h PHE 69 CO 0.00 -0.09 0.22 -1.35 -2.23 0.00 0.00 178.31 174.85 1xgw h PRO 70 N 0.00 0.42 0.00 6.41 0.11 -1.87 0.19 132.00 137.27 1xgw h PRO 70 Ca 0.10 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.07 1xgw h PRO 70 Cb 0.16 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1xgw h PRO 70 CO -0.22 0.28 -0.55 1.05 -0.21 0.00 0.00 178.00 178.35 1xgw h GLU 71 N 0.44 0.00 0.04 1.05 4.11 -1.87 0.17 114.58 118.52 1xgw h GLU 71 Ca 0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.60 1xgw h GLU 71 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xgw h GLU 71 CO -0.11 0.55 -0.02 1.25 0.07 0.00 0.00 179.01 180.75 1xgw h LEU 72 N 0.00 -0.04 -0.30 3.06 6.46 -0.98 -1.92 115.31 121.59 1xgw h LEU 72 Ca -0.01 -0.16 -0.05 0.00 -0.12 0.00 0.00 57.88 57.54 1xgw h LEU 72 Cb 1.07 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.01 1xgw h LEU 72 CO 0.07 0.13 -0.02 -0.03 -0.62 0.00 0.00 178.44 177.97 1xgw h MET 73 N -0.22 0.55 0.00 1.25 4.05 -0.73 -2.29 114.93 117.54 1xgw h MET 73 Ca -0.01 -0.19 -0.07 0.00 -0.28 0.00 0.00 59.70 59.16 1xgw h MET 73 Cb 0.20 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1xgw h MET 73 CO 0.01 0.71 -0.31 -0.91 0.23 0.00 0.00 176.91 176.63 1xgw h ASN 74 N 0.33 0.00 0.19 1.39 -0.26 -0.71 -0.85 115.58 115.67 1xgw h ASN 74 Ca 0.08 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.63 1xgw h ASN 74 Cb 0.47 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1xgw h ASN 74 CO 0.02 0.31 -0.75 -0.03 -1.06 0.00 0.00 177.43 175.93 1xgw h MET 75 N 0.00 0.47 -0.09 0.81 4.05 -1.21 -2.44 114.93 116.53 1xgw h MET 75 Ca -0.00 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1xgw h MET 75 Cb 0.58 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1xgw h MET 75 CO 0.04 1.02 0.06 1.25 0.23 0.00 0.00 176.91 179.51 1xgw h LEU 76 N 0.32 0.11 -0.72 3.39 6.46 -0.77 -1.37 115.31 122.73 1xgw h LEU 76 Ca -0.04 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 1xgw h LEU 76 Cb 1.33 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.20 1xgw h LEU 76 CO 0.13 0.09 0.33 -0.50 -0.62 0.00 0.00 178.44 177.87 1xgw h TRP 77 N 0.11 1.05 0.00 1.25 4.06 -1.19 -1.47 115.95 119.77 1xgw h TRP 77 Ca 0.03 -0.06 -0.16 0.00 2.06 0.00 0.00 58.89 60.77 1xgw h TRP 77 Cb 0.00 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 27.81 1xgw h TRP 77 CO -0.07 0.79 -0.75 0.66 -3.56 0.00 0.00 178.44 175.51 1xgw h SER 78 N 1.01 0.00 -0.29 -3.49 4.64 -1.36 0.26 113.55 114.33 1xgw h SER 78 Ca 0.25 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.47 1xgw h SER 78 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1xgw h SER 78 CO -0.03 0.75 -0.16 0.03 -0.87 0.00 0.00 176.83 176.55 1xgw h ARG 79 N 0.00 0.73 -0.22 4.77 2.47 -1.13 0.99 114.38 122.00 1xgw h ARG 79 Ca -0.01 -0.26 -0.12 0.00 -1.26 0.00 0.00 59.98 58.34 1xgw h ARG 79 Cb 1.45 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.72 1xgw h ARG 79 CO 0.10 0.85 -0.32 1.98 0.56 0.00 0.00 179.97 183.14 1xgw h MET 80 N 0.66 0.60 0.00 0.04 4.05 -1.06 -3.40 114.93 115.81 1xgw h MET 80 Ca 0.10 -0.35 -0.12 0.00 -0.28 0.00 0.00 59.70 59.05 1xgw h MET 80 Cb 0.63 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 1xgw h MET 80 CO 0.04 0.96 -1.51 1.28 0.23 0.00 0.00 176.91 177.92 1xgw n LEU 81 N -4.30 0.00 -4.71 3.39 4.77 0.90 -4.79 117.00 112.25 1xgw n LEU 81 Ca -0.05 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.55 