#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4f n ASP 26 N 0.00 -2.08 -4.52 0.00 3.85 -1.19 -5.09 116.55 107.52 3g4f n ASP 26 Ca 0.00 -3.23 -0.38 0.00 -0.71 0.00 0.00 54.79 50.47 3g4f n ASP 26 Cb 0.00 1.71 0.04 0.00 -1.35 0.00 0.00 41.12 41.52 3g4f n ASP 26 CO 0.00 0.00 0.00 2.22 -1.01 0.00 0.00 177.20 178.41 3g4f n PHE 27 N 0.30 -0.16 -1.88 2.11 1.16 0.32 -4.82 117.46 114.49 3g4f n PHE 27 Ca 0.02 0.44 0.00 0.00 -1.87 0.00 0.00 57.45 56.04 3g4f n PHE 27 Cb 0.72 -2.02 0.00 0.00 -1.61 0.00 0.00 39.48 36.57 3g4f n PHE 27 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3g4f n GLN 28 N -0.41 0.00 -3.32 3.97 3.00 -1.16 -5.05 117.38 114.41 3g4f n GLN 28 Ca 0.12 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.90 3g4f n GLN 28 Cb 0.47 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.74 3g4f n GLN 28 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 3g4f s PRO 29 N 0.00 2.40 -0.10 -1.09 0.02 -1.26 -4.86 135.00 130.11 3g4f s PRO 29 Ca 0.00 -1.66 -0.30 0.00 0.02 0.00 0.00 61.00 59.06 3g4f s PRO 29 Cb 0.00 -2.49 -0.03 0.00 0.02 0.00 0.00 34.50 32.00 3g4f s PRO 29 CO 0.00 -0.62 1.37 0.45 -0.33 0.00 0.00 177.00 177.88 3g4f s SER 30 N -4.45 6.87 0.00 2.53 0.15 -1.26 -4.66 113.70 112.88 3g4f s SER 30 Ca 0.52 1.91 0.01 0.00 0.70 0.00 0.00 55.95 59.09 3g4f s SER 30 Cb -0.05 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 3g4f s SER 30 CO 0.32 -0.78 0.48 2.30 1.20 0.00 0.00 173.24 176.77 3g4f n ILE 31 N 5.20 0.00 0.27 6.45 -5.35 -1.26 -0.78 119.36 123.89 3g4f n ILE 31 Ca 0.14 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.65 3g4f n ILE 31 Cb 0.44 -0.34 -0.03 0.00 -1.74 0.00 0.00 39.64 37.97 3g4f n ILE 31 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3g4f n TRP 32 N -0.54 0.00 0.00 4.28 7.02 -1.26 -5.09 117.44 121.85 3g4f n TRP 32 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 3g4f n TRP 32 Cb 0.00 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3g4f n TRP 32 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3g4f n GLY 33 N 1.16 3.39 1.00 6.99 0.00 0.04 -2.43 105.19 115.34 3g4f n GLY 33 Ca 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 3g4f n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g4f n ASP 34 N 6.20 2.42 -0.26 1.61 9.92 -1.26 -4.78 116.55 130.40 3g4f n ASP 34 Ca 0.00 -3.85 0.02 0.00 -0.53 0.00 0.00 54.79 50.43 3g4f n ASP 34 Cb 0.00 -0.56 0.15 0.00 -0.64 0.00 0.00 41.12 40.07 3g4f n ASP 34 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3g4f h LEU 35 N 1.14 0.57 -1.01 0.64 7.12 -1.91 -2.83 115.31 119.03 3g4f h LEU 35 Ca 0.14 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.20 3g4f h LEU 35 Cb 1.31 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 3g4f h LEU 35 CO 0.26 0.33 -0.41 0.49 -0.13 0.00 0.00 178.44 178.98 3g4f n PHE 36 N -4.80 0.00 -0.04 1.25 3.72 -1.26 -4.45 117.46 111.88 3g4f n PHE 36 Ca 0.12 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.58 3g4f n PHE 36 Cb 0.26 -0.02 0.43 0.00 -0.94 0.00 0.00 39.48 39.22 3g4f n PHE 36 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3g4f h LEU 37 N 2.46 0.48 -9.39 4.37 6.46 -1.81 -3.29 115.31 114.59 3g4f h LEU 37 Ca 0.00 -0.01 -0.57 0.00 -0.12 0.00 0.00 57.88 57.18 3g4f h LEU 37 Cb 0.74 -0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.50 3g4f h LEU 37 CO 0.00 0.33 -0.03 0.20 -0.62 0.00 0.00 178.44 178.32 3g4f s ASN 38 N -6.53 6.86 0.26 1.25 0.01 -1.26 -4.70 114.94 110.82 3g4f s ASN 38 Ca -0.08 