#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5l h GLY 24 N 0.00 0.00 0.83 8.31 0.00 -2.06 -2.98 103.07 107.18 3g5l h GLY 24 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3g5l h GLY 24 CO 0.00 0.00 -0.11 1.41 0.00 0.00 0.00 176.54 177.84 3g5l h LEU 25 N 0.00 0.49 0.00 3.11 3.38 -2.05 -2.99 115.31 117.24 3g5l h LEU 25 Ca -0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3g5l h LEU 25 Cb 1.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3g5l h LEU 25 CO 0.01 0.79 -0.31 0.29 0.09 0.00 0.00 178.44 179.31 3g5l n LYS 26 N -4.52 0.15 0.17 1.13 4.76 -1.25 -2.98 118.16 115.62 3g5l n LYS 26 Ca -0.04 0.08 0.04 0.00 -2.87 0.00 0.00 58.31 55.51 3g5l n LYS 26 Cb 0.34 -1.63 0.21 0.00 -1.84 0.00 0.00 35.03 32.11 3g5l n LYS 26 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3g5l h ALA 27 N 2.73 0.85 0.00 7.82 0.00 -1.52 -2.36 119.26 126.78 3g5l h ALA 27 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 3g5l h ALA 27 Cb 0.63 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3g5l h ALA 27 CO 0.00 0.56 -0.78 0.00 0.00 0.00 0.00 179.25 179.03 3g5l h ALA 28 N 1.55 0.58 0.00 0.00 0.00 -1.42 -3.01 119.26 116.97 3g5l h ALA 28 Ca -0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 3g5l h ALA 28 Cb 1.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3g5l h ALA 28 CO 0.06 0.98 -0.45 0.78 0.00 0.00 0.00 179.25 180.62 3g5l h GLY 29 N 2.80 0.00 0.43 0.00 0.00 -1.42 -2.70 103.07 102.17 3g5l h GLY 29 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3g5l h GLY 29 CO 0.10 0.00 -0.06 -2.09 0.00 0.00 0.00 176.54 174.50 3g5l h GLU 30 N 0.00 0.07 -0.79 4.80 4.22 -1.46 -3.31 114.58 118.10 3g5l h GLU 30 Ca -0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 3g5l h GLU 30 Cb 1.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 3g5l h GLU 30 CO 0.06 0.69 0.48 2.35 -2.18 0.00 0.00 179.01 180.41 3g5l h TRP 31 N -0.54 1.04 -0.79 0.92 2.91 -1.52 -0.97 115.95 117.00 3g5l h TRP 31 Ca -0.00 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.03 3g5l h TRP 31 Cb 0.69 -0.34 -0.04 0.00 -0.51 0.00 0.00 29.16 28.96 3g5l h TRP 31 CO 0.14 0.69 0.52 1.25 -1.03 0.00 0.00 178.44 180.01 3g5l h HIS 32 N 1.09 0.99 0.07 2.65 2.76 -1.60 0.11 115.15 121.23 3g5l h HIS 32 Ca 0.29 0.02 -0.26 0.00 -2.20 0.00 0.00 60.37 58.22 3g5l h HIS 32 Cb -0.05 -0.34 0.01 0.00 1.55 0.00 0.00 27.41 28.59 3g5l h HIS 32 CO 0.00 0.63 -1.11 0.93 -1.30 0.00 0.00 177.93 177.08 3g5l h GLU 33 N 1.07 0.46 -0.65 5.26 4.39 -1.62 -3.34 114.58 120.15 3g5l h GLU 33 Ca 0.29 -0.59 -0.07 0.00 0.34 0.00 0.00 59.36 59.32 3g5l h GLU 33 Cb -0.12 0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 3g5l h GLU 33 CO -0.06 1.23 0.12 1.25 -1.16 0.00 0.00 179.01 180.39 3g5l h LEU 34 N 0.22 1.01 -1.14 1.33 5.85 -0.81 -2.91 115.31 118.85 3g5l h LEU 34 Ca -0.13 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.46 3g5l h LEU 34 Cb 1.78 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.47 3g5l h LEU 34 CO 0.20 0.99 0.60 0.50 -0.34 0.00 0.00 178.44 180.39 3g5l h LYS 35 N 1.00 0.91 0.00 1.25 3.11 -0.91 -1.45 116.57 120.47 3g5l h LYS 35 Ca 0.20 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 3g5l h LYS 35 Cb 0.41 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 3g5l h LYS 35 CO 0.01 0.60 0.00 1.63 -2.81 0.00 0.00 179.45 178.88 3g5l n LYS 36 N -4.54 0.15 0.11 1.90 5.02 -1.10 -2.65 118.16 117.04 3g5l n LYS 36 Ca 0.16 0.22 0.10 0.00 -2.02 0.00 0.00 58.31 56.77 3g5l n LYS 36 Cb 0.31 -1.71 0.01 0.00 -0.02 0.00 0.00 35.03 33.62 3g5l n LYS 36 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3g5l h MET 37 N 0.00 0.00 -6.81 1.97 2.86 -1.24 -3.48 114.93 108.22 3g5l h MET 37 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 3g5l h MET 37 Cb 0.52 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.22 3g5l h MET 37 CO 0.00 0.06 0.58 -0.51 1.06 0.00 0.00 176.91 178.10 3g5l s LEU 38 N -5.56 4.47 0.85 1.22 1.43 -1.08 -5.03 118.68 114.98 3g5l s LEU 38 Ca 0.00 2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 3g5l s LEU 38 Cb 0.09 -3.63 0.13 0.00 0.03 0.00 0.00 46.19 42.81 3g5l s LEU 38 CO 0.78 -0.38 1.20 -2.16 0.23 0.00 0.00 176.35 176.02 3g5l s PRO 39 N -1.33 1.39 0.29 1.29 0.04 -1.26 -5.02 135.00 130.41 3g5l s PRO 39 Ca 0.49 -0.27 -0.29 0.00 0.04 0.00 0.00 61.00 60.96 3g5l s PRO 39 Cb -0.36 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 3g5l s PRO 39 CO 0.45 -1.89 1.45 0.34 0.04 0.00 0.00 177.00 177.39 3g5l s ASP 40 N -4.72 6.58 0.00 6.66 2.15 -1.26 -4.94 116.67 121.14 3g5l s ASP 40 Ca 0.67 2.78 0.23 0.00 0.43 0.00 0.00 52.55 56.66 3g5l s ASP 40 Cb -0.07 -2.64 0.02 0.00 -0.30 0.00 0.00 42.92 39.93 3g5l s ASP 40 CO 0.50 -0.73 1.10 0.49 -0.17 0.00 0.00 175.17 176.36 3g5l n PHE 41 N 1.67 0.00 -1.64 -5.34 3.72 -1.26 -4.89 117.46 109.73 3g5l n PHE 41 Ca 0.05 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.98 3g5l n PHE 41 Cb 0.40 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.88 3g5l n PHE 41 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3g5l n ASN 42 N -0.29 3.42 -2.05 4.37 5.15 -1.12 -1.78 115.26 122.96 3g5l n ASN 42 Ca 0.09 0.76 -0.20 0.00 -0.60 0.00 0.00 54.58 54.63 3g5l n ASN 42 Cb 0.44 -1.42 -0.03 0.00 -0.53 0.00 0.00 39.78 38.23 3g5l n ASN 42 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g5l n GLN 43 N 7.39 -1.53 -3.60 1.20 6.02 0.24 -4.90 117.38 122.20 3g5l n GLN 43 Ca 0.26 1.04 -0.32 0.00 -0.01 0.00 0.00 57.00 57.97 3g5l n GLN 43 Cb 0.34 -5.57 -0.05 0.00 1.02 0.00 0.00 30.24 25.97 3g5l n GLN 43 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3g5l s LYS 44 N -4.59 3.67 -0.23 -1.09 3.01 -0.73 -4.54 119.74 115.23 3g5l s LYS 44 Ca 0.00 0.01 -0.07 0.00 -1.01 0.00 0.00 55.97 54.90 3g5l s LYS 44 Cb 0.00 -2.79 -0.03 0.00 -1.01 0.00 0.00 37.83 34.00 3g5l s LYS 44 CO 0.00 0.42 0.07 0.99 0.51 0.00 0.00 175.35 177.34 3g5l s THR 45 N -1.71 4.41 -0.03 2.17 2.01 -1.26 -1.29 115.64 119.95 3g5l s THR 45 Ca 0.43 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.35 3g5l s THR 45 Cb -0.12 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 3g5l s THR 45 CO 0.24 0.37 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.61 3g5l s VAL 46 N 1.30 2.23 -0.11 3.82 1.01 0.10 -0.29 120.40 128.47 3g5l s VAL 46 Ca 0.05 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3g5l s VAL 46 Cb -0.15 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.45 3g5l s VAL 46 CO 0.03 0.58 -0.20 -0.22 0.00 0.00 0.00 175.10 175.30 3g5l s LEU 47 N -0.61 1.96 -0.30 3.92 2.96 -0.31 -1.16 118.68 125.15 3g5l s LEU 47 Ca 0.10 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3g5l s LEU 47 Cb -0.10 -1.28 0.06 0.00 0.50 0.00 0.00 46.19 45.37 3g5l s LEU 47 CO -0.01 0.09 -0.01 -0.62 -1.32 0.00 0.00 176.35 174.48 3g5l s ASP 48 N 0.67 4.81 -0.48 3.68 2.15 0.10 0.02 116.67 127.61 3g5l s ASP 48 Ca -0.12 -1.35 -0.22 0.00 0.43 0.00 0.00 52.55 51.30 3g5l s ASP 48 Cb -0.16 -1.68 0.04 0.00 -0.30 0.00 0.00 42.92 40.81 3g5l s ASP 48 CO 0.03 -0.26 0.73 -0.76 -0.17 0.00 0.00 175.17 174.74 3g5l s LEU 49 N 1.21 4.48 0.00 -1.34 1.43 0.44 -1.31 118.68 123.59 3g5l s LEU 49 Ca -0.05 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3g5l s LEU 49 Cb -0.20 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.29 3g5l s LEU 49 CO -0.02 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.24 3g5l n GLY 50 N 5.08 0.88 0.23 -3.19 0.00 0.56 -4.16 105.19 104.59 3g5l n GLY 50 Ca -0.01 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.74 3g5l n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5l n GLY 52 N 0.66 4.07 0.10 0.00 0.00 -1.26 -1.42 105.19 107.34 3g5l n GLY 52 Ca 0.02 0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.14 