1xgw n LEU 81 Cb 0.49 0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.68 1xgw n LEU 81 CO 0.44 0.17 0.13 -0.75 -1.33 0.00 0.00 177.39 176.05 1xgw s LYS 82 N -2.23 4.30 -1.22 3.23 2.47 0.34 -4.41 119.74 122.21 1xgw s LYS 82 Ca -0.04 0.34 -0.19 0.00 -1.56 0.00 0.00 55.97 54.53 1xgw s LYS 82 Cb 0.03 -3.45 0.00 0.00 -1.46 0.00 0.00 37.83 32.95 1xgw s LYS 82 CO 0.32 0.14 0.67 -3.47 0.16 0.00 0.00 175.35 173.17 1xgw n ASP 83 N 3.80 -3.83 -0.80 1.43 2.03 -1.26 -4.72 116.55 113.20 1xgw n ASP 83 Ca -0.08 -1.08 0.08 0.00 0.52 0.00 0.00 54.79 54.23 1xgw n ASP 83 Cb 0.52 -2.94 0.16 0.00 -0.72 0.00 0.00 41.12 38.14 1xgw n ASP 83 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1xgw n ASN 84 N -2.65 2.96 0.18 1.67 6.94 -1.26 -4.67 115.26 118.43 1xgw n ASN 84 Ca -0.15 -1.88 0.13 0.00 -0.02 0.00 0.00 54.58 52.66 1xgw n ASN 84 Cb 0.61 -0.22 0.40 0.00 -2.36 0.00 0.00 39.78 38.21 1xgw n ASN 84 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1xgw h LYS 85 N 2.90 0.00 -0.01 -3.83 1.57 -1.94 -3.16 116.57 112.10 1xgw h LYS 85 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xgw h LYS 85 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1xgw h LYS 85 CO 0.00 0.00 -0.06 1.63 -0.57 0.00 0.00 179.45 180.45 1xgw n LYS 86 N -2.71 0.95 -3.49 3.15 5.02 -1.26 -4.80 118.16 115.03 1xgw n LYS 86 Ca 0.03 -1.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.06 1xgw n LYS 86 Cb 0.41 -1.18 -0.09 0.00 -0.02 0.00 0.00 35.03 34.15 1xgw n LYS 86 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xgw n ASN 87 N 0.37 1.99 -0.01 4.39 3.02 -1.19 -4.98 115.26 118.86 1xgw n ASN 87 Ca 0.06 -3.02 -0.06 0.00 -0.03 0.00 0.00 54.58 51.53 1xgw n ASN 87 Cb 0.26 -0.66 0.13 0.00 -0.61 0.00 0.00 39.78 38.89 1xgw n ASN 87 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1xgw h TRP 88 N 4.70 0.65 -0.51 3.10 5.08 -1.87 -2.90 115.95 124.20 1xgw h TRP 88 Ca 0.17 -0.17 -0.12 0.00 1.08 0.00 0.00 58.89 59.85 1xgw h TRP 88 Cb 0.78 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 26.78 1xgw h TRP 88 CO 0.55 0.83 -0.16 -0.09 -1.28 0.00 0.00 178.44 178.29 1xgw h ARG 89 N 0.47 1.01 -0.41 0.12 9.65 -1.92 0.06 114.38 123.36 1xgw h ARG 89 Ca 0.05 -0.41 0.08 0.00 -1.10 0.00 0.00 59.98 58.61 1xgw h ARG 89 Cb 0.82 -0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 29.27 1xgw h ARG 89 CO 0.07 1.09 -0.15 -0.09 2.80 0.00 0.00 179.97 183.69 1xgw h ARG 90 N 0.88 -0.06 -0.45 0.20 2.43 -1.71 0.47 114.38 116.13 1xgw h ARG 90 Ca 0.12 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1xgw h ARG 90 Cb 0.74 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1xgw h ARG 90 CO 0.06 -0.04 0.09 0.28 -1.51 0.00 0.00 179.97 178.84 1xgw h VAL 91 N -0.07 1.24 -0.47 0.20 2.07 -1.29 -2.31 116.25 115.62 1xgw h VAL 91 Ca 0.20 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1xgw h VAL 91 Cb 0.37 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1xgw h VAL 91 CO -0.45 0.31 0.17 0.22 0.02 0.00 0.00 177.57 177.83 1xgw h TYR 92 N 0.61 0.68 0.00 1.57 3.20 -0.29 -1.77 116.97 120.97 1xgw h TYR 92 Ca 0.14 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1xgw h TYR 92 Cb 0.36 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1xgw h TYR 92 CO 0.02 0.55 -0.15 0.87 -1.64 0.00 0.00 178.16 177.82 1xgw h LYS 93 N 0.67 0.00 -0.12 1.82 1.57 -0.84 -1.54 116.57 118.13 1xgw h LYS 