1.03 -0.16 0.00 -0.71 0.00 0.00 52.86 52.93 3g4f s ASN 38 Cb 0.18 -2.35 -0.11 0.00 0.41 0.00 0.00 41.25 39.38 3g4f s ASN 38 CO 0.74 -0.01 0.12 0.00 -1.51 0.00 0.00 177.10 176.44 3g4f n PRO 40 N 0.91 -0.75 0.00 0.00 -0.02 -1.26 -5.05 135.00 128.83 3g4f n PRO 40 Ca 0.09 -0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3g4f n PRO 40 Cb 0.27 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3g4f n PRO 40 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3g4f n ASP 41 N -3.88 0.00 -3.22 2.55 8.00 -1.26 -5.07 116.55 113.67 3g4f n ASP 41 Ca 0.10 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.64 3g4f n ASP 41 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 3g4f n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3g4f s ASP 45 N -4.00 -0.50 0.00 -2.24 -1.08 -1.26 -5.24 116.67 102.35 3g4f s ASP 45 Ca 0.00 0.43 0.23 0.00 -0.52 0.00 0.00 52.55 52.69 3g4f s ASP 45 Cb 0.00 1.47 0.12 0.00 -1.46 0.00 0.00 42.92 43.05 3g4f s ASP 45 CO 0.00 -0.09 1.15 0.00 0.52 0.00 0.00 175.17 176.74 3g4f n ALA 46 N 5.26 4.18 -0.05 3.66 0.00 -1.26 -3.27 120.51 129.03 3g4f n ALA 46 Ca -0.07 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.74 3g4f n ALA 46 Cb 0.53 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 3g4f n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3g4f h GLU 47 N 0.00 0.55 0.00 0.00 4.57 -2.05 -2.59 114.58 115.05 3g4f h GLU 47 Ca 0.00 -0.38 -0.09 0.00 -1.18 0.00 0.00 59.36 57.72 3g4f h GLU 47 Cb 0.50 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3g4f h GLU 47 CO 0.00 0.99 -0.41 0.00 -1.18 0.00 0.00 179.01 178.41 3g4f h THR 48 N 0.19 1.13 -0.07 0.32 1.03 -1.99 -2.76 112.91 110.76 3g4f h THR 48 Ca -0.00 -1.51 -0.02 0.00 -0.01 0.00 0.00 66.41 64.87 3g4f h THR 48 Cb 1.00 1.85 -0.01 0.00 -1.07 0.00 0.00 68.15 69.93 3g4f h THR 48 CO 0.09 0.41 -0.05 -0.33 -0.01 0.00 0.00 175.52 175.63 3g4f h GLU 49 N 0.00 0.10 0.01 0.00 5.08 -1.48 0.24 114.58 118.52 3g4f h GLU 49 Ca -0.00 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 3g4f h GLU 49 Cb 0.82 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3g4f h GLU 49 CO 0.05 0.15 -0.91 0.87 -1.00 0.00 0.00 179.01 178.18 3g4f h LYS 50 N 0.10 0.03 -0.49 2.33 1.57 -1.30 -2.66 116.57 116.15 3g4f h LYS 50 Ca 0.02 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3g4f h LYS 50 Cb 0.15 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3g4f h LYS 50 CO 0.01 0.92 0.12 -0.09 -0.57 0.00 0.00 179.45 179.83 3g4f h ARG 51 N 0.01 0.74 0.18 3.15 9.65 -0.44 -2.53 114.38 125.14 3g4f h ARG 51 Ca -0.02 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 3g4f h ARG 51 Cb 1.59 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 30.06 3g4f h ARG 51 CO 0.12 0.67 -0.09 1.25 2.80 0.00 0.00 179.97 184.72 3g4f h HIS 52 N 0.71 -0.22 -1.25 2.20 2.76 -0.67 -2.50 115.15 116.17 3g4f h HIS 52 Ca 0.16 -0.01 0.36 0.00 -2.20 0.00 0.00 60.37 58.69 3g4f h HIS 52 Cb 0.27 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.25 3g4f h HIS 52 CO 0.01 0.10 0.95 0.37 -1.30 0.00 0.00 177.93 178.06 3g4f h GLN 53 N -0.98 0.00 0.00 5.26 4.15 -1.50 -0.04 115.11 122.00 3g4f h GLN 53 Ca -0.02 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 3g4f h GLN 53 Cb 0.42 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 3g4f h GLN 53 CO 0.04 0.00 -0.21 0.37 -1.93 0.00 0.00 178.83 177.10 3g4f h GLN 54 N 0.00 0.00 -0.89 1.69 4.15 -1.49 -3.33 115.11 115.24 3g4f h GLN 54 Ca 0.60 0.00 0.07 0.00 0.77 0.00 0.00 