3g5l n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3g5l n PHE 53 N 14.00 0.07 -1.21 1.61 0.99 -1.26 -4.16 117.46 127.50 3g5l n PHE 53 Ca 0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 57.45 57.37 3g5l n PHE 53 Cb 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.46 3g5l n PHE 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3g5l n GLY 54 N 0.61 0.67 0.27 1.37 0.00 -0.51 -4.18 105.19 103.42 3g5l n GLY 54 Ca 0.03 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.21 3g5l n GLY 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3g5l h TRP 55 N 0.00 0.59 -0.05 1.61 2.91 -1.91 -1.14 115.95 117.97 3g5l h TRP 55 Ca -0.09 0.03 -0.13 0.00 1.13 0.00 0.00 58.89 59.83 3g5l h TRP 55 Cb 0.36 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 3g5l h TRP 55 CO 0.12 0.19 -0.58 0.45 -1.03 0.00 0.00 178.44 177.59 3g5l h HIS 56 N 0.56 0.18 -0.33 2.65 -0.00 -1.93 -1.77 115.15 114.51 3g5l h HIS 56 Ca 0.36 -0.07 -0.13 0.00 -0.00 0.00 0.00 60.37 60.53 3g5l h HIS 56 Cb 0.41 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 3g5l h HIS 56 CO -0.12 0.69 -0.31 0.00 -0.00 0.00 0.00 177.93 178.19 3g5l h ILE 58 N 0.57 1.10 -0.52 0.00 2.04 -1.19 -1.68 117.51 117.84 3g5l h ILE 58 Ca 0.06 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.67 3g5l h ILE 58 Cb 0.89 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 3g5l h ILE 58 CO 0.08 0.08 0.22 0.22 0.00 0.00 0.00 178.15 178.75 3g5l h TYR 59 N -0.10 0.40 -0.35 1.37 3.20 -1.30 -0.92 116.97 119.27 3g5l h TYR 59 Ca 0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3g5l h TYR 59 Cb 0.13 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3g5l h TYR 59 CO -0.03 0.16 0.19 0.00 -1.64 0.00 0.00 178.16 176.84 3g5l h ALA 60 N 1.31 0.45 0.04 1.82 0.00 -1.20 -1.86 119.26 119.82 3g5l h ALA 60 Ca 0.24 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3g5l h ALA 60 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3g5l h ALA 60 CO -0.21 -0.02 -0.08 0.00 0.00 0.00 0.00 179.25 178.94 3g5l h ALA 61 N 1.05 -0.12 0.00 0.00 0.00 -0.78 -1.63 119.26 117.78 3g5l h ALA 61 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3g5l h ALA 61 Cb 0.07 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g5l h ALA 61 CO -0.02 -0.59 0.00 -0.85 0.00 0.00 0.00 179.25 177.79 3g5l n GLU 62 N -5.20 0.31 -0.56 0.00 0.28 -0.40 -1.27 120.64 113.80 3g5l n GLU 62 Ca -0.06 0.06 0.08 0.00 -0.16 0.00 0.00 57.16 57.08 3g5l n GLU 62 Cb 0.13 -1.50 0.32 0.00 1.43 0.00 0.00 31.44 31.82 3g5l n GLU 62 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3g5l n HIS 63 N -1.31 1.32 0.00 -1.84 8.25 -0.71 -4.98 115.22 115.95 3g5l n HIS 63 Ca 0.11 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 3g5l n HIS 63 Cb 0.21 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.05 3g5l n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g5l n GLY 64 N 0.62 1.05 3.77 -1.41 0.00 -0.39 -2.81 105.19 106.01 3g5l n GLY 64 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3g5l n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5l s ALA 65 N -2.00 3.61 -0.12 4.61 0.00 -0.66 -0.59 121.76 126.62 3g5l s ALA 65 Ca 0.00 1.56 0.15 0.00 0.00 0.00 0.00 51.96 53.66 3g5l s ALA 65 Cb 0.00 -3.61 0.08 0.00 0.00 0.00 0.00 23.12 19.59 3g5l s ALA 65 CO 0.00 -1.02 1.45 1.57 0.00 0.00 0.00 175.76 177.76 3g5l h LYS 66 N 3.51 0.00 -2.17 0.00 2.10 -1.41 -3.45 116.57 115.15 3g5l h LYS 66 Ca -0.50 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3g5l h LYS 66 Cb 1.23 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.34 3g5l h LYS 66 CO 0.68 0.53 -0.11 0.21 -2.00 0.00 0.00 179.45 178.76 3g5l s LYS 67 N -2.97 0.58 -0.08 0.07 2.47 -1.19 -4.84 119.74 113.78 3g5l s LYS 67 Ca 0.04 1.18 0.03 0.00 -1.56 0.00 0.00 55.97 55.66 3g5l s LYS 67 Cb 0.08 0.30 0.01 0.00 -1.46 0.00 0.00 37.83 36.76 3g5l s LYS 67 CO 0.75 -0.17 -0.17 0.08 0.16 0.00 0.00 175.35 175.99 3g5l s VAL 68 N 1.99 1.53 -0.25 4.02 1.01 -0.96 -0.72 120.40 127.02 3g5l s VAL 68 Ca -0.08 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3g5l s VAL 68 Cb -0.08 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.94 3g5l s VAL 68 CO -0.18 0.44 0.01 -0.22 0.00 0.00 0.00 175.10 175.15 3g5l s LEU 69 N 0.57 3.33 -0.22 3.92 2.96 -0.31 -1.21 118.68 127.72 3g5l s LEU 69 Ca -0.15 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.07 3g5l s LEU 69 Cb -0.17 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 3g5l s LEU 69 CO 0.05 -0.10 0.15 -0.83 -1.32 0.00 0.00 176.35 174.30 3g5l s GLY 70 N 1.47 2.01 -0.13 7.98 0.00 -0.37 -0.72 107.32 117.55 3g5l s GLY 70 Ca 0.04 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.96 3g5l s GLY 70 CO -0.01 0.29 -0.17 -0.42 0.00 0.00 0.00 173.10 172.79 3g5l s ILE 71 N 0.77 2.61 0.06 0.90 -1.09 -0.42 -1.61 121.20 122.42 3g5l s ILE 71 Ca 0.08 -0.81 -0.13 0.00 -2.23 0.00 0.00 60.65 57.55 3g5l s ILE 71 Cb -0.12 -2.07 0.02 0.00 -1.58 0.00 0.00 42.46 38.70 3g5l s ILE 71 CO 0.02 0.53 0.31 -0.62 -1.23 0.00 0.00 174.94 173.94 3g5l s ASP 72 N 0.54 -0.11 0.07 3.58 2.15 -1.11 -0.32 116.67 121.46 3g5l s ASP 72 Ca -0.11 -0.28 -0.01 0.00 0.43 0.00 0.00 52.55 52.58 3g5l s ASP 72 Cb -0.16 0.38 -0.27 0.00 -0.30 0.00 0.00 42.92 42.57 3g5l s ASP 72 CO 0.04 -0.67 1.10 0.25 -0.17 0.00 0.00 175.17 175.72 3g5l h LEU 73 N 3.00 0.32 -9.09 -1.34 5.85 -1.88 -1.68 115.31 110.49 3g5l h LEU 73 Ca -0.32 -0.36 -0.58 0.00 0.84 0.00 0.00 57.88 57.45 3g5l h LEU 73 Cb 1.21 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 3g5l h LEU 73 CO 0.48 1.29 0.77 -0.55 -0.34 0.00 0.00 178.44 180.09 3g5l s SER 74 N -6.99 7.10 0.16 1.25 0.15 -1.26 -4.77 113.70 109.34 3g5l s SER 74 Ca -0.04 1.37 -0.11 0.00 0.70 0.00 0.00 55.95 57.88 3g5l s SER 74 Cb 0.08 -2.54 0.04 0.00 -1.71 0.00 0.00 66.02 61.89 3g5l s SER 74 CO 0.86 -0.65 1.62 -0.08 1.20 0.00 0.00 173.24 176.19 3g5l h GLU 75 N 7.44 0.95 -0.56 5.44 4.57 -2.00 -2.60 114.58 127.83 3g5l h GLU 75 Ca -0.20 -0.30 0.07 0.00 -1.18 0.00 0.00 59.36 57.75 3g5l h GLU 75 Cb 1.07 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.51 3g5l h GLU 75 CO 0.97 0.96 0.24 -0.09 -1.18 0.00 0.00 179.01 179.91 3g5l h ARG 76 N 0.83 0.44 -0.38 1.92 2.43 -2.00 -1.64 114.38 115.99 3g5l h ARG 76 Ca 0.15 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.18 3g5l h ARG 76 Cb 0.53 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3g5l h ARG 76 CO 0.03 0.29 -0.23 0.52 -1.51 0.00 0.00 179.97 179.07 3g5l h MET 77 N 0.45 0.75 -0.04 0.20 2.86 -1.86 -2.85 114.93 114.43 3g5l h MET 77 Ca 0.27 -0.30 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 3g5l h MET 77 Cb 0.26 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3g5l h MET 77 CO -0.23 0.91 -0.60 -0.07 1.06 0.00 0.00 176.91 177.97 3g5l h LEU 78 N 0.65 0.17 -0.50 1.22 3.38 -1.17 0.18 115.31 119.25 3g5l h LEU 78 Ca 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3g5l h LEU 78 Cb 0.73 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3g5l h LEU 78 CO 0.06 0.74 0.25 0.74 0.09 0.00 0.00 178.44 180.31 3g5l h THR 79 N 0.11 1.19 -0.27 0.22 2.02 -1.27 -0.11 112.91 114.80 3g5l h THR 79 Ca -0.01 -0.52 -0.12 0.00 0.77 0.00 0.00 66.41 66.53 3g5l h THR 79 Cb 1.09 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3g5l h THR 79 CO 0.09 0.21 -0.32 -0.08 0.37 0.00 0.00 175.52 175.78 3g5l h GLU 80 N 0.67 0.58 0.20 6.66 4.57 -1.31 -2.33 114.58 123.62 3g5l h GLU 80 Ca 0.17 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3g5l h GLU 80 Cb 0.10 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3g5l h GLU 80 CO -0.02 0.83 -0.10 0.00 -1.18 0.00 0.00 179.01 178.54 3g5l h ALA 81 N 1.15 -0.27 -0.09 2.92 0.00 -0.72 -1.95 