93 Ca 0.16 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.75 1xgw h LYS 93 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xgw h LYS 93 CO -0.01 0.00 -0.72 0.77 -0.57 0.00 0.00 179.45 178.92 1xgw h SER 94 N 0.00 0.64 -0.38 0.86 0.02 -0.76 0.68 113.55 114.61 1xgw h SER 94 Ca 0.00 -0.41 -0.07 0.00 -0.84 0.00 0.00 61.79 60.47 1xgw h SER 94 Cb 0.98 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1xgw h SER 94 CO 0.00 1.16 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.76 1xgw h LEU 95 N 0.38 0.67 -0.33 5.07 3.38 -1.19 0.11 115.31 123.41 1xgw h LEU 95 Ca -0.03 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.67 1xgw h LEU 95 Cb 1.30 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1xgw h LEU 95 CO 0.13 0.83 0.06 -0.07 0.09 0.00 0.00 178.44 179.49 1xgw h LEU 96 N 0.50 0.00 -0.16 1.67 3.38 -1.10 0.24 115.31 119.84 1xgw h LEU 96 Ca 0.10 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xgw h LEU 96 Cb 0.50 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1xgw h LEU 96 CO 0.02 0.04 0.06 0.25 0.09 0.00 0.00 178.44 178.90 1xgw h LEU 97 N 0.17 0.23 -0.75 1.67 5.85 -0.76 -2.27 115.31 119.46 1xgw h LEU 97 Ca 0.16 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1xgw h LEU 97 Cb 0.17 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1xgw h LEU 97 CO -0.21 0.35 0.42 0.25 -0.34 0.00 0.00 178.44 178.92 1xgw h LEU 98 N 0.10 0.93 -0.54 2.25 5.85 -0.50 0.81 115.31 124.21 1xgw h LEU 98 Ca 0.05 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.78 1xgw h LEU 98 Cb 0.20 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.92 1xgw h LEU 98 CO -0.00 0.75 0.11 0.00 -0.34 0.00 0.00 178.44 178.95 1xgw h ALA 99 N 1.22 0.61 -0.35 1.25 0.00 -0.43 0.02 119.26 121.57 1xgw h ALA 99 Ca 0.27 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1xgw h ALA 99 Cb 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xgw h ALA 99 CO -0.04 -0.31 -0.16 -0.92 0.00 0.00 0.00 179.25 177.82 1xgw h TYR 100 N 0.24 0.83 -0.23 0.00 3.20 -0.92 -3.12 116.97 116.97 1xgw h TYR 100 Ca 0.27 -0.20 -0.10 0.00 3.14 0.00 0.00 58.73 61.84 1xgw h TYR 100 Cb 0.38 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1xgw h TYR 100 CO -0.24 0.92 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.84 1xgw h LEU 101 N 0.51 0.47 -1.39 2.82 3.38 -0.53 0.20 115.31 120.77 1xgw h LEU 101 Ca 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1xgw h LEU 101 Cb 0.70 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1xgw h LEU 101 CO 0.05 0.75 -0.05 -0.29 0.09 0.00 0.00 178.44 179.00 1xgw h ILE 102 N 0.41 0.12 0.12 1.22 2.10 -1.01 0.55 117.51 121.02 1xgw h ILE 102 Ca 0.05 -0.63 -0.35 0.00 1.08 0.00 0.00 64.86 65.01 1xgw h ILE 102 Cb 0.72 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 38.00 1xgw h ILE 102 CO 0.06 0.04 -1.87 0.03 -1.08 0.00 0.00 178.15 175.33 1xgw h ARG 103 N 0.00 0.26 0.00 2.19 3.08 -1.38 -3.44 114.38 115.09 1xgw h ARG 103 Ca -0.00 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1xgw h ARG 103 Cb 0.56 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1xgw h ARG 103 CO 0.01 1.21 -0.94 0.09 -1.07 0.00 0.00 179.97 179.27 1xgw n ASN 104 N -3.61 2.39 -3.89 7.04 4.13 0.65 -4.66 115.26 117.31 1xgw n ASN 104 Ca -0.31 -0.23 -0.22 0.00 1.68 0.00 0.00 54.58 55.51 1xgw n ASN 104 Cb 1.01 1.19 0.13 0.00 -1.54 0.00 0.00 39.78 40.57 1xgw n ASN 104 