58.65 60.08 3g4f h GLN 54 Cb 2.49 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 30.13 3g4f h GLN 54 CO -0.01 0.59 0.58 -0.07 -1.93 0.00 0.00 178.83 177.99 3g4f h LEU 55 N -1.00 0.87 -0.71 -2.39 3.38 -0.92 -2.80 115.31 111.75 3g4f h LEU 55 Ca -0.05 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3g4f h LEU 55 Cb 0.67 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 3g4f h LEU 55 CO -0.03 0.56 -0.55 0.50 0.09 0.00 0.00 178.44 179.01 3g4f h LYS 56 N 0.99 -0.16 0.00 1.13 3.64 -1.14 0.36 116.57 121.39 3g4f h LYS 56 Ca 0.38 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 3g4f h LYS 56 Cb 0.22 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3g4f h LYS 56 CO -0.14 -0.11 0.00 0.93 -2.27 0.00 0.00 179.45 177.86 3g4f h GLU 57 N -0.17 0.00 0.29 1.90 4.39 -1.61 -2.37 114.58 117.01 3g4f h GLU 57 Ca 0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3g4f h GLU 57 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 3g4f h GLU 57 CO -0.76 0.00 -0.14 0.93 -1.16 0.00 0.00 179.01 177.89 3g4f h GLU 58 N 0.00 -0.37 -0.76 2.33 5.08 -0.25 -1.34 114.58 119.27 3g4f h GLU 58 Ca 0.00 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 3g4f h GLU 58 Cb 0.28 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.48 3g4f h GLU 58 CO 0.00 -0.13 0.02 0.28 -1.00 0.00 0.00 179.01 178.18 3g4f h VAL 59 N -1.04 0.34 0.07 3.13 2.07 -1.07 0.25 116.25 120.00 3g4f h VAL 59 Ca -0.04 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3g4f h VAL 59 Cb 0.41 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 3g4f h VAL 59 CO 0.06 0.02 -0.38 -0.09 0.02 0.00 0.00 177.57 177.20 3g4f h ARG 60 N 0.11 -0.56 -0.75 1.57 2.43 -1.45 0.86 114.38 116.58 3g4f h ARG 60 Ca 0.42 0.04 0.22 0.00 -0.81 0.00 0.00 59.98 59.84 3g4f h ARG 60 Cb 0.74 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 3g4f h ARG 60 CO -0.66 -0.37 0.54 0.87 -1.51 0.00 0.00 179.97 178.84 3g4f h LYS 61 N -0.58 0.01 0.14 0.20 1.57 0.55 -0.43 116.57 118.02 3g4f h LYS 61 Ca 0.04 -0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.51 3g4f h LYS 61 Cb 0.64 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3g4f h LYS 61 CO -0.26 0.00 -1.48 1.98 -0.57 0.00 0.00 179.45 179.13 3g4f h MET 62 N 0.01 0.29 -0.39 3.15 4.05 0.86 -2.03 114.93 120.86 3g4f h MET 62 Ca 0.36 -0.49 -0.02 0.00 -0.28 0.00 0.00 59.70 59.27 3g4f h MET 62 Cb 1.43 0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 32.39 3g4f h MET 62 CO -0.01 1.18 0.18 0.82 0.23 0.00 0.00 176.91 179.31 3g4f h ILE 63 N 0.08 1.18 -0.22 1.77 2.04 0.68 -3.22 117.51 119.82 3g4f h ILE 63 Ca -0.23 -0.53 -0.17 0.00 1.00 0.00 0.00 64.86 64.93 3g4f h ILE 63 Cb 2.02 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3g4f h ILE 63 CO 0.18 0.20 -0.55 0.58 0.00 0.00 0.00 178.15 178.56 3g4f h VAL 64 N 0.49 1.31 -3.33 1.67 2.07 -1.33 -3.43 116.25 113.70 3g4f h VAL 64 Ca 0.13 -1.78 -0.53 0.00 0.82 0.00 0.00 66.70 65.34 3g4f h VAL 64 Cb 0.15 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3g4f h VAL 64 CO -0.01 0.56 0.47 0.00 0.02 0.00 0.00 177.57 178.61 3g4f s ALA 65 N -4.04 3.29 0.59 1.67 0.00 -0.76 -5.02 121.76 117.50 3g4f s ALA 65 Ca -0.08 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 52.41 3g4f s ALA 65 Cb 0.11 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 3g4f s ALA 65 CO 0.86 -0.32 1.20 -2.14 0.00 0.00 0.00 175.76 175.36 3g4f s PRO 66 N 0.86 2.98 0.53 0.00 0.02 -1.26 -4.83 135.00 133.29 3g4f s PRO 66 Ca 0.55 1.80 0.03 0.00 0.02 0.00 0.00 61.00 63.39 3g4f s PRO 66 Cb -0.26 -1.93 0.01 0.00 0.02 0.00 0.00 34.50 32.34 3g4f s PRO 66 CO 0.29 -1.19 0.16 -1.64 -0.33 0.00 0.00 177.00 174.29 3g4f s MET 67 N -3.35 2.22 0.00 5.54 -1.94 -1.26 -5.06 119.30 115.45 3g4f s MET 67 Ca 0.77 -2.