119.26 120.30 3g5l h ALA 81 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3g5l h ALA 81 Cb 0.80 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3g5l h ALA 81 CO 0.07 -0.65 -0.07 0.87 0.00 0.00 0.00 179.25 179.47 3g5l h LYS 82 N -0.28 0.13 0.00 0.00 1.57 -0.98 -1.12 116.57 115.89 3g5l h LYS 82 Ca -0.03 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 3g5l h LYS 82 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3g5l h LYS 82 CO 0.05 0.21 -0.37 0.07 -0.57 0.00 0.00 179.45 178.84 3g5l h ARG 83 N 0.13 0.00 0.00 3.15 0.11 -1.27 -3.21 114.38 113.28 3g5l h ARG 83 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3g5l h ARG 83 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 3g5l h ARG 83 CO 0.01 0.37 -0.85 1.63 0.10 0.00 0.00 179.97 181.23 3g5l n LYS 84 N -3.26 0.38 -3.60 0.08 4.76 -0.74 -4.88 118.16 110.89 3g5l n LYS 84 Ca 0.02 0.07 -0.37 0.00 -2.87 0.00 0.00 58.31 55.16 3g5l n LYS 84 Cb 0.62 -1.70 -0.09 0.00 -1.84 0.00 0.00 35.03 32.03 3g5l n LYS 84 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3g5l s THR 85 N -3.23 5.32 -0.21 -0.18 2.01 -0.50 -4.97 115.64 113.88 3g5l s THR 85 Ca 0.04 0.29 0.14 0.00 0.31 0.00 0.00 61.69 62.47 3g5l s THR 85 Cb 0.13 -3.55 -0.23 0.00 0.01 0.00 0.00 72.50 68.86 3g5l s THR 85 CO 0.76 0.32 0.00 0.41 -0.69 0.00 0.00 174.62 175.43 3g5l n THR 86 N 4.31 1.40 -1.78 -0.82 -1.04 -1.26 -4.90 114.28 110.19 3g5l n THR 86 Ca -0.14 -0.79 -0.42 0.00 -2.04 0.00 0.00 64.05 60.67 3g5l n THR 86 Cb 0.52 -0.67 -0.02 0.00 -1.82 0.00 0.00 70.33 68.33 3g5l n THR 86 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3g5l s SER 87 N -5.70 6.40 0.00 8.00 0.15 -1.26 -4.90 113.70 116.40 3g5l s SER 87 Ca -0.15 2.89 0.24 0.00 0.70 0.00 0.00 55.95 59.63 3g5l s SER 87 Cb 0.07 -2.62 1.22 0.00 -1.71 0.00 0.00 66.02 62.97 3g5l s SER 87 CO 0.77 -0.92 1.81 -0.81 1.20 0.00 0.00 173.24 175.29 3g5l n PRO 88 N 2.84 0.33 0.11 5.44 -0.04 -1.26 -3.32 135.00 139.09 3g5l n PRO 88 Ca 0.11 0.06 -0.03 0.00 -0.04 0.00 0.00 63.50 63.59 3g5l n PRO 88 Cb 0.37 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.48 3g5l n PRO 88 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3g5l h VAL 89 N 0.00 1.39 -3.34 0.52 2.07 -1.90 -3.45 116.25 111.55 3g5l h VAL 89 Ca 0.00 -1.96 -0.58 0.00 0.82 0.00 0.00 66.70 64.98 3g5l h VAL 89 Cb 0.24 2.01 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 3g5l h VAL 89 CO 0.00 0.57 -0.11 -0.69 0.02 0.00 0.00 177.57 177.36 3g5l s VAL 90 N -3.76 5.17 0.18 2.57 1.01 -1.21 -2.25 120.40 122.12 3g5l s VAL 90 Ca -0.03 0.99 0.11 0.00 0.00 0.00 0.00 61.98 63.05 3g5l s VAL 90 Cb 0.12 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3g5l s VAL 90 CO 0.78 0.31 -0.24 0.00 0.00 0.00 0.00 175.10 175.95 3g5l s TYR 92 N -1.60 1.86 -0.02 0.00 2.02 -1.26 -1.24 117.35 117.11 3g5l s TYR 92 Ca 0.20 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3g5l s TYR 92 Cb -0.08 -1.09 0.03 0.00 -0.40 0.00 0.00 41.96 40.41 3g5l s TYR 92 CO 0.09 0.12 0.04 -1.21 -1.57 0.00 0.00 175.55 173.01 3g5l s GLU 93 N -1.31 -0.02 -0.31 -0.62 2.02 -0.63 -4.98 118.70 112.85 3g5l s GLU 93 Ca 0.08 0.18 -0.29 0.00 0.02 0.00 0.00 54.97 54.96 3g5l s GLU 93 Cb -0.09 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 33.93 3g5l s GLU 93 CO 0.02 -0.15 1.33 -1.14 0.02 0.00 0.00 175.26 175.35 3g5l s GLN 94 N 0.96 3.86 -0.25 1.61 0.74 -1.26 -2.75 119.66 122.58 3g5l s GLN 94 Ca -0.08 1.22 -0.26 0.00 0.05 0.00 0.00 55.36 56.29 3g5l s GLN 94 Cb -0.11 -3.91 0.10 0.00 1.10 0.00 0.00 33.01 30.19 3g5l s GLN 94 CO -0.03 -1.19 0.90 0.21 -0.55 0.00 0.00 175.29 174.63 3g5l s LYS 95 N 4.30 0.66 0.45 1.67 2.20 -0.63 -4.97 119.74 123.42 3g5l s LYS 95 Ca 0.58 0.67 -0.23 0.00 -0.36 0.00 0.00 55.97 56.63 3g5l s LYS 95 Cb -0.17 0.32 -0.08 0.00 -1.51 0.00 0.00 37.83 36.39 3g5l s LYS 95 CO 0.25 -0.10 1.08 0.00 -0.36 0.00 0.00 175.35 176.22 3g5l s ALA 96 N 0.07 2.98 0.37 3.13 0.00 -1.26 -3.58 121.76 123.46 3g5l s ALA 96 Ca 0.01 0.75 0.08 0.00 0.00 0.00 0.00 51.96 52.80 3g5l s ALA 96 Cb -0.04 -3.30 0.72 0.00 0.00 0.00 0.00 23.12 20.49 3g5l s ALA 96 CO -0.02 -0.40 1.90 0.82 0.00 0.00 0.00 175.76 178.06 3g5l h ILE 97 N 1.89 1.18 0.00 0.00 2.04 -1.96 -1.20 117.51 119.46 3g5l h ILE 97 Ca -0.49 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 64.58 3g5l h ILE 97 Cb 1.23 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 3g5l h ILE 97 CO 0.61 0.25 0.00 -1.84 0.00 0.00 0.00 178.15 177.17 3g5l n GLU 98 N -4.27 0.13 -0.33 2.37 0.00 -1.26 -3.16 120.64 114.12 3g5l n GLU 98 Ca -0.00 0.35 0.08 0.00 0.00 0.00 0.00 57.16 57.59 3g5l n GLU 98 Cb 0.26 -1.74 0.24 0.00 0.00 0.00 0.00 31.44 30.20 3g5l n GLU 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3g5l n ASP 99 N -1.98 3.59 -4.77 -1.84 8.00 -0.46 -5.02 116.55 114.07 3g5l n ASP 99 Ca 0.03 -2.23 -0.40 0.00 0.71 0.00 0.00 54.79 52.90 3g5l n ASP 99 Cb 0.22 -0.39 0.01 0.00 -0.02 0.00 0.00 41.12 40.95 3g5l n ASP 99 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3g5l s ILE 100 N -1.41 2.16 0.30 0.53 -4.36 -1.19 -4.92 121.20 112.30 3g5l s ILE 100 Ca 0.36 0.14 -0.29 0.00 -0.26 0.00 0.00 60.65 60.59 3g5l s ILE 100 Cb 0.22 -3.08 -0.10 0.00 1.25 0.00 0.00 42.46 40.75 3g5l s ILE 100 CO 0.20 0.02 1.25 0.00 0.24 0.00 0.00 174.94 176.65 3g5l s ALA 101 N -1.22 3.48 -0.34 2.27 0.00 -1.26 -4.97 121.76 119.72 3g5l s ALA 101 Ca 0.61 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 53.42 3g5l s ALA 101 Cb -0.43 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 3g5l s ALA 101 CO 0.55 -0.50 1.57 0.42 0.00 0.00 0.00 175.76 177.80 3g5l s ILE 102 N -0.93 3.74 -0.45 0.00 1.09 -1.26 -4.94 121.20 118.44 3g5l s ILE 102 Ca 0.49 0.78 0.02 0.00 -1.10 0.00 0.00 60.65 60.84 3g5l s ILE 102 Cb -0.37 -3.93 0.15 0.00 -1.06 0.00 0.00 42.46 37.25 3g5l s ILE 102 CO 0.47 -0.54 0.29 -1.83 -0.10 0.00 0.00 174.94 173.23 3g5l s GLU 103 N 5.08 1.24 0.17 2.79 -1.05 -1.26 -5.11 118.70 120.55 3g5l s GLU 103 Ca 0.69 -2.08 -0.34 0.00 -0.15 0.00 0.00 54.97 53.09 3g5l s GLU 103 Cb -0.19 -2.12 -0.14 0.00 -0.44 0.00 0.00 34.13 31.24 3g5l s GLU 103 CO 0.32 -1.23 1.59 -2.30 0.95 0.00 0.00 175.26 174.59 3g5l n PRO 104 N 3.29 2.23 -1.92 -4.83 -0.02 -1.26 -2.57 135.00 129.93 3g5l n PRO 104 Ca 0.15 0.80 -0.20 0.00 -2.02 0.00 0.00 63.50 62.23 3g5l n PRO 104 Cb 0.38 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.22 3g5l n PRO 104 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3g5l n ASP 105 N 3.43 -5.53 0.06 2.55 8.00 -0.36 -4.88 116.55 119.82 3g5l n ASP 105 Ca 0.17 0.30 -0.01 0.00 0.71 0.00 0.00 54.79 55.95 3g5l n ASP 105 Cb 0.30 -4.77 -0.07 0.00 -0.02 0.00 0.00 41.12 36.55 3g5l n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g5l h ALA 106 N 0.44 0.64 -3.29 2.24 0.00 -0.84 -3.34 119.26 115.10 3g5l h ALA 106 Ca -0.44 -0.84 -0.67 0.00 0.00 0.00 0.00 54.91 52.97 3g5l h ALA 106 Cb 1.34 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.16 3g5l h ALA 106 CO 0.59 0.97 -0.62 0.71 0.00 0.00 0.00 179.25 180.90 3g5l s TYR 107 N -2.87 3.14 -0.04 0.00 2.02 0.24 -4.78 117.35 115.05 3g5l s TYR 107 Ca -0.01 0.13 0.13 0.00 -0.37 0.00 0.00 57.07 56.95 3g5l s TYR 107 Cb 0.08 -1.70 -0.22 0.00 -0.40 0.00 0.00 41.96 39.73 3g5l s TYR 107 CO 0.80 0.48 0.73 -0.91 -1.57 0.00 0.00 175.55 175.08 3g5l h ASN 108 N 4.40 0.00 -3.65 2.29 4.21 -0.97 -0.18 115.58 121.69 3g5l h ASN 108 Ca -0.49 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 56.85 3g5l h ASN 108 Cb 1.18 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 38.11 3g5l h ASN 108 CO 0.58 0.94 -0.42 0.54 -1.29 0.00 0.00 177.43 177.79 3g5l s VAL 109 N -2.65 -0.01 -0.14 2.81 0.11 -1.02 -0.10 120.40 119.40 3g5l s