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xgw n GLY 105 N 1.79 -0.29 3.51 7.41 0.00 0.19 -4.82 105.19 112.98 1xgw n GLY 105 Ca -0.00 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 1xgw n GLY 105 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xgw n SER 106 N -3.28 -0.82 0.30 1.61 2.88 -1.26 -4.89 113.62 108.17 1xgw n SER 106 Ca 0.14 0.52 0.16 0.00 -1.33 0.00 0.00 58.87 58.36 1xgw n SER 106 Cb 0.49 -1.30 0.96 0.00 -0.75 0.00 0.00 64.21 63.61 1xgw n SER 106 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1xgw h GLU 107 N -0.83 0.00 -0.01 -1.46 4.57 -1.93 -1.61 114.58 113.31 1xgw h GLU 107 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1xgw h GLU 107 Cb 1.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1xgw h GLU 107 CO 0.41 0.00 0.02 0.00 -1.18 0.00 0.00 179.01 178.26 1xgw h ARG 108 N 0.00 0.00 -0.45 1.92 3.08 -1.92 -1.01 114.38 116.00 1xgw h ARG 108 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1xgw h ARG 108 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1xgw h ARG 108 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 179.97 179.18 1xgw h VAL 109 N 0.00 1.26 -0.02 2.04 2.07 -1.63 0.14 116.25 120.11 1xgw h VAL 109 Ca 0.01 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 1xgw h VAL 109 Cb 0.04 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1xgw h VAL 109 CO -0.00 0.36 0.01 0.58 0.02 0.00 0.00 177.57 178.54 1xgw h VAL 110 N 0.64 1.07 -0.35 2.57 2.07 -1.36 -0.68 116.25 120.22 1xgw h VAL 110 Ca 0.13 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1xgw h VAL 110 Cb 0.49 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1xgw h VAL 110 CO 0.02 0.06 0.02 0.74 0.02 0.00 0.00 177.57 178.43 1xgw h THR 111 N -0.05 0.76 -0.56 2.57 2.02 -1.16 -1.63 112.91 114.85 1xgw h THR 111 Ca 0.01 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1xgw h THR 111 Cb 0.09 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1xgw h THR 111 CO -0.00 0.02 0.09 -1.28 0.37 0.00 0.00 175.52 174.72 1xgw h SER 112 N 0.12 0.89 -0.80 4.18 0.87 -0.54 0.13 113.55 118.41 1xgw h SER 112 Ca 0.17 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 1xgw h SER 112 Cb 0.22 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 1xgw h SER 112 CO -0.27 0.93 0.34 0.00 -0.53 0.00 0.00 176.83 177.30 1xgw h ALA 113 N 1.00 1.09 -0.00 6.23 0.00 -0.95 -1.69 119.26 124.93 1xgw h ALA 113 Ca 0.17 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 1xgw h ALA 113 Cb 0.41 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1xgw h ALA 113 CO 0.01 0.66 -1.01 0.00 0.00 0.00 0.00 179.25 178.91 1xgw h ARG 114 N 1.16 0.63 0.00 0.00 3.08 -0.73 -1.62 114.38 116.90 1xgw h ARG 114 Ca 0.27 -0.67 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 1xgw h ARG 114 Cb 0.19 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1xgw h ARG 114 CO -0.03 1.27 -0.12 0.93 -1.07 0.00 0.00 179.97 180.95 1xgw h GLU 115 N 0.36 0.00 -0.15 0.04 5.08 -0.63 -2.58 114.58 116.69 1xgw h GLU 115 Ca -0.11 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1xgw h GLU 115 Cb 1.66 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.85 1xgw h GLU 115 CO 0.19 0.12 -0.40 0.72 -1.00 0.00 0.00 179.01 178.65 1xgw n HIS 116 N -3.40 0.51 -0.15 4.33 8.25 -0.65 -4.81 115.22 119.31 1xgw n HIS 116 Ca -0.01 -1.59 0.09 0.00 -0.26 0.00 0.00 57.72 55.95 1xgw n HIS 116 Cb 0.30 -0.33 0.42 0.00 1.12 0.00 0.00 29.99 31.50 1xgw n HIS 116 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1xgw h ILE 117 N 1.08 0.95 0.00 1.59 6.09 -0.87 -1.78 117.51 124.57 1xgw h ILE 117 Ca 0.09 -0.21 -0.13 0.00 -1.37 0.00 0.00 64.86 63.24 1xgw h ILE 117 Cb 1.22 0.29 -0.02 0.00 0.47 0.00 0.00 36.82 38.78 1xgw h ILE 117 CO 0.17 0.11 -0.62 1.88 -3.07 0.00 0.00 178.15 176.62 1xgw h TYR 118 N 0.60 0.00 -0.60 2.19 0.05 -1.87 0.13 116.97 117.48 1xgw h TYR 118 Ca 0.31 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.02 1xgw h TYR 118 Cb 0.42 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 1xgw h TYR 118 CO -0.00 0.62 0.11 -0.44 -1.05 0.00 0.00 178.16 177.40 1xgw h ASP 119 N 0.00 0.95 -0.13 3.88 3.32 -1.75 -2.51 116.42 120.18 1xgw h ASP 119 Ca -0.01 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 1xgw h ASP 119 Cb 1.40 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1xgw h ASP 119 CO 0.08 0.96 -0.02 0.25 -1.72 0.00 0.00 179.24 178.79 1xgw h LEU 120 N 0.90 0.25 -2.31 1.55 5.85 -1.01 -2.94 115.31 117.60 1xgw h LEU 120 Ca 0.18 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1xgw h LEU 120 Cb 0.41 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1xgw h LEU 120 CO 0.01 0.54 0.00 0.03 -0.34 0.00 0.00 178.44 178.68 1xgw h ARG 121 N -0.04 0.00 -0.31 1.25 3.08 -0.69 -2.09 114.38 115.58 1xgw h ARG 121 Ca 0.04 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.17 1xgw h ARG 121 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1xgw h ARG 121 CO 0.01 0.00 0.34 0.66 -1.07 0.00 0.00 179.97 179.91 1xgw h SER 122 N 0.00 0.00 0.74 7.04 4.64 -1.25 -1.08 113.55 123.64 1xgw h SER 122 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xgw h SER 122 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1xgw h SER 122 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1xgw n LEU 123 N -3.74 0.11 0.33 5.97 4.77 -0.79 -3.30 117.00 120.35 1xgw n LEU 123 Ca 0.05 0.52 0.22 0.00 -0.03 0.00 0.00 56.01 56.77 1xgw n LEU 123 Cb 0.49 -0.50 1.15 0.00 -2.33 0.00 0.00 43.42 42.24 1xgw n LEU 123 CO 0.27 -0.20 1.16 -0.33 -1.33 0.00 0.00 177.39 176.96 1xgw h GLU 124 N 0.00 0.00 0.00 3.23 5.08 -1.42 -1.03 114.58 120.45 1xgw h GLU 124 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xgw h GLU 124 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1xgw h GLU 124 CO 0.00 0.00 -0.14 0.09 -1.00 0.00 0.00 179.01 177.96 1xgw n ASN 125 N -3.04 2.15 -4.75 1.42 3.02 -1.21 -4.83 115.26 108.02 1xgw n ASN 125 Ca -0.03 -3.30 -0.41 0.00 -0.03 0.00 0.00 54.58 50.81 1xgw n ASN 125 Cb 0.09 -0.45 -0.01 0.00 -0.61 0.00 0.00 39.78 38.79 1xgw n ASN 125 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xgw s TYR 126 N -2.94 2.75 -0.13 3.10 5.04 -0.39 -4.99 117.35 119.80 1xgw s TYR 126 Ca 0.33 0.81 0.02 0.00 -2.44 0.00 0.00 57.07 55.79 1xgw s TYR 126 Cb 0.30 -4.06 -0.00 0.00 0.35 0.00 0.00 41.96 38.55 1xgw s TYR 126 CO 0.00 -3.54 -0.18 -1.58 -1.34 0.00 0.00 175.55 168.91 1xgw s HIS 127 N -0.06 2.71 -0.28 4.97 5.65 -1.26 -4.63 115.29 122.39 1xgw s HIS 127 Ca 0.63 -0.94 -0.11 0.00 0.25 0.00 0.00 55.06 54.89 1xgw s HIS 127 Cb -0.48 -1.81 0.11 0.00 -1.18 0.00 0.00 32.58 29.23 1xgw s HIS 127 CO 0.49 -0.38 0.62 0.12 -0.65 0.00 0.00 174.74 174.93 1xgw s PHE 128 N 0.50 -1.21 -0.10 3.88 5.36 -1.26 -4.86 117.98 120.30 1xgw s PHE 128 Ca -0.12 2.16 0.03 0.00 -0.96 0.00 0.00 