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.48 3g4f s MET 67 Cb -0.30 -1.75 0.00 0.00 2.01 0.00 0.00 34.83 34.80 3g4f s MET 67 CO 0.33 -0.47 0.18 0.00 -0.01 0.00 0.00 175.02 175.04 3g4f n ALA 68 N -1.47 0.00 -3.08 3.03 0.00 -1.26 -4.81 120.51 112.92 3g4f n ALA 68 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3g4f n ALA 68 Cb 0.66 0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.20 3g4f n ALA 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3g4f n ASN 69 N -0.84 0.24 0.23 0.00 2.04 -1.26 -5.04 115.26 110.63 3g4f n ASN 69 Ca 0.00 -0.66 0.07 0.00 -0.44 0.00 0.00 54.58 53.55 3g4f n ASN 69 Cb 0.00 0.00 0.54 0.00 -2.53 0.00 0.00 39.78 37.79 3g4f n ASN 69 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 3g4f h SER 70 N 0.00 0.00 1.48 0.53 0.02 -2.01 -2.84 113.55 110.74 3g4f h SER 70 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3g4f h SER 70 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3g4f h SER 70 CO 0.00 0.21 -0.41 0.74 -1.14 0.00 0.00 176.83 176.24 3g4f h THR 71 N 0.00 0.72 0.00 -2.27 2.02 -1.96 -2.05 112.91 109.37 3g4f h THR 71 Ca -0.00 -1.94 -0.03 0.00 0.77 0.00 0.00 66.41 65.21 3g4f h THR 71 Cb 0.43 2.29 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 3g4f h THR 71 CO 0.03 0.40 -0.57 1.56 0.37 0.00 0.00 175.52 177.30 3g4f h GLN 72 N 0.00 0.00 0.00 6.66 4.20 -1.90 -2.96 115.11 121.11 3g4f h GLN 72 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3g4f h GLN 72 Cb 1.26 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 3g4f h GLN 72 CO 0.05 0.10 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.00 3g4f h LYS 73 N 0.00 0.00 -1.07 1.46 1.63 -1.45 -2.76 116.57 114.38 3g4f h LYS 73 Ca -0.02 0.00 0.31 0.00 -0.85 0.00 0.00 60.65 60.10 3g4f h LYS 73 Cb 1.11 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.61 3g4f h LYS 73 CO 0.01 0.36 0.65 -0.07 -3.45 0.00 0.00 179.45 176.95 3g4f h LEU 74 N -1.00 0.48 0.00 5.20 3.38 -1.53 -0.43 115.31 121.41 3g4f h LEU 74 Ca -0.01 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3g4f h LEU 74 Cb 0.41 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3g4f h LEU 74 CO -0.01 -0.04 -0.64 0.00 0.09 0.00 0.00 178.44 177.84 3g4f h ALA 75 N 1.72 0.67 0.23 1.53 0.00 -1.60 -2.37 119.26 119.45 3g4f h ALA 75 Ca 0.70 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3g4f h ALA 75 Cb 1.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3g4f h ALA 75 CO -0.47 0.66 -0.11 0.35 0.00 0.00 0.00 179.25 179.68 3g4f h PHE 76 N 0.00 -0.29 -0.49 0.00 3.57 -0.91 -2.61 116.94 116.20 3g4f h PHE 76 Ca -0.03 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.56 3g4f h PHE 76 Cb 1.41 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 40.15 3g4f h PHE 76 CO 0.00 0.08 -0.21 0.82 -2.23 0.00 0.00 178.31 176.76 3g4f h ILE 77 N -0.91 0.36 -0.90 1.41 2.04 -1.18 0.15 117.51 118.49 3g4f h ILE 77 Ca -0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.95 3g4f h ILE 77 Cb 0.50 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 3g4f h ILE 77 CO 0.05 0.00 0.58 -0.78 0.00 0.00 0.00 178.15 178.00 3g4f h ASP 78 N -0.11 0.74 0.78 1.72 3.58 -1.50 0.32 116.42 121.95 3g4f h ASP 78 Ca 0.23 