VAL 109 Ca -0.04 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 3g5l s VAL 109 Cb 0.08 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 3g5l s VAL 109 CO 0.82 0.02 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.71 3g5l s VAL 110 N 0.56 2.08 0.16 2.04 1.01 0.72 -1.16 120.40 125.82 3g5l s VAL 110 Ca -0.03 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.07 3g5l s VAL 110 Cb -0.05 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3g5l s VAL 110 CO -0.03 0.55 -0.13 -0.76 0.00 0.00 0.00 175.10 174.73 3g5l s LEU 111 N 0.84 2.87 -0.29 3.92 1.43 0.10 -1.49 118.68 126.06 3g5l s LEU 111 Ca -0.06 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 3g5l s LEU 111 Cb -0.15 -1.60 0.17 0.00 0.03 0.00 0.00 46.19 44.64 3g5l s LEU 111 CO -0.02 0.13 0.57 -0.55 0.23 0.00 0.00 176.35 176.70 3g5l s SER 112 N -2.63 -1.08 -0.33 2.29 0.15 -0.85 -0.42 113.70 110.83 3g5l s SER 112 Ca 0.23 0.96 -0.10 0.00 0.70 0.00 0.00 55.95 57.74 3g5l s SER 112 Cb -0.09 2.03 0.00 0.00 -1.71 0.00 0.00 66.02 66.25 3g5l s SER 112 CO 0.13 -0.25 0.17 -0.44 1.20 0.00 0.00 173.24 174.05 3g5l s SER 113 N 2.82 5.60 -1.31 5.45 0.01 -1.26 -1.55 113.70 123.46 3g5l s SER 113 Ca 0.13 -0.67 -0.01 0.00 1.31 0.00 0.00 55.95 56.72 3g5l s SER 113 Cb -0.14 -2.01 -0.00 0.00 0.21 0.00 0.00 66.02 64.08 3g5l s SER 113 CO -0.20 -0.25 0.68 0.18 0.41 0.00 0.00 173.24 174.06 3g5l n LEU 114 N 4.98 -3.06 0.00 2.44 4.77 -0.59 -4.90 117.00 120.64 3g5l n LEU 114 Ca -0.13 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 3g5l n LEU 114 Cb 0.48 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.94 3g5l n LEU 114 CO 0.35 0.41 -0.23 0.00 -1.33 0.00 0.00 177.39 176.58 3g5l n ALA 115 N -4.27 2.10 0.31 -1.18 0.00 -1.24 -4.89 120.51 111.34 3g5l n ALA 115 Ca -0.30 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.31 3g5l n ALA 115 Cb 0.68 0.23 0.70 0.00 0.00 0.00 0.00 19.45 21.05 3g5l n ALA 115 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3g5l h LEU 116 N 0.00 0.00 0.00 0.00 3.38 -1.90 -1.62 115.31 115.17 3g5l h LEU 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g5l h LEU 116 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3g5l h LEU 116 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3g5l n HIS 117 N -2.82 0.00 1.28 1.13 1.44 -1.26 -1.49 115.22 113.49 3g5l n HIS 117 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 3g5l n HIS 117 Cb 0.24 -0.27 0.35 0.00 0.12 0.00 0.00 29.99 30.43 3g5l n HIS 117 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3g5l n TYR 118 N -1.27 0.00 -3.88 -1.40 4.01 -0.61 -0.16 117.16 113.85 3g5l n TYR 118 Ca 0.10 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.49 3g5l n TYR 118 Cb 0.16 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 3g5l n TYR 118 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3g5l s ILE 119 N -2.24 5.20 0.04 -0.72 -1.09 -0.56 -4.83 121.20 117.00 3g5l s ILE 119 Ca 0.29 0.11 -0.20 0.00 -2.23 0.00 0.00 60.65 58.62 3g5l s ILE 119 Cb 0.20 -3.33 -0.14 0.00 -1.58 0.00 0.00 42.46 37.60 3g5l s ILE 119 CO 0.43 0.50 1.34 0.00 -1.23 0.00 0.00 174.94 175.98 3g5l h ALA 120 N 6.17 0.21 -3.05 9.38 0.00 -1.91 -3.41 119.26 126.66 3g5l h ALA 120 Ca -0.44 -0.32 -0.71 0.00 0.00 0.00 0.00 54.91 53.44 3g5l h ALA 120 Cb 1.18 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 18.59 3g5l h ALA 120 CO 0.69 0.08 -0.36 0.45 0.00 0.00 0.00 179.25 180.12 3g5l s SER 121 N -6.11 5.47 0.38 0.00 0.15 -1.26 -4.92 113.70 107.41 3g5l s SER 121 Ca -0.14 -2.54 0.10 0.00 0.70 0.00 0.00 55.95 54.07 3g5l s SER 121 Cb 0.05 -1.91 0.76 0.00 -1.71 0.00 0.00 66.02 63.21 3g5l s SER 121 CO 0.75 -0.47 1.89 0.15 1.20 0.00 0.00 173.24 176.75 3g5l h PHE 122 N 7.51 0.18 -0.82 3.44 3.57 -1.91 -2.13 116.94 126.78 3g5l h PHE 122 Ca -0.05 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.52 3g5l h PHE 122 Cb 1.00 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.61 3g5l h PHE 122 CO 0.70 0.38 0.45 0.22 -2.23 0.00 0.00 178.31 177.83 3g5l h ASP 123 N 0.16 0.63 -0.49 0.41 3.58 -1.95 -0.97 116.42 117.79 3g5l h ASP 123 Ca 0.03 0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.41 3g5l h ASP 123 Cb 0.47 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 3g5l h ASP 123 CO 0.03 0.34 -0.18 0.44 -2.88 0.00 0.00 179.24 176.99 3g5l h ASP 124 N 0.74 1.02 -0.52 2.28 3.45 -1.81 -1.53 116.42 120.05 3g5l h ASP 124 Ca 0.40 -0.37 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 3g5l h ASP 124 Cb 0.41 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 3g5l h ASP 124 CO -0.27 1.17 0.25 0.40 -1.57 0.00 0.00 179.24 179.22 3g5l h ILE 125 N 0.87 1.20 -0.68 0.35 1.08 -1.34 -1.83 117.51 117.16 3g5l h ILE 125 Ca 0.12 -0.56 -0.06 0.00 -0.39 0.00 0.00 64.86 63.97 3g5l h ILE 125 Cb 0.76 0.61 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 3g5l h ILE 125 CO 0.06 0.22 0.19 0.00 -0.69 0.00 0.00 178.15 177.94 3g5l h LYS 127 N 1.01 0.96 -0.26 0.00 1.57 -1.14 -1.13 116.57 117.58 3g5l h LYS 127 Ca 0.22 -0.20 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 3g5l h LYS 127 Cb 0.31 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3g5l h LYS 127 CO -0.00 0.84 -0.51 0.87 -0.57 0.00 0.00 179.45 180.07 3g5l h LYS 128 N 0.89 0.80 -0.53 3.15 1.57 -1.08 -2.49 116.57 118.89 3g5l h LYS 128 Ca 0.21 -0.52 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 3g5l h LYS 128 Cb 0.26 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3g5l h LYS 128 CO -0.01 1.15 0.11 0.28 -0.57 0.00 0.00 179.45 180.40 3g5l h VAL 129 N 0.56 1.25 -0.16 0.50 2.07 -0.90 -0.82 116.25 118.75 3g5l h VAL 129 Ca 0.01 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.66 3g5l h VAL 129 Cb 1.12 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3g5l h VAL 129 CO 0.11 0.33 -0.08 0.22 0.02 0.00 0.00 177.57 178.17 3g5l h TYR 130 N 0.74 -0.19 -0.43 1.57 3.20 -1.18 -0.99 116.97 119.68 3g5l h TYR 130 Ca 0.16 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 3g5l h TYR 130 Cb 0.37 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3g5l h TYR 130 CO 0.03 -0.13 0.24 0.82 -1.64 0.00 0.00 178.16 177.47 3g5l h ILE 131 N -0.07 1.16 0.00 1.81 2.04 -1.32 -3.04 117.51 118.09 3g5l h ILE 131 Ca 0.09 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3g5l h ILE 131 Cb 0.20 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3g5l h ILE 131 CO -0.20 0.17 0.00 0.78 0.00 0.00 0.00 178.15 178.89 3g5l h ASN 132 N 0.56 0.00 -3.37 1.72 4.21 -0.81 -0.95 115.58 116.94 3g5l h ASN 132 Ca 0.15 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 57.11 3g5l h ASN 132 Cb 0.05 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.22 3g5l h ASN 132 CO -0.02 0.00 0.07 -0.76 -1.29 0.00 0.00 177.43 175.42 3g5l s LEU 133 N -5.59 4.55 1.09 1.61 1.43 -0.41 -0.59 118.68 120.77 3g5l s LEU 133 Ca 0.03 1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 54.43 3g5l s LEU 133 Cb 0.09 -3.08 0.24 0.00 0.03 0.00 0.00 46.19 43.47 3g5l s LEU 133 CO 0.50 0.22 1.06 -0.75 0.23 0.00 0.00 176.35 177.61 3g5l s LYS 134 N -1.01 -0.32 0.09 1.70 2.20 -0.08 -3.96 119.74 118.36 3g5l s LYS 134 Ca 0.32 0.63 -0.36 0.00 -0.36 0.00 0.00 55.97 56.20 3g5l s LYS 134 Cb -0.21 -1.64 -0.17 0.00 -1.51 0.00 0.00 37.83 34.30 3g5l s LYS 134 CO 0.22 -3.27 1.32 0.43 -0.36 0.00 0.00 175.35 173.69 3g5l n SER 135 N -4.57 1.59 -2.24 1.43 7.64 -1.26 -1.62 113.62 114.59 3g5l n SER 135 Ca 0.04 1.12 -0.15 0.00 1.01 0.00 0.00 58.87 60.89 3g5l n SER 135 Cb 0.56 -1.19 -0.02 0.00 -1.01 0.00 0.00 64.21 62.55 3g5l n SER 135 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3g5l n SER 136 N 2.46 -4.46 -4.74 6.43 3.41 -1.22 -4.98 113.62 110.52 3g5l n SER 136 Ca 0.18 0.17 -0.32 