56.93 58.04 1xgw s PHE 128 Cb -0.16 0.70 -0.01 0.00 -0.34 0.00 0.00 43.02 43.20 1xgw s PHE 128 CO 0.05 -0.61 -0.18 0.08 -1.46 0.00 0.00 175.22 173.09 1xgw s VAL 129 N 2.60 2.59 0.95 3.12 1.01 -1.26 -0.62 120.40 128.79 1xgw s VAL 129 Ca -0.06 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1xgw s VAL 129 Cb -0.11 -2.03 0.22 0.00 0.00 0.00 0.00 36.38 34.46 1xgw s VAL 129 CO -0.18 0.55 1.29 -0.90 0.00 0.00 0.00 175.10 175.86 1xgw n ASP 130 N 3.29 0.11 0.28 3.32 5.75 0.99 -4.90 116.55 125.39 1xgw n ASP 130 Ca -0.18 -1.48 0.18 0.00 -0.01 0.00 0.00 54.79 53.30 1xgw n ASP 130 Cb 0.53 -0.99 0.73 0.00 -1.03 0.00 0.00 41.12 40.36 1xgw n ASP 130 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1xgw h GLU 131 N 0.00 0.00 -0.51 0.11 4.11 -2.01 -2.12 114.58 114.16 1xgw h GLU 131 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 1xgw h GLU 131 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1xgw h GLU 131 CO 0.30 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.10 1xgw n HIS 132 N -3.08 0.68 -0.71 2.06 8.25 -1.26 -4.93 115.22 116.23 1xgw n HIS 132 Ca 0.00 -0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 1xgw n HIS 132 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1xgw n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xgw n GLY 133 N 1.39 0.74 3.69 -1.41 0.00 -0.80 -5.04 105.19 103.75 1xgw n GLY 133 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1xgw n GLY 133 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xgw s LYS 134 N -0.29 4.40 -0.60 1.61 2.47 -1.26 -4.77 119.74 121.31 1xgw s LYS 134 Ca 0.00 1.46 -0.27 0.00 -1.56 0.00 0.00 55.97 55.60 1xgw s LYS 134 Cb 0.00 -3.55 0.01 0.00 -1.46 0.00 0.00 37.83 32.83 1xgw s LYS 134 CO 0.00 -0.36 1.48 0.34 0.16 0.00 0.00 175.35 176.98 1xgw s ASP 135 N 1.20 5.97 0.06 1.43 -1.08 -1.26 -0.01 116.67 122.98 1xgw s ASP 135 Ca 0.50 0.19 0.22 0.00 -0.52 0.00 0.00 52.55 52.95 1xgw s ASP 135 Cb -0.20 -2.54 -0.20 0.00 -1.46 0.00 0.00 42.92 38.51 1xgw s ASP 135 CO 0.19 -1.86 0.70 0.00 0.52 0.00 0.00 175.17 174.73 1xgw n GLN 136 N 8.88 0.64 0.29 4.34 1.13 0.21 -4.26 117.38 128.61 1xgw n GLN 136 Ca 0.12 -0.07 0.15 0.00 -1.94 0.00 0.00 57.00 55.27 1xgw n GLN 136 Cb 0.50 -1.65 0.90 0.00 0.11 0.00 0.00 30.24 30.10 1xgw n GLN 136 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1xgw h GLY 137 N 4.00 0.00 0.60 1.08 0.00 -1.55 -2.07 103.07 105.12 1xgw h GLY 137 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.44 1xgw h GLY 137 CO 0.00 0.00 0.59 1.19 0.00 0.00 0.00 176.54 178.32 1xgw h ILE 138 N 0.00 0.92 -0.45 2.60 6.09 -1.82 -2.32 117.51 122.53 1xgw h ILE 138 Ca -0.00 -0.30 0.04 0.00 -1.37 0.00 0.00 64.86 63.23 1xgw h ILE 138 Cb 0.08 -0.02 -0.04 0.00 0.47 0.00 0.00 36.82 37.31 1xgw h ILE 138 CO 0.00 0.16 0.22 0.78 -3.07 0.00 0.00 178.15 176.24 1xgw h ASN 139 N 0.86 0.30 -0.19 2.19 2.35 -1.66 -1.83 115.58 117.61 1xgw h ASN 139 Ca 0.45 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.19 1xgw h ASN 139 Cb 0.51 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1xgw h ASN 139 CO -0.21 0.22 -0.03 0.40 -1.65 0.00 0.00 177.43 176.16 1xgw h ILE 140 N 0.43 1.28 -0.41 2.81 2.04 -1.62 -2.22 117.51 119.83 1xgw h ILE 140 Ca 0.20 -0.97 0.06 0.00 1.00 0.00 0.00 64.86 65.15 1xgw h ILE 140 Cb 0.12 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 1xgw h ILE 140 CO -0.15 0.29 0.08 0.03 0.00 