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.61 3g4f h ASP 78 Cb 0.46 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 3g4f h ASP 78 CO -0.56 0.41 -0.46 0.28 -2.88 0.00 0.00 179.24 176.03 3g4f h SER 79 N 0.81 0.00 -0.15 2.28 0.02 -0.63 0.86 113.55 116.73 3g4f h SER 79 Ca 0.43 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.19 3g4f h SER 79 Cb 0.55 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.09 3g4f h SER 79 CO -0.20 0.46 -0.66 0.58 -1.14 0.00 0.00 176.83 175.88 3g4f h VAL 80 N 0.00 1.31 -0.44 2.27 2.07 0.10 -1.78 116.25 119.78 3g4f h VAL 80 Ca -0.00 -1.89 -0.13 0.00 0.82 0.00 0.00 66.70 65.50 3g4f h VAL 80 Cb 0.98 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 3g4f h VAL 80 CO 0.06 0.59 -0.23 1.56 0.02 0.00 0.00 177.57 179.57 3g4f h GLN 81 N 0.41 0.90 0.00 1.57 4.20 -0.37 -3.02 115.11 118.80 3g4f h GLN 81 Ca -0.04 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3g4f h GLN 81 Cb 1.29 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3g4f h GLN 81 CO 0.14 1.04 0.00 0.00 -0.67 0.00 0.00 178.83 179.33 3g4f h ARG 82 N 0.78 0.00 0.00 1.46 3.08 -0.83 -2.93 114.38 115.94 3g4f h ARG 82 Ca 0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 3g4f h ARG 82 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3g4f h ARG 82 CO 0.07 0.00 -0.42 -0.07 -1.07 0.00 0.00 179.97 178.47 3g4f h LEU 83 N 0.00 0.00 0.00 3.04 3.38 -1.19 -3.30 115.31 117.23 3g4f h LEU 83 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g4f h LEU 83 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3g4f h LEU 83 CO 0.00 0.42 0.00 0.61 0.09 0.00 0.00 178.44 179.56 3g4f n GLY 84 N 1.15 1.99 0.33 0.83 0.00 -1.11 -4.72 105.19 103.67 3g4f n GLY 84 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3g4f n GLY 84 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3g4f n VAL 85 N -0.72 0.00 0.16 1.61 0.24 -1.19 -4.80 118.33 113.63 3g4f n VAL 85 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.46 3g4f n VAL 85 Cb 0.00 0.58 0.75 0.00 -1.47 0.00 0.00 33.84 33.70 3g4f n VAL 85 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3g4f h SER 86 N 0.00 0.00 -0.39 -1.34 4.64 -1.82 -3.04 113.55 111.59 3g4f h SER 86 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3g4f h SER 86 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3g4f h SER 86 CO 0.00 0.00 0.26 0.10 -0.87 0.00 0.00 176.83 176.32 3g4f h TYR 87 N 0.00 0.48 -0.28 4.77 -0.00 -1.92 -1.32 116.97 118.69 3g4f h TYR 87 Ca 0.12 0.01 -0.02 0.00 -0.00 0.00 0.00 58.73 58.83 3g4f h TYR 87 Cb 0.53 -0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 37.08 3g4f h TYR 87 CO 0.00 0.30 0.07 0.45 -0.00 0.00 0.00 178.16 178.98 3g4f h HIS 88 N 0.51 0.40 -0.09 0.10 3.86 -1.93 -3.24 115.15 114.76 3g4f h HIS 88 Ca 0.15 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3g4f h HIS 88 Cb -0.03 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 3g4f h HIS 88 CO -0.00 0.35 -0.01 1.19 0.86 0.00 0.00 177.93 180.32 3g4f n PHE 89 N -4.38 0.32 -0.33 2.45 3.72 -0.58 -4.82 117.46 113.83 3g4f n PHE 89 Ca 0.01 -0.98 0.14 0.00 -0.05 0.00 0.00 57.45 56.57 3g4f n PHE 89 Cb 0.16 -0.21 0.28 0.00 -0.94 0.00 0.00 39.48 38.77 3g4f n PHE 89 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3g4f n THR 90 N -1.13 -0.40 0.02 4.37 -1.04 -0.69 -0.61 114.28 114.80 3g4f n THR 90 Ca 0.18 2.08 -0.19 0.00 -2.04 0.00 0.00 64.05 64.08 3g4f n THR 90 Cb 0.73 -3.03 -0.10 0.00 -1.82 0.00 0.00 70.33 66.11 3g4f n THR 90 