0.00 -0.26 0.00 0.00 58.87 58.65 3g5l n SER 136 Cb 0.19 -3.81 0.11 0.00 -0.26 0.00 0.00 64.21 60.44 3g5l n SER 136 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3g5l s GLY 137 N -2.08 1.80 -0.03 5.00 0.00 -0.64 -4.60 107.32 106.77 3g5l s GLY 137 Ca 0.00 0.46 -0.00 0.00 0.00 0.00 0.00 44.72 45.17 3g5l s GLY 137 CO 0.00 0.83 0.03 -0.56 0.00 0.00 0.00 173.10 173.40 3g5l s SER 138 N -2.95 5.35 -0.21 1.64 0.01 0.86 -0.71 113.70 117.69 3g5l s SER 138 Ca 0.65 0.10 -0.03 0.00 1.31 0.00 0.00 55.95 57.97 3g5l s SER 138 Cb -0.20 -1.48 0.07 0.00 0.21 0.00 0.00 66.02 64.61 3g5l s SER 138 CO 0.54 0.31 0.07 0.12 0.41 0.00 0.00 173.24 174.69 3g5l s PHE 139 N -1.05 0.81 -0.13 2.43 5.36 0.46 -0.20 117.98 125.66 3g5l s PHE 139 Ca 0.18 -0.83 0.01 0.00 -0.96 0.00 0.00 56.93 55.34 3g5l s PHE 139 Cb -0.12 -1.01 0.02 0.00 -0.34 0.00 0.00 43.02 41.58 3g5l s PHE 139 CO 0.08 -0.65 -0.16 0.42 -1.46 0.00 0.00 175.22 173.46 3g5l s ILE 140 N 1.93 1.61 0.14 3.12 1.01 -0.56 -0.82 121.20 127.64 3g5l s ILE 140 Ca 0.02 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 3g5l s ILE 140 Cb -0.17 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 3g5l s ILE 140 CO -0.14 0.46 0.21 0.72 0.00 0.00 0.00 174.94 176.19 3g5l s PHE 141 N 1.21 0.46 -0.01 3.97 -0.12 -0.59 -2.00 117.98 120.90 3g5l s PHE 141 Ca -0.01 -0.85 0.01 0.00 -0.05 0.00 0.00 56.93 56.04 3g5l s PHE 141 Cb -0.14 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.09 3g5l s PHE 141 CO -0.06 -0.64 -0.04 -1.54 -0.05 0.00 0.00 175.22 172.89 3g5l s SER 142 N -2.97 0.65 0.19 1.98 1.04 -0.60 -0.99 113.70 113.01 3g5l s SER 142 Ca 0.16 -0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.56 3g5l s SER 142 Cb 0.05 -0.16 -0.05 0.00 0.10 0.00 0.00 66.02 65.96 3g5l s SER 142 CO -0.02 0.02 -0.10 0.68 0.98 0.00 0.00 173.24 174.80 3g5l s VAL 143 N 0.23 1.41 0.32 5.02 -7.23 0.00 -1.54 120.40 118.61 3g5l s VAL 143 Ca -0.02 -2.12 -0.29 0.00 -1.81 0.00 0.00 61.98 57.73 3g5l s VAL 143 Cb -0.06 -2.03 -0.11 0.00 0.56 0.00 0.00 36.38 34.74 3g5l s VAL 143 CO -0.00 -0.60 1.51 -1.61 -0.31 0.00 0.00 175.10 174.08 3g5l s GLU 144 N -3.72 4.16 0.37 4.82 2.02 -1.26 -0.47 118.70 124.61 3g5l s GLU 144 Ca 0.21 2.51 -0.28 0.00 0.02 0.00 0.00 54.97 57.43 3g5l s GLU 144 Cb 0.02 -3.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.13 3g5l s GLU 144 CO 0.05 -0.53 1.39 -1.58 0.02 0.00 0.00 175.26 174.60 3g5l s HIS 145 N -0.48 2.79 0.35 1.61 2.46 0.10 -4.65 115.29 117.47 3g5l s HIS 145 Ca 0.58 1.30 0.16 0.00 0.47 0.00 0.00 55.06 57.57 3g5l s HIS 145 Cb -0.46 -3.84 1.12 0.00 -0.13 0.00 0.00 32.58 29.27 3g5l s HIS 145 CO 0.53 -2.43 1.66 -1.35 -2.47 0.00 0.00 174.74 170.68 3g5l h PRO 146 N 3.06 0.29 -0.20 2.88 0.11 -1.91 0.47 132.00 136.70 3g5l h PRO 146 Ca -0.50 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 3g5l h PRO 146 Cb 1.24 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3g5l h PRO 146 CO 0.64 0.19 -0.19 0.28 -0.21 0.00 0.00 178.00 178.72 3g5l h VAL 147 N 0.30 1.23 -0.36 3.15 2.07 -1.90 0.27 116.25 121.01 3g5l h VAL 147 Ca 0.74 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 3g5l h VAL 147 Cb 1.74 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 3g5l h VAL 147 CO -0.59 0.32 -0.26 0.15 0.02 0.00 0.00 177.57 177.21 3g5l h PHE 148 N 0.32 0.84 0.00 1.57 3.57 -1.08 -3.34 116.94 118.82 3g5l h PHE 148 Ca 0.06 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.36 3g5l h PHE 148 Cb 0.51 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3g5l h PHE 148 CO 0.01 0.92 -1.35 0.25 -2.23 0.00 0.00 178.31 175.91 3g5l n THR 149 N -4.10 0.12 0.16 4.41 -2.24 -0.76 -4.44 114.28 107.43 3g5l n THR 149 Ca -0.00 -0.31 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 3g5l n THR 149 Cb 0.45 0.23 -0.09 0.00 -2.10 0.00 0.00 70.33 68.82 3g5l n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g5l h ALA 150 N 2.39 -0.92 0.01 6.98 0.00 -1.06 -3.12 119.26 123.53 3g5l h ALA 150 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3g5l h ALA 150 Cb 0.80 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3g5l h ALA 150 CO 0.00 -1.08 -0.00 0.22 0.00 0.00 0.00 179.25 178.39 3g5l h ASP 151 N -0.78 -0.01 0.00 0.00 3.58 -1.75 -3.41 116.42 114.05 3g5l h ASP 151 Ca -0.01 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.24 3g5l h ASP 151 Cb 0.76 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 3g5l h ASP 151 CO -0.21 0.20 0.00 0.61 -2.88 0.00 0.00 179.24 176.96 3g5l n GLY 152 N -0.54 1.22 0.24 -0.78 0.00 -1.18 -4.85 105.19 99.30 3g5l n GLY 152 Ca -0.08 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.78 3g5l n GLY 152 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3g5l h ARG 153 N 0.00 0.00 -6.30 1.61 0.11 -1.90 -3.46 114.38 104.44 3g5l h ARG 153 Ca 0.00 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.61 3g5l h ARG 153 Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 3g5l h ARG 153 CO 0.00 0.14 -0.77 1.04 0.10 0.00 0.00 179.97 180.47 3g5l n GLN 154 N -3.28 -5.37 -3.79 0.08 6.02 -1.26 -4.95 117.38 104.83 3g5l n GLN 154 Ca 0.00 0.59 -0.09 0.00 -0.01 0.00 0.00 57.00 57.49 3g5l n GLN 154 Cb 0.38 -5.43 -0.04 0.00 1.02 0.00 0.00 30.24 26.18 3g5l n GLN 154 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3g5l s ASP 155 N -3.45 -0.24 0.60 1.08 2.15 -1.26 -5.12 116.67 110.44 3g5l s ASP 155 Ca 0.58 -0.56 -0.18 0.00 0.43 0.00 0.00 52.55 52.82 3g5l s ASP 155 Cb -0.29 0.61 -0.03 0.00 -0.30 0.00 0.00 42.92 42.91 3g5l s ASP 155 CO 0.83 -1.11 1.15 0.26 -0.17 0.00 0.00 175.17 176.13 3g5l s TRP 156 N -3.90 2.53 -0.12 -5.34 0.52 -1.26 -4.47 118.94 106.90 3g5l s TRP 156 Ca 0.11 1.54 -0.26 0.00 0.02 0.00 0.00 56.10 57.52 3g5l s TRP 156 Cb -0.02 -3.32 -0.02 0.00 -1.15 0.00 0.00 33.47 28.96 3g5l s TRP 156 CO 0.00 -1.85 0.82 -0.47 0.02 0.00 0.00 176.95 175.48 3g5l s TYR 157 N -1.91 3.50 0.11 -1.98 5.04 -0.43 -4.94 117.35 116.74 3g5l s TYR 157 Ca 0.72 1.32 0.10 0.00 -2.44 0.00 0.00 57.07 56.78 3g5l s TYR 157 Cb -0.25 -2.98 -0.04 0.00 0.35 0.00 0.00 41.96 39.05 3g5l s TYR 157 CO 0.34 -0.12 -0.26 0.95 -1.34 0.00 0.00 175.55 175.12 3g5l s THR 158 N 1.62 2.18 0.00 4.34 -4.23 -1.26 -0.51 115.64 117.78 3g5l s THR 158 Ca 0.40 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 3g5l s THR 158 Cb -0.18 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.74 3g5l s THR 158 CO 0.16 0.13 0.00 -0.90 -0.54 0.00 0.00 174.62 173.48 3g5l n ASP 159 N 1.11 0.00 0.03 3.99 3.85 -1.11 -4.93 116.55 119.48 3g5l n ASP 159 Ca -0.18 -0.41 -0.09 0.00 -0.71 0.00 0.00 54.79 53.40 3g5l n ASP 159 Cb 0.53 0.00 0.06 0.00 -1.35 0.00 0.00 41.12 40.36 3g5l n ASP 159 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3g5l h GLU 160 N 0.00 0.47 0.00 0.11 3.07 -2.01 -2.89 114.58 113.34 3g5l h GLU 160 Ca 0.00 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 3g5l h GLU 160 Cb 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3g5l h GLU 160 CO 0.00 0.93 -0.03 1.79 -1.40 0.00 0.00 179.01 180.30 3g5l h THR 161 N 0.35 0.00 0.00 1.13 1.35 -2.06 -3.48 112.91 110.21 3g5l h THR 161 Ca -0.00 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 3g5l h THR 161 Cb 1.14 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 3g5l h THR 161 CO 0.11 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 3g5l n GLY 162 N 1.12 1.06 3.75 5.82 0.00 -1.09 -5.09 105.19 110.75 3g5l n GLY 162 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3g5l n GLY 162 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g5l s ASN 163 N -2.00 7.24 -0.60 1.61 0.01 -1.26 -4.79 114.94 115.15 3g5l s ASN 163 Ca 0.00 2.21 -0.27 0.00 -0.71 0.00 0.00 52.86 54.08 3g5l s ASN 163 Cb 0.00 -2.62 0.01 0.00 0.41 