0.00 0.00 178.15 178.40 1xgw h ARG 141 N 0.07 0.20 -0.32 2.37 3.08 -1.31 0.50 114.38 118.98 1xgw h ARG 141 Ca 0.05 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1xgw h ARG 141 Cb 0.46 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1xgw h ARG 141 CO 0.02 0.13 0.01 1.96 -1.07 0.00 0.00 179.97 181.02 1xgw h GLN 142 N 0.21 0.55 -0.38 0.04 4.20 -1.35 -2.49 115.11 115.89 1xgw h GLN 142 Ca 0.20 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 1xgw h GLN 142 Cb 0.24 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1xgw h GLN 142 CO -0.26 0.68 -0.18 -0.22 -0.67 0.00 0.00 178.83 178.18 1xgw h LYS 143 N 0.36 0.80 -0.61 1.46 1.63 -1.25 -2.41 116.57 116.54 1xgw h LYS 143 Ca 0.09 -0.35 -0.08 0.00 -0.85 0.00 0.00 60.65 59.47 1xgw h LYS 143 Cb 0.42 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 1xgw h LYS 143 CO 0.01 0.97 0.08 -0.24 -3.45 0.00 0.00 179.45 176.83 1xgw h VAL 144 N 0.60 1.26 -0.80 2.00 3.04 -0.92 -1.51 116.25 119.91 1xgw h VAL 144 Ca 0.09 -1.03 0.04 0.00 -1.01 0.00 0.00 66.70 64.78 1xgw h VAL 144 Cb 0.73 0.73 -0.05 0.00 -2.01 0.00 0.00 31.29 30.69 1xgw h VAL 144 CO 0.05 0.38 0.50 0.11 -1.01 0.00 0.00 177.57 177.61 1xgw h LYS 145 N 0.93 0.93 -0.31 4.17 1.57 -1.35 0.39 116.57 122.90 1xgw h LYS 145 Ca 0.18 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1xgw h LYS 145 Cb 0.45 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1xgw h LYS 145 CO 0.02 0.62 0.13 1.49 -0.57 0.00 0.00 179.45 181.13 1xgw h GLU 146 N 0.96 0.46 -0.62 3.15 4.81 -1.27 -1.95 114.58 120.12 1xgw h GLU 146 Ca 0.33 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 1xgw h GLU 146 Cb 0.06 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1xgw h GLU 146 CO -0.13 0.46 0.05 1.25 -0.73 0.00 0.00 179.01 179.90 1xgw h LEU 147 N 0.36 1.03 -0.28 1.64 5.85 -0.70 -1.86 115.31 121.35 1xgw h LEU 147 Ca 0.10 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1xgw h LEU 147 Cb 0.17 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1xgw h LEU 147 CO -0.01 1.05 0.12 0.58 -0.34 0.00 0.00 178.44 179.85 1xgw h VAL 148 N 0.98 1.16 -0.60 1.05 2.07 -0.86 0.15 116.25 120.20 1xgw h VAL 148 Ca 0.18 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.29 1xgw h VAL 148 Cb 0.50 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1xgw h VAL 148 CO 0.02 0.16 0.31 -0.08 0.02 0.00 0.00 177.57 178.01 1xgw h GLU 149 N 0.31 0.56 0.23 1.57 4.81 -1.13 -2.01 114.58 118.92 1xgw h GLU 149 Ca 0.09 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1xgw h GLU 149 Cb 0.15 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xgw h GLU 149 CO -0.01 0.37 -0.11 0.35 -0.73 0.00 0.00 179.01 178.88 1xgw h PHE 150 N 0.58 -0.29 -0.89 0.92 3.57 -1.06 -3.05 116.94 116.72 1xgw h PHE 150 Ca 0.27 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.83 1xgw h PHE 150 Cb 0.19 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 1xgw h PHE 150 CO -0.10 -0.02 0.58 0.00 -2.23 0.00 0.00 178.31 176.54 1xgw h ALA 151 N 0.16 1.54 -0.00 2.41 0.00 -0.35 -0.79 119.26 122.23 1xgw h ALA 151 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xgw h ALA 151 Cb 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xgw h ALA 151 CO 0.05 0.33 -0.06 1.04 0.00 0.00 0.00 179.25 180.60 1xgw n GLN 152 N -4.49 0.76 -3.27 0.00 6.02 -0.79 -4.58 117.38 111.02 1xgw n GLN 152 Ca 0.13 -0.20 -0.46 0.00 -0.01 0.00 0.00 