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3g4f h LYS 91 N 0.00 0.68 0.00 -2.82 1.63 -1.89 -2.50 116.57 111.68 3g4f h LYS 91 Ca 0.57 -0.69 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 3g4f h LYS 91 Cb 1.18 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.99 3g4f h LYS 91 CO -0.89 1.28 -0.06 0.93 -3.45 0.00 0.00 179.45 177.26 3g4f h GLU 92 N 0.35 0.00 0.00 1.90 3.07 -1.23 -2.51 114.58 116.16 3g4f h GLU 92 Ca -0.11 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.62 3g4f h GLU 92 Cb 1.57 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.46 3g4f h GLU 92 CO 0.18 0.06 -0.81 0.82 -1.40 0.00 0.00 179.01 177.86 3g4f h ILE 93 N 0.00 0.98 -0.17 3.13 2.04 -1.14 -3.04 117.51 119.31 3g4f h ILE 93 Ca -0.00 -2.03 0.05 0.00 1.00 0.00 0.00 64.86 63.88 3g4f h ILE 93 Cb 0.14 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3g4f h ILE 93 CO 0.01 0.33 0.23 -0.08 0.00 0.00 0.00 178.15 178.64 3g4f h GLU 94 N -1.00 0.00 0.16 2.37 4.57 -1.43 0.16 114.58 119.40 3g4f h GLU 94 Ca -0.21 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 3g4f h GLU 94 Cb 1.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 3g4f h GLU 94 CO -0.13 0.00 -0.07 -0.44 -1.18 0.00 0.00 179.01 177.19 3g4f h ASP 95 N 0.00 -0.18 -0.48 1.04 3.32 -1.56 -3.01 116.42 115.55 3g4f h ASP 95 Ca 0.08 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.26 3g4f h ASP 95 Cb 0.54 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3g4f h ASP 95 CO -0.00 -0.11 0.34 -0.08 -1.72 0.00 0.00 179.24 177.67 3g4f h GLU 96 N -0.24 0.07 0.00 3.56 4.57 -0.60 0.48 114.58 122.42 3g4f h GLU 96 Ca -0.02 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 3g4f h GLU 96 Cb 0.16 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3g4f h GLU 96 CO 0.04 0.04 -0.58 -0.07 -1.18 0.00 0.00 179.01 177.25 3g4f h LEU 97 N 0.07 0.00 -0.39 1.64 3.38 -1.41 -3.15 115.31 115.44 3g4f h LEU 97 Ca 0.23 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.03 3g4f h LEU 97 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3g4f h LEU 97 CO -0.02 0.58 -0.53 -0.08 0.09 0.00 0.00 178.44 178.49 3g4f h GLU 98 N 0.00 0.76 -0.09 1.13 4.81 0.11 -2.38 114.58 118.93 3g4f h GLU 98 Ca -0.01 -0.47 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 3g4f h GLU 98 Cb 1.42 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.79 3g4f h GLU 98 CO 0.08 1.10 -0.49 -0.91 -0.73 0.00 0.00 179.01 178.06 3g4f h ASN 99 N 0.59 -1.53 -0.01 1.04 2.35 -1.50 -2.29 115.58 114.24 3g4f h ASN 99 Ca 0.02 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3g4f h ASN 99 Cb 1.11 0.60 -0.00 0.00 0.05 0.00 0.00 38.32 40.08 3g4f h ASN 99 CO 0.11 -0.47 0.05 0.40 -1.65 0.00 0.00 177.43 175.87 3g4f h ILE 100 N -0.58 0.05 0.00 2.81 2.04 -1.49 0.74 117.51 121.08 3g4f h ILE 100 Ca 0.05 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.70 3g4f h ILE 100 Cb 0.68 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 3g4f h ILE 100 CO -0.39 0.00 -1.40 0.22 0.00 0.00 0.00 178.15 176.58 3g4f h TYR 101 N 0.00 0.00 0.09 1.37 3.20 -0.88 -3.37 116.97 117.38 3g4f h TYR 101 Ca 0.00 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.57 3g4f h TYR 101 Cb 0.11 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3g4f h TYR 101 CO 0.00 0.75 -1.63 0.45 -1.64 0.00 0.00 178.16 176.09 3g4f h HIS 102 N 0.00 0.33 -2.46 -3.82 3.86 -1.20 -3.42 115.15 108.44 3g4f h HIS 102 Ca -0.18 -0.24 -0.76 0.00 -1.16 0.00 0.00 60.37 58.03 3g4f h HIS 102 Cb 1.73 -0.01 -0.20 0.00 1.06 