0.00 0.00 41.25 39.05 3g5l s ASN 163 CO 0.00 -0.20 1.49 -0.54 -1.51 0.00 0.00 177.10 176.35 3g5l s LYS 164 N -0.92 3.13 -0.01 -0.60 -0.14 -1.26 -2.76 119.74 117.18 3g5l s LYS 164 Ca 0.47 0.37 -0.23 0.00 -1.36 0.00 0.00 55.97 55.22 3g5l s LYS 164 Cb -0.31 -4.20 -0.20 0.00 -1.68 0.00 0.00 37.83 31.45 3g5l s LYS 164 CO 0.38 -2.15 1.19 -0.07 -0.76 0.00 0.00 175.35 173.94 3g5l h LEU 165 N 13.82 0.22 -7.41 3.17 3.38 -1.17 -3.49 115.31 123.84 3g5l h LEU 165 Ca -0.27 -0.61 0.23 0.00 0.09 0.00 0.00 57.88 57.33 3g5l h LEU 165 Cb 1.10 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 3g5l h LEU 165 CO 1.20 0.79 0.64 -1.38 0.09 0.00 0.00 178.44 179.78 3g5l s HIS 166 N -3.79 -0.11 -0.27 1.13 -3.43 -1.24 -5.04 115.29 102.54 3g5l s HIS 166 Ca -0.15 -0.09 -0.17 0.00 -0.80 0.00 0.00 55.06 53.85 3g5l s HIS 166 Cb 0.02 0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 31.74 3g5l s HIS 166 CO 0.73 -0.56 0.49 -0.46 -2.00 0.00 0.00 174.74 172.94 3g5l s TRP 167 N -2.89 3.26 0.14 0.38 -0.11 -1.26 -1.31 118.94 117.14 3g5l s TRP 167 Ca 0.12 0.56 -0.30 0.00 1.22 0.00 0.00 56.10 57.70 3g5l s TRP 167 Cb 0.01 -2.71 -0.07 0.00 -1.50 0.00 0.00 33.47 29.21 3g5l s TRP 167 CO -0.01 -0.29 1.02 -1.25 -4.62 0.00 0.00 176.95 171.79 3g5l s PRO 168 N 2.27 4.66 -0.10 5.86 0.04 -1.26 -4.96 135.00 141.51 3g5l s PRO 168 Ca 0.20 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.83 3g5l s PRO 168 Cb -0.16 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3g5l s PRO 168 CO 0.10 0.16 -0.22 0.08 0.04 0.00 0.00 177.00 177.15 3g5l s VAL 169 N -0.09 1.93 0.13 -0.36 1.01 -1.26 -4.53 120.40 117.24 3g5l s VAL 169 Ca 0.48 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 3g5l s VAL 169 Cb -0.26 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.46 3g5l s VAL 169 CO 0.32 0.53 0.34 -0.62 0.00 0.00 0.00 175.10 175.67 3g5l s ASP 170 N 0.40 -0.09 -1.50 3.32 -1.08 -1.26 -4.92 116.67 111.54 3g5l s ASP 170 Ca -0.18 -0.55 -0.13 0.00 -0.52 0.00 0.00 52.55 51.18 3g5l s ASP 170 Cb -0.18 0.45 0.08 0.00 -1.46 0.00 0.00 42.92 41.81 3g5l s ASP 170 CO 0.08 -0.86 0.86 0.54 0.52 0.00 0.00 175.17 176.31 3g5l n ARG 171 N -0.20 -4.99 0.13 4.34 1.74 -1.26 -2.78 116.66 113.64 3g5l n ARG 171 Ca -0.13 0.59 0.03 0.00 -0.77 0.00 0.00 57.85 57.57 3g5l n ARG 171 Cb 0.63 -5.44 0.42 0.00 -1.02 0.00 0.00 32.46 27.05 3g5l n ARG 171 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3g5l h TYR 172 N -1.81 0.22 -0.37 -1.55 3.20 -1.94 -1.55 116.97 113.17 3g5l h TYR 172 Ca -0.55 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.30 3g5l h TYR 172 Cb 1.36 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3g5l h TYR 172 CO 0.59 0.33 0.00 1.19 -1.64 0.00 0.00 178.16 178.62 3g5l n PHE 173 N -4.31 0.48 -2.83 -3.82 3.72 -1.26 -4.62 117.46 104.83 3g5l n PHE 173 Ca -0.01 -0.24 -0.43 0.00 -0.05 0.00 0.00 57.45 56.72 3g5l n PHE 173 Cb 0.24 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 3g5l n PHE 173 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3g5l s ASN 174 N -1.47 6.52 -1.18 4.37 -0.87 -0.59 -4.95 114.94 116.78 3g5l s ASN 174 Ca 0.38 -1.72 -0.18 0.00 -1.57 0.00 0.00 52.86 49.77 3g5l s ASN 174 Cb 0.22 -2.44 0.09 0.00 -0.02 0.00 0.00 41.25 39.10 3g5l s ASN 174 CO 0.31 -1.24 1.55 -1.61 -2.57 0.00 0.00 177.10 173.54 3g5l s GLU 175 N 3.47 3.87 0.25 -0.60 2.02 -1.26 -4.82 118.70 121.63 3g5l s GLU 175 Ca 0.34 -1.87 0.02 0.00 0.02 0.00 0.00 54.97 53.47 3g5l s GLU 175 Cb -0.06 -5.34 -0.04 0.00 0.10 0.00 0.00 34.13 28.79 3g5l s GLU 175 CO -0.06 -2.10 0.16 -1.54 0.02 0.00 0.00 175.26 171.74 3g5l s SER 176 N 4.08 0.77 0.45 -0.19 1.04 -1.23 -4.90 113.70 113.73 3g5l s SER 176 Ca 0.48 -1.49 -0.25 0.00 0.48 0.00 0.00 55.95 55.17 3g5l s SER 176 Cb 0.01 0.40 -0.08 0.00 0.10 0.00 0.00 66.02 66.44 3g5l s SER 176 CO 0.00 -0.88 1.33 0.80 0.98 0.00 0.00 173.24 175.47 3g5l n MET 177 N -0.41 1.99 -4.05 4.02 1.56 -1.26 -1.15 117.12 117.83 3g5l n MET 177 Ca 0.03 0.71 -0.32 0.00 -0.27 0.00 0.00 57.70 57.86 3g5l n MET 177 Cb 0.65 -2.50 -0.16 0.00 2.15 0.00 0.00 33.22 33.37 3g5l n MET 177 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 3g5l s ARG 178 N -2.40 2.36 -0.13 2.12 1.81 0.13 -4.83 118.95 118.00 3g5l s ARG 178 Ca 0.63 -0.96 -0.04 0.00 -1.72 0.00 0.00 55.73 53.63 3g5l s ARG 178 Cb -0.47 -2.57 -0.03 0.00 -0.45 0.00 0.00 34.95 31.42 3g5l s ARG 178 CO 0.56 -0.40 0.02 0.99 -0.68 0.00 0.00 175.30 175.79 3g5l s THR 179 N 1.29 4.44 0.07 0.02 2.01 -1.26 -1.25 115.64 120.96 3g5l s THR 179 Ca -0.01 -0.18 0.08 0.00 0.31 0.00 0.00 61.69 61.88 3g5l s THR 179 Cb -0.16 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 3g5l s THR 179 CO -0.09 0.54 -0.21 -0.94 -0.69 0.00 0.00 174.62 173.23 3g5l s SER 180 N -0.24 2.52 -0.16 3.53 1.04 -0.80 -4.98 113.70 114.62 3g5l s SER 180 Ca 0.06 -0.59 -0.00 0.00 0.48 0.00 0.00 55.95 55.90 3g5l s SER 180 Cb -0.12 -0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.81 3g5l s SER 180 CO 0.02 0.12 -0.14 -1.00 0.98 0.00 0.00 173.24 173.22 3g5l s HIS 181 N -0.94 2.81 0.28 5.02 3.76 -1.26 -1.98 115.29 122.98 3g5l s HIS 181 Ca 0.07 -1.02 0.07 0.00 -0.15 0.00 0.00 55.06 54.04 3g5l s HIS 181 Cb -0.09 -1.92 -0.06 0.00 1.11 0.00 0.00 32.58 31.62 3g5l s HIS 181 CO 0.03 -0.48 -0.08 -0.06 -0.85 0.00 0.00 174.74 173.30 3g5l s PHE 182 N 0.89 2.01 -0.12 1.40 0.08 -1.07 -5.05 117.98 116.12 3g5l s PHE 182 Ca -0.04 -0.63 -0.29 0.00 0.12 0.00 0.00 56.93 56.09 3g5l s PHE 182 Cb -0.15 -1.11 -0.06 0.00 -0.57 0.00 0.00 43.02 41.13 3g5l s PHE 182 CO -0.01 0.36 2.04 -1.17 -0.10 0.00 0.00 175.22 176.34 3g5l s LEU 183 N -3.46 3.90 0.00 -0.37 0.20 -1.26 -2.03 118.68 115.66 3g5l s LEU 183 Ca 0.29 2.16 0.00 0.00 0.69 0.00 0.00 54.13 57.27 3g5l s LEU 183 Cb 0.03 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.26 3g5l s LEU 183 CO 0.12 -1.51 0.00 0.61 -0.29 0.00 0.00 176.35 175.28 3g5l n GLY 184 N 5.14 2.00 3.28 7.98 0.00 -1.26 -5.01 105.19 117.32 3g5l n GLY 184 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 3g5l n GLY 184 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g5l s GLU 185 N -0.07 1.62 -0.20 1.61 8.01 -0.86 -5.11 118.70 123.70 3g5l s GLU 185 Ca 0.00 -0.97 0.01 0.00 0.01 0.00 0.00 54.97 54.02 3g5l s GLU 185 Cb 0.00 -1.72 0.04 0.00 -4.31 0.00 0.00 34.13 28.15 3g5l s GLU 185 CO 0.00 0.45 -0.10 -0.51 0.01 0.00 0.00 175.26 175.11 3g5l s ASP 186 N -1.05 3.47 -0.14 -0.19 1.01 -1.26 -2.58 116.67 115.92 3g5l s ASP 186 Ca 0.09 -0.93 -0.18 0.00 0.71 0.00 0.00 52.55 52.25 3g5l s ASP 186 Cb -0.09 -1.24 -0.04 0.00 1.01 0.00 0.00 42.92 42.56 3g5l s ASP 186 CO 0.01 -0.15 0.47 -0.69 0.21 0.00 0.00 175.17 175.02 3g5l s VAL 187 N 1.39 5.18 -0.20 -1.27 1.01 -0.84 -4.99 120.40 120.68 3g5l s VAL 187 Ca -0.02 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.89 3g5l s VAL 187 Cb -0.17 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.44 3g5l s VAL 187 CO -0.08 0.29 -0.17 -1.10 0.00 0.00 0.00 175.10 174.04 3g5l s GLN 188 N 0.88 2.76 0.33 2.72 -0.21 -1.26 -1.90 119.66 122.97 3g5l s GLN 188 Ca 0.24 -0.93 0.09 0.00 0.02 0.00 0.00 55.36 54.78 3g5l s GLN 188 Cb -0.15 -2.62 -0.06 0.00 1.00 0.00 0.00 33.01 31.18 3g5l s GLN 188 CO 0.10 -0.30 -0.08 0.15 -2.12 0.00 0.00 175.29 173.03 3g5l s LYS 189 N 1.26 1.75 -0.16 2.91 1.02 -0.38 -4.69 119.74 121.44 3g5l s LYS 189 Ca 0.02 -1.90 0.00 0.00 0.02 0.00 0.00 55.97 54.11 3g5l s LYS 189 Cb -0.15 -1.55 0.03 0.00 -0.52 0.00 0.00 37.83 35.64 3g5l s LYS 189 CO -0.11 0.11 -0.13 0.71 -0.92 0.00 0.00 175.35 175.01 3g5l s TYR 190 N -2.73 2.25 0.13 3.18 2.02 0.77 0.18 117.35 123.16 3g5l s TYR 190 Ca 0.32 -1.34 -0.30 0.00 -0.37 0.00 0.00 57.07 55.38 3g5l s TYR 190 Cb 0.03 -1.62 -0.06 0.00 -0.40 0.00 0.00 41.96 39.91 3g5l s TYR 190 CO 0.15 -0.69 1.00 -1.58 -1.57 0.00 0.00 175.55 172.85 3g5l s HIS 191 N 1.46 3.76 0.06 2.71 5.65 -0.30 -4.84 115.29 123.79 3g5l s HIS 191 Ca 0.03 1.75 -0.00 0.00 0.25 0.00 0.00 55.06 57.09 3g5l s HIS 191 Cb -0.14 -3.11 -0.04 0.00 -1.18 0.00 0.00 32.58 28.11 3g5l s HIS 191 CO -0.10 0.00 -0.04 1.03 -0.65 0.00 0.00 174.74 174.98 3g5l s ARG 192 N -0.11 0.66 0.62 2.88 0.52 -1.26 -3.49 118.95 118.77 3g5l s ARG 192 Ca 0.47 -1.25 -0.05 0.00 -0.52 0.00 0.00 55.73 54.39 3g5l s ARG 192 Cb -0.25 0.12 0.03 0.00 0.52 0.00 0.00 34.95 35.37 3g5l s ARG 192 CO 0.31 -0.09 0.92 0.95 0.02 0.00 0.00 175.30 177.41 3g5l s THR 193 N -3.86 3.04 0.19 0.02 -4.23 -1.26 -4.46 115.64 105.09 3g5l s THR 193 Ca 0.08 -0.20 -0.12 0.00 -1.18 0.00 0.00 61.69 60.27 3g5l s THR 193 Cb 0.07 -3.23 0.10 0.00 1.34 0.00 0.00 72.50 70.78 3g5l s THR 193 CO -0.09 -0.23 1.77 0.58 -0.54 0.00 0.00 174.62 176.11 3g5l h VAL 194 N -0.28 0.88 -0.44 2.29 2.07 -1.96 -2.80 116.25 116.02 3g5l h VAL 194 Ca -0.45 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.00 3g5l h VAL 194 Cb 1.28 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.34 3g5l h VAL 194 CO 0.59 0.08 -0.33 0.74 0.02 0.00 0.00 177.57 178.68 3g5l h THR 195 N 0.46 0.22 -0.27 2.57 2.02 -1.99 -1.84 112.91 114.09 3g5l h THR 195 Ca 0.26 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.47 3g5l h THR 195 Cb 0.23 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3g5l h THR 195 CO -0.21 0.00 0.08 0.74 0.37 0.00 0.00 175.52 176.50 3g5l h THR 196 N -0.23 0.91 -0.37 3.16 2.02 -1.89 0.55 112.91 117.06 3g5l h THR 196 Ca 0.18 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.33 3g5l h THR 196 Cb 0.54 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3g5l h THR 196 CO -0.57 0.04 0.17 1.88 0.37 0.00 0.00 175.52 177.41 3g5l h TYR 197 N 0.20 0.30 -0.03 3.16 0.05 -1.25 -0.80 116.97 118.60 3g5l h TYR 197 Ca 0.12 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.87 3g5l h TYR 197 Cb 0.10 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.76 3g5l h TYR 197 CO -0.14 0.15 -0.18 0.82 -1.05 0.00 0.00 178.16 177.77 3g5l h ILE 198 N 0.34 1.48 -0.26 -2.88 2.04 -0.89 -2.97 117.51 114.38 3g5l h ILE 198 Ca 0.16 -1.67 -0.08 0.00 1.00 0.00 0.00 64.86 64.27 3g5l h ILE 198 Cb 0.09 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3g5l h ILE 198 CO -0.13 0.46 -0.19 1.56 0.00 0.00 0.00 178.15 179.85 3g5l h GLN 199 N -0.40 0.45 -0.39 2.37 1.08 0.08 -2.07 115.11 116.23 3g5l h GLN 199 Ca -0.01 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 3g5l h GLN 199 Cb 0.84 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 3g5l h GLN 199 CO 0.04 0.63 0.10 1.15 -0.95 0.00 0.00 178.83 179.79 3g5l h THR 200 N 0.41 1.23 -0.37 -0.54 2.02 -1.22 -0.58 112.91 113.86 3g5l h THR 200 Ca 0.07 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.49 3g5l h THR 200 Cb 0.57 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 3g5l h THR 200 CO 0.04 0.27 0.23 -0.07 0.37 0.00 0.00 175.52 176.35 3g5l h LEU 201 N 0.49 0.38 -0.43 2.58 3.38 -1.34 -2.50 115.31 117.87 3g5l h LEU 201 Ca 0.12 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3g5l h LEU 201 Cb 0.30 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3g5l h LEU 201 CO 0.00 0.27 0.04 -0.07 0.09 0.00 0.00 178.44 178.78 3g5l h LEU 202 N 0.46 0.70 -0.81 1.67 3.38 -1.20 -1.53 115.31 117.98 3g5l h LEU 202 Ca 0.14 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3g5l h LEU 202 Cb -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3g5l h LEU 202 CO -0.05 0.80 0.00 0.07 0.09 0.00 0.00 178.44 179.35 3g5l h LYS 203 N 0.57 0.00 -0.17 1.13 2.10 -1.13 -2.73 116.57 116.34 3g5l h LYS 203 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 3g5l h LYS 203 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 3g5l h LYS 203 CO 0.01 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.55 3g5l n ASN 204 N -2.88 1.64 0.00 7.07 3.02 -0.94 -4.93 115.26 118.24 3g5l n ASN 204 Ca 0.02 -1.71 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 3g5l n ASN 204 Cb 0.37 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 3g5l n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g5l n GLY 205 N 1.12 0.90 3.91 7.41 0.00 -1.03 -4.94 105.19 112.57 3g5l n GLY 205 Ca 0.16 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3g5l n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g5l s PHE 206 N -2.00 3.49 -0.13 1.61 0.08 -0.60 -0.98 117.98 119.45 3g5l s PHE 206 Ca 0.00 0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.20 3g5l s PHE 206 Cb 0.00 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 3g5l s PHE 206 CO 0.00 0.57 0.10 -1.14 -0.10 0.00 0.00 175.22 174.65 3g5l s GLN 207 N -2.60 3.48 -0.32 0.44 0.74 0.25 -4.16 119.66 117.48 3g5l s GLN 207 Ca 0.34 -0.23 -0.24 0.00 0.05 0.00 0.00 55.36 55.28 3g5l s GLN 207 Cb -0.13 -3.12 0.01 0.00 1.10 0.00 0.00 33.01 30.86 3g5l s GLN 207 CO 0.28 0.65 0.84 0.42 -0.55 0.00 0.00 175.29 176.93 3g5l s ILE 208 N -0.69 4.72 -0.14 -2.34 -1.09 -1.26 -1.37 121.20 119.04 3g5l s ILE 208 Ca 0.12 1.23 0.02 0.00 -2.23 0.00 0.00 60.65 59.79 3g5l s ILE 208 Cb -0.12 -4.21 -0.24 0.00 -1.58 0.00 0.00 42.46 36.31 3g5l s ILE 208 CO 0.03 -0.34 0.30 0.59 -1.23 0.00 0.00 174.94 174.28 3g5l n ASN 209 N 6.39 1.59 -3.63 3.58 3.02 -0.02 -5.00 115.26 121.18 3g5l n ASN 209 Ca 0.05 0.17 -0.15 0.00 -0.03 0.00 0.00 54.58 54.63 3g5l n ASN 209 Cb 0.48 -0.40 -0.07 0.00 -0.61 0.00 0.00 39.78 39.17 3g5l n ASN 209 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3g5l s SER 210 N -6.56 -0.64 -0.14 6.41 0.15 -1.16 -4.98 113.70 106.79 3g5l s SER 210 Ca -0.19 1.07 -0.02 0.00 0.70 0.00 0.00 55.95 57.50 3g5l s SER 210 Cb 0.07 1.05 0.04 0.00 -1.71 0.00 0.00 66.02 65.47 3g5l s SER 210 CO 0.76 -0.34 0.01 -0.69 1.20 0.00 0.00 173.24 174.18 3g5l s VAL 211 N -0.16 0.54 -0.04 4.45 1.01 -1.26 -1.60 120.40 123.34 3g5l s VAL 211 Ca -0.04 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3g5l s VAL 211 Cb -0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3g5l s VAL 211 CO 0.03 0.04 -0.18 -0.63 0.00 0.00 0.00 175.10 174.37 3g5l s ILE 212 N 1.88 1.45 -0.44 2.22 -1.09 0.01 -5.00 121.20 120.23 3g5l s ILE 212 Ca 0.02 -0.74 -0.11 0.00 -2.23 0.00 0.00 60.65 57.58 3g5l s ILE 212 Cb -0.15 -1.24 0.08 0.00 -1.58 0.00 0.00 42.46 39.57 3g5l s ILE 212 CO -0.07 0.42 0.31 -1.61 -1.23 0.00 0.00 174.94 172.76 3g5l s GLU 213 N -0.07 2.74 0.20 2.79 2.02 -1.26 -0.63 118.70 124.48 3g5l s GLU 213 Ca -0.01 -1.43 -0.32 0.00 0.02 0.00 0.00 54.97 53.23 3g5l s GLU 213 Cb -0.11 -3.91 -0.11 0.00 0.10 0.00 0.00 34.13 30.10 3g5l s GLU 213 CO 0.02 -0.99 1.67 -2.14 0.02 0.00 0.00 175.26 173.84 3g5l s PRO 214 N 1.50 4.15 0.54 0.39 0.02 -1.26 -5.04 135.00 135.30 3g5l s PRO 214 Ca 0.03 2.53 -0.05 0.00 0.02 0.00 0.00 61.00 63.54 3g5l s PRO 214 Cb -0.24 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.18 3g5l s PRO 214 CO 0.04 -0.71 0.84 -1.21 -0.33 0.00 0.00 177.00 175.63 3g5l s GLU 215 N 1.15 3.10 0.30 5.54 2.02 -1.26 -4.74 118.70 124.81 3g5l s GLU 215 Ca 0.73 -0.02 -0.28 0.00 0.02 0.00 0.00 54.97 55.42 3g5l s GLU 215 Cb -0.48 -2.34 -0.14 0.00 0.10 0.00 0.00 34.13 31.28 3g5l s GLU 215 CO 0.32 -0.51 1.10 -2.30 0.02 0.00 0.00 175.26 173.88 3g5l n PRO 216 N -2.43 1.57 -1.68 0.39 -0.02 -1.26 -4.93 135.00 126.64 3g5l n PRO 216 Ca 0.03 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 3g5l n PRO 216 Cb 0.57 -1.99 -0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3g5l n PRO 216 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g5l n ALA 217 N 0.30 1.04 0.26 3.55 0.00 -1.26 -4.72 120.51 119.68 3g5l n ALA 217 Ca 0.08 