57.00 56.47 1xgw n GLN 152 Cb 0.21 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 1xgw n GLN 152 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1xgw s ASP 153 N -2.38 6.96 0.17 1.08 2.15 -0.30 -4.96 116.67 119.39 1xgw s ASP 153 Ca 0.33 -2.95 -0.14 0.00 0.43 0.00 0.00 52.55 50.21 1xgw s ASP 153 Cb 0.20 -2.24 0.10 0.00 -0.30 0.00 0.00 42.92 40.68 1xgw s ASP 153 CO 0.45 -0.53 1.79 -0.78 -0.17 0.00 0.00 175.17 175.92 1xgw h ASP 154 N 7.47 0.35 -0.29 -0.34 3.58 -1.81 -0.10 116.42 125.29 1xgw h ASP 154 Ca 0.15 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 1xgw h ASP 154 Cb 0.97 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1xgw h ASP 154 CO 0.90 0.25 0.08 0.44 -2.88 0.00 0.00 179.24 178.03 1xgw h ASP 155 N 0.47 0.43 -0.53 2.28 5.19 -1.95 0.86 116.42 123.17 1xgw h ASP 155 Ca 0.20 -0.22 0.03 0.00 -0.62 0.00 0.00 57.03 56.42 1xgw h ASP 155 Cb 0.09 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.45 1xgw h ASP 155 CO -0.13 0.53 0.31 -0.09 -3.12 0.00 0.00 179.24 176.74 1xgw h ARG 156 N 0.30 0.59 0.01 3.56 2.43 -1.88 2.25 114.38 121.64 1xgw h ARG 156 Ca 0.09 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1xgw h ARG 156 Cb 0.27 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1xgw h ARG 156 CO -0.00 0.39 -0.00 1.25 -1.51 0.00 0.00 179.97 180.09 1xgw h LEU 157 N 0.61 -0.01 -0.17 3.80 6.46 -0.82 0.35 115.31 125.53 1xgw h LEU 157 Ca 0.22 -0.25 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 1xgw h LEU 157 Cb 0.05 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 39.92 1xgw h LEU 157 CO -0.11 0.25 -0.28 0.03 -0.62 0.00 0.00 178.44 177.71 1xgw h ARG 158 N -0.27 -0.32 -0.29 1.25 2.47 0.14 0.13 114.38 117.49 1xgw h ARG 158 Ca -0.00 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1xgw h ARG 158 Cb 0.26 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 1xgw h ARG 158 CO 0.00 -0.21 0.18 0.93 0.56 0.00 0.00 179.97 181.43 1xgw h GLU 159 N -0.33 0.39 -0.40 0.04 4.39 0.38 -2.37 114.58 116.68 1xgw h GLU 159 Ca 0.11 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1xgw h GLU 159 Cb 0.50 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1xgw h GLU 159 CO -0.36 0.29 0.21 1.49 -1.16 0.00 0.00 179.01 179.49 1xgw h GLU 160 N 0.38 0.54 -0.21 2.33 4.57 -0.08 -3.00 114.58 119.11 1xgw h GLU 160 Ca 0.11 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1xgw h GLU 160 Cb -0.00 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1xgw h GLU 160 CO -0.02 0.41 0.04 0.00 -1.18 0.00 0.00 179.01 178.26 1xgw h ARG 161 N 0.55 0.35 -0.80 1.92 3.08 -0.33 -3.29 114.38 115.87 1xgw h ARG 161 Ca 0.14 -0.09 0.12 0.00 0.07 0.00 0.00 59.98 60.23 1xgw h ARG 161 Cb 0.02 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 29.95 1xgw h ARG 161 CO -0.02 0.49 0.40 1.57 -1.07 0.00 0.00 179.97 181.34 1xgw h LYS 162 N 0.16 0.60 -0.98 0.04 2.10 -1.29 -2.44 116.57 114.76 1xgw h LYS 162 Ca 0.07 -0.04 0.14 0.00 -2.00 0.00 0.00 60.65 58.82 1xgw h LYS 162 Cb 0.30 -0.14 -0.15 0.00 -0.90 0.00 0.00 32.23 31.35 1xgw h LYS 162 CO 0.00 0.40 -0.42 1.63 -2.00 0.00 0.00 179.45 179.07 1xgw n LYS 163 N -4.87 -0.26 0.00 0.07 5.02 -1.24 -5.16 118.16 111.72 1xgw n LYS 163 Ca 0.15 1.50 0.13 0.00 -2.02 0.00 0.00 58.31 58.07 1xgw n LYS 163 Cb 0.37 -2.23 0.31 0.00 -0.02 0.00 0.00 35.03 33.45 1xgw n LYS 163 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88