0.00 0.00 27.41 29.98 3g4f h HIS 102 CO 0.00 1.64 1.18 0.09 0.86 0.00 0.00 177.93 181.70 3g4f n ASN 103 N -3.88 5.33 -3.88 2.45 3.02 0.20 -4.98 115.26 113.52 3g4f n ASN 103 Ca -0.30 -3.02 -0.17 0.00 -0.03 0.00 0.00 54.58 51.06 3g4f n ASN 103 Cb 0.90 -1.51 -0.16 0.00 -0.61 0.00 0.00 39.78 38.41 3g4f n ASN 103 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3g4f s ASN 104 N 2.15 0.58 -0.83 6.41 2.47 -1.26 -4.67 114.94 119.80 3g4f s ASN 104 Ca 0.39 -0.07 -0.17 0.00 0.42 0.00 0.00 52.86 53.43 3g4f s ASN 104 Cb -0.03 -0.23 0.16 0.00 -1.45 0.00 0.00 41.25 39.70 3g4f s ASN 104 CO -0.01 -0.03 0.91 0.21 -3.72 0.00 0.00 177.10 174.45 3g4f s ASN 105 N 0.60 6.59 0.54 -4.21 2.47 -1.26 -4.89 114.94 114.79 3g4f s ASN 105 Ca -0.07 -2.16 0.35 0.00 0.42 0.00 0.00 52.86 51.40 3g4f s ASN 105 Cb -0.10 -2.31 1.89 0.00 -1.45 0.00 0.00 41.25 39.28 3g4f s ASN 105 CO -0.01 -0.89 2.06 -2.24 -3.72 0.00 0.00 177.10 172.30 3g4f h ASP 106 N 8.51 0.00 -3.66 -4.21 -0.00 -2.01 -3.33 116.42 111.72 3g4f h ASP 106 Ca 0.05 0.00 -0.63 0.00 -0.00 0.00 0.00 57.03 56.45 3g4f h ASP 106 Cb 1.04 0.00 -0.40 0.00 -0.00 0.00 0.00 39.33 39.97 3g4f h ASP 106 CO 0.97 0.00 -0.72 0.00 -0.00 0.00 0.00 179.24 179.50 3g4f s ALA 107 N -3.92 2.55 0.24 4.15 0.00 -1.26 -4.20 121.76 119.33 3g4f s ALA 107 Ca -0.04 -2.46 -0.03 0.00 0.00 0.00 0.00 51.96 49.42 3g4f s ALA 107 Cb 0.10 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 3g4f s ALA 107 CO 0.32 -1.79 0.27 -1.83 0.00 0.00 0.00 175.76 172.73 3g4f s GLU 108 N 0.80 1.43 0.05 0.00 -1.05 -1.25 -5.22 118.70 113.46 3g4f s GLU 108 Ca 0.13 -1.59 0.01 0.00 -0.15 0.00 0.00 54.97 53.36 3g4f s GLU 108 Cb -0.20 0.35 -0.03 0.00 -0.44 0.00 0.00 34.13 33.80 3g4f s GLU 108 CO -0.10 -0.53 -0.06 -0.80 0.95 0.00 0.00 175.26 174.73 3g4f s ASN 109 N -3.16 0.74 1.01 0.83 0.01 -1.26 -5.03 114.94 108.09 3g4f s ASN 109 Ca 0.34 -0.74 -0.17 0.00 -0.71 0.00 0.00 52.86 51.58 3g4f s ASN 109 Cb 0.04 0.09 -0.03 0.00 0.41 0.00 0.00 41.25 41.76 3g4f s ASN 109 CO 0.14 -0.36 -0.29 0.47 -1.51 0.00 0.00 177.10 175.54 3g4f n ASP 110 N 0.85 -3.40 -0.02 -1.22 10.43 -1.26 -4.46 116.55 117.47 3g4f n ASP 110 Ca -0.19 0.15 0.16 0.00 2.57 0.00 0.00 54.79 57.48 3g4f n ASP 110 Cb 0.57 -0.93 0.61 0.00 1.84 0.00 0.00 41.12 43.21 3g4f n ASP 110 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3g4f h LEU 111 N -1.43 0.15 0.18 0.64 5.85 -1.98 0.19 115.31 118.91 3g4f h LEU 111 Ca -0.45 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3g4f h LEU 111 Cb 1.32 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3g4f h LEU 111 CO 0.30 0.09 -0.09 0.22 -0.34 0.00 0.00 178.44 178.62 3g4f h TYR 112 N 0.17 -0.22 -0.80 1.25 3.20 -1.87 -1.09 116.97 117.61 3g4f h TYR 112 Ca 0.25 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.30 3g4f h TYR 112 Cb 0.75 0.07 -0.13 0.00 1.54 0.00 0.00 36.73 38.97 3g4f h TYR 112 CO -0.00 -0.14 0.16 1.15 -1.64 0.00 0.00 178.16 177.69 3g4f h THR 113 N -0.39 0.40 0.39 1.81 2.02 -1.86 -0.06 112.91 115.23 3g4f h THR 113 Ca -0.02 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3g4f h THR 113 Cb 0.18 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3g4f h THR 113 CO 0.04 0.04 -0.19 0.74 0.37 0.00 0.00 175.52 176.52 3g4f h THR 114 N 0.21 0.61 -0.58 3.16 2.02 -0.64 -2.44 112.91 115.25 3g4f h THR 114 Ca 0.47 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.63 3g4f h THR 114 Cb 0.86 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 3g4f h THR 114 CO -0.60 0.00 0.30 0.28 0.37 0.00 0.00 175.52 175.87 3g4f h SER 115 N -0.53 0.74 1.11 4.18 0.02 -0.08 -2.38 113.55 116.61 3g4f h SER 115 Ca -0.05 -0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 3g4f h SER 115 Cb 0.41 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3g4f h SER 115 CO 0.09 0.64 -0.38 -0.29 -1.14 0.00 0.00 176.83 175.75 3g4f h ILE 116 N 0.79 0.78 0.00 3.27 2.10 -1.04 -1.88 117.51 121.53 3g4f h ILE 116 Ca 0.20 -1.67 0.00 0.00 1.08 0.00 0.00 64.86 64.47 3g4f h ILE 116 Cb 0.08 2.