0.32 0.18 0.00 0.00 0.00 0.00 53.44 54.03 3g5l n ALA 217 Cb 0.33 -2.22 0.90 0.00 0.00 0.00 0.00 19.45 18.46 3g5l n ALA 217 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3g5l h PRO 218 N 2.26 0.00 -0.13 0.00 0.13 -2.00 -0.10 132.00 132.16 3g5l h PRO 218 Ca -0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 3g5l h PRO 218 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 3g5l h PRO 218 CO 0.61 0.00 -0.42 1.49 -0.23 0.00 0.00 178.00 179.45 3g5l h GLU 219 N 0.00 0.30 -0.10 0.86 4.81 -2.03 -3.29 114.58 115.13 3g5l h GLU 219 Ca 0.06 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 3g5l h GLU 219 Cb 0.48 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 3g5l h GLU 219 CO -0.00 0.67 -0.25 1.47 -0.73 0.00 0.00 179.01 180.17 3g5l n LEU 220 N -4.02 3.06 0.19 1.64 -0.00 -0.11 -4.72 117.00 113.04 3g5l n LEU 220 Ca -0.02 -3.63 0.04 0.00 -0.00 0.00 0.00 56.01 52.41 3g5l n LEU 220 Cb 0.49 -0.54 0.35 0.00 -0.00 0.00 0.00 43.42 43.73 3g5l n LEU 220 CO 0.43 1.17 0.68 0.07 -0.00 0.00 0.00 177.39 179.74 3g5l h LYS 221 N 0.84 0.00 0.03 1.47 2.10 -1.48 -3.17 116.57 116.36 3g5l h LYS 221 Ca 0.05 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.48 3g5l h LYS 221 Cb 1.19 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.54 3g5l h LYS 221 CO 0.11 0.39 -0.91 -0.44 -2.00 0.00 0.00 179.45 176.61 3g5l h ASP 222 N 0.00 0.74 -0.93 7.07 5.19 -1.85 -3.46 116.42 123.18 3g5l h ASP 222 Ca -0.00 -0.78 -0.84 0.00 -0.62 0.00 0.00 57.03 54.79 3g5l h ASP 222 Cb 0.82 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 40.11 3g5l h ASP 222 CO 0.05 1.43 0.67 0.18 -3.12 0.00 0.00 179.24 178.45 3g5l n LEU 223 N -4.00 1.14 -0.34 1.55 4.32 -1.20 -4.86 117.00 113.62 3g5l n LEU 223 Ca -0.12 1.12 0.15 0.00 -0.02 0.00 0.00 56.01 57.14 3g5l n LEU 223 Cb 0.82 -0.84 0.36 0.00 -1.62 0.00 0.00 43.42 42.14 3g5l n LEU 223 CO 0.53 -0.80 1.19 -0.65 -1.22 0.00 0.00 177.39 176.44 3g5l h PRO 224 N 4.87 0.66 0.00 3.23 0.11 -1.90 -0.17 132.00 138.80 3g5l h PRO 224 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3g5l h PRO 224 Cb 1.31 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3g5l h PRO 224 CO 0.94 0.44 0.00 1.05 -0.21 0.00 0.00 178.00 180.22 3g5l h GLU 225 N 0.68 0.00 -0.01 1.05 9.09 -1.96 -2.98 114.58 120.45 3g5l h GLU 225 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.99 3g5l h GLU 225 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 3g5l h GLU 225 CO -0.37 0.00 -0.12 -1.33 0.05 0.00 0.00 179.01 177.24 3g5l n MET 226 N -2.53 1.23 0.06 1.06 2.81 -0.08 -4.27 117.12 115.40 3g5l n MET 226 Ca 0.02 -0.69 -0.06 0.00 -1.81 0.00 0.00 57.70 55.16 3g5l n MET 226 Cb 0.29 -1.49 0.10 0.00 -0.71 0.00 0.00 33.22 31.42 3g5l n MET 226 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 3g5l h GLN 227 N 1.69 0.35 0.00 0.03 7.50 -1.58 -2.82 115.11 120.29 3g5l h GLN 227 Ca 0.00 -0.23 0.00 0.00 0.50 0.00 0.00 58.65 58.92 3g5l h GLN 227 Cb 0.48 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.04 3g5l h GLN 227 CO 0.00 0.83 0.00 -0.25 -1.50 0.00 0.00 178.83 177.91 3g5l n ASP 228 N -3.92 0.58 0.09 1.46 10.43 -1.26 -3.14 116.55 120.80 3g5l n ASP 228 Ca -0.03 0.62 0.13 0.00 2.57 0.00 0.00 54.79 58.08 3g5l n ASP 228 Cb 0.60 -0.75 0.45 0.00 1.84 0.00 0.00 41.12 43.26 3g5l n ASP 228 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3g5l n GLU 229 N -2.11 0.20 0.00 -1.24 -0.58 -1.06 -2.30 120.64 113.54 3g5l n GLU 229 Ca 0.03 0.21 0.14 0.00 -0.42 0.00 0.00 57.16 57.12 3g5l n GLU 229 Cb 0.28 -1.76 0.54 0.00 -0.57 0.00 0.00 31.44 29.93 3g5l n GLU 229 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3g5l n TYR 230 N -2.11 0.00 -0.01 -0.32 4.02 -1.19 -4.15 117.16 113.40 3g5l n TYR 230 Ca 0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.87 3g5l n TYR 230 Cb 0.38 -0.43 -0.13 0.00 -0.02 0.00 0.00 39.34 39.13 3g5l n TYR 230 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3g5l n ARG 231 N -1.48 0.63 -3.79 -0.72 1.74 -0.97 -4.92 116.66 107.14 3g5l n ARG 231 Ca 0.07 0.29 -0.12 0.00 -0.77 0.00 0.00 57.85 57.32 3g5l n ARG 231 Cb 0.34 -1.80 -0.09 0.00 -1.02 0.00 0.00 32.46 29.89 3g5l n ARG 231 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3g5l s ARG 232 N -2.66 0.67 0.05 5.56 1.04 -1.25 -4.93 118.95 117.42 3g5l s ARG 232 Ca -0.04 -0.36 -0.29 0.00 -1.04 0.00 0.00 55.73 54.00 3g5l s ARG 232 Cb 0.08 0.29 -0.05 0.00 -2.04 0.00 0.00 34.95 33.23 3g5l s ARG 232 CO 0.82 -0.19 0.93 -1.25 -0.04 0.00 0.00 175.30 175.57 3g5l s PRO 233 N -1.77 4.61 -0.02 3.89 0.04 -1.26 -4.77 135.00 135.71 3g5l s PRO 233 Ca -0.11 1.36 0.13 0.00 0.04 0.00 0.00 61.00 62.42 3g5l s PRO 233 Cb -0.04 -3.41 -0.22 0.00 0.04 0.00 0.00 34.50 30.87 3g5l s PRO 233 CO 0.01 0.11 0.72 1.98 0.04 0.00 0.00 177.00 179.87 3g5l h MET 234 N 6.11 0.00 -5.20 4.56 4.05 -1.87 -3.36 114.93 119.22 3g5l h MET 234 Ca -0.42 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 58.62 3g5l h MET 234 Cb 1.21 0.00 -0.19 0.00 -0.80 0.00 0.00 31.60 31.82 3g5l h MET 234 CO 0.73 0.50 -0.75 -1.64 0.23 0.00 0.00 176.91 175.98 3g5l s MET 235 N -2.64 0.90 -0.11 0.39 -1.94 -1.26 0.03 119.30 114.66 3g5l s MET 235 Ca -0.04 -1.13 0.01 0.00 -1.71 0.00 0.00 55.69 52.82 3g5l s MET 235 Cb 0.08 -0.73 0.02 0.00 2.01 0.00 0.00 34.83 36.21 3g5l s MET 235 CO 0.82 0.14 -0.14 -1.17 -0.01 0.00 0.00 175.02 174.66 3g5l s LEU 236 N -2.27 1.68 -0.06 -0.03 2.96 0.38 -4.10 118.68 117.24 3g5l s LEU 236 Ca 0.05 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 3g5l s LEU 236 Cb -0.05 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 3g5l s LEU 236 CO 0.02 -0.00 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.05 3g5l s LEU 237 N 1.09 2.15 -0.02 -0.68 1.02 0.20 -0.82 118.68 121.62 3g5l s LEU 237 Ca -0.05 -0.48 -0.00 0.00 0.02 0.00 0.00 54.13 53.63 3g5l s LEU 237 Cb -0.14 -1.39 0.02 0.00 0.02 0.00 0.00 46.19 44.69 3g5l s LEU 237 CO -0.03 0.26 0.03 -0.63 0.02 0.00 0.00 176.35 176.00 3g5l s ILE 238 N -0.23 -0.04 -0.11 -0.59 1.01 -0.16 -0.81 121.20 120.27 3g5l s ILE 238 Ca -0.01 0.14 -0.00 0.00 0.00 0.00 0.00 60.65 60.77 3g5l s ILE 238 Cb -0.13 -0.07 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 3g5l s ILE 238 CO 0.03 0.06 -0.10 -0.55 0.00 0.00 0.00 174.94 174.38 3g5l s SER 239 N 0.71 4.34 0.02 3.58 0.15 -0.63 -1.54 113.70 120.32 3g5l s SER 239 Ca -0.06 -0.20 -0.03 0.00 0.70 0.00 0.00 55.95 56.36 3g5l s SER 239 Cb -0.08 -1.47 -0.01 0.00 -1.71 0.00 0.00 66.02 62.75 3g5l s SER 239 CO -0.02 0.23 0.04 0.00 1.20 0.00 0.00 173.24 174.69 3g5l s ALA 240 N -0.02 -0.04 -0.03 5.45 0.00 0.00 -0.84 121.76 126.29 3g5l s ALA 240 Ca -0.02 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.56 3g5l s ALA 240 Cb -0.14 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 3g5l s ALA 240 CO 0.03 -0.20 -0.22 0.95 0.00 0.00 0.00 175.76 176.33 3g5l s THR 241 N -1.61 1.74 0.20 0.00 -4.23 -0.47 -0.40 115.64 110.87 3g5l s THR 241 Ca -0.14 -0.93 -0.31 0.00 -1.18 0.00 0.00 61.69 59.13 3g5l s THR 241 Cb -0.08 -1.46 -0.10 0.00 1.34 0.00 0.00 72.50 72.20 3g5l s THR 241 CO -0.01 0.49 1.56 -0.75 -0.54 0.00 0.00 174.62 175.37 3g5l s LYS 242 N -0.36 4.21 -0.01 3.99 2.20 0.12 -0.59 119.74 129.30 3g5l s LYS 242 Ca 0.04 2.39 0.08 0.00 -0.36 0.00 0.00 55.97 58.12 3g5l s LYS 242 Cb -0.10 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 3g5l s LYS 242 CO 0.00 -0.58 -0.25 -0.65 -0.36 0.00 0.00 175.35 173.51 3g5l s GLN 243 N 0.70 2.07 0.00 4.03 -1.52 -0.15 -3.45 119.66 121.34 3g5l s GLN 243 Ca 0.68 -0.96 0.10 0.00 -1.95 0.00 0.00 55.36 53.23 3g5l s GLN 243 Cb -0.44 -2.05 0.08 0.00 -0.22 0.00 0.00 33.01 30.38 3g5l s GLN 243 CO 0.35 0.55 0.83 0.39 -0.25 0.00 0.00 175.29 177.16