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.88 3g4f h ILE 116 CO -0.03 0.37 -0.03 -0.09 -1.08 0.00 0.00 178.15 177.29 3g4f h ARG 117 N 0.00 0.00 0.14 2.19 2.43 -1.30 -3.09 114.38 114.75 3g4f h ARG 117 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 3g4f h ARG 117 Cb 1.04 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3g4f h ARG 117 CO 0.05 0.00 -1.26 0.35 -1.51 0.00 0.00 179.97 177.60 3g4f h PHE 118 N 0.00 0.70 0.59 2.20 3.57 -0.98 -3.11 116.94 119.91 3g4f h PHE 118 Ca 0.00 -0.48 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 3g4f h PHE 118 Cb 1.00 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.71 3g4f h PHE 118 CO 0.00 1.36 -0.28 -0.09 -2.23 0.00 0.00 178.31 177.06 3g4f h ARG 119 N 0.14 -0.76 -0.52 1.11 2.43 -1.40 -1.77 114.38 113.60 3g4f h ARG 119 Ca -0.16 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3g4f h ARG 119 Cb 1.96 0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 31.64 3g4f h ARG 119 CO 0.22 -0.46 0.25 -0.07 -1.51 0.00 0.00 179.97 178.40 3g4f h LEU 120 N -1.10 0.34 -0.86 3.80 3.38 -1.70 -0.56 115.31 118.61 3g4f h LEU 120 Ca -0.08 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3g4f h LEU 120 Cb 0.66 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3g4f h LEU 120 CO 0.13 0.23 -0.56 -0.07 0.09 0.00 0.00 178.44 178.26 3g4f h LEU 121 N 0.48 0.00 -0.18 1.67 3.38 -1.60 -1.32 115.31 117.74 3g4f h LEU 121 Ca 0.24 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.99 3g4f h LEU 121 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3g4f h LEU 121 CO -0.18 0.56 -0.95 0.03 0.09 0.00 0.00 178.44 177.99 3g4f h ARG 122 N 0.00 0.29 -0.61 1.13 2.47 -1.10 0.54 114.38 117.10 3g4f h ARG 122 Ca -0.01 -0.34 -0.03 0.00 -1.26 0.00 0.00 59.98 58.34 3g4f h ARG 122 Cb 1.01 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 29.40 3g4f h ARG 122 CO 0.07 1.05 0.25 1.49 0.56 0.00 0.00 179.97 183.39 3g4f h GLU 123 N 0.15 0.92 -0.91 0.04 4.81 -0.80 -2.78 114.58 116.01 3g4f h GLU 123 Ca -0.07 -0.16 -0.19 0.00 -0.13 0.00 0.00 59.36 58.80 3g4f h GLU 123 Cb 1.59 -0.15 -0.11 0.00 0.63 0.00 0.00 28.75 30.71 3g4f h GLU 123 CO 0.15 0.78 0.24 0.72 -0.73 0.00 0.00 179.01 180.17 3g4f n HIS 124 N -4.45 1.57 -0.66 0.92 8.25 -0.52 -4.88 115.22 115.43 3g4f n HIS 124 Ca 0.04 -0.97 0.00 0.00 -0.26 0.00 0.00 57.72 56.53 3g4f n HIS 124 Cb 0.17 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.73 3g4f n HIS 124 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g4f n GLY 125 N -0.16 1.35 3.67 -1.41 0.00 -1.05 -4.91 105.19 102.67 3g4f n GLY 125 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 3g4f n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g4f s TYR 126 N -3.54 3.31 -0.59 1.61 1.51 0.19 -0.19 117.35 119.65 3g4f s TYR 126 Ca 0.00 1.43 -0.13 0.00 -1.01 0.00 0.00 57.07 57.36 3g4f s TYR 126 Cb 0.00 -3.29 -0.12 0.00 -0.11 0.00 0.00 41.96 38.44 3g4f s TYR 126 CO 0.00 -0.60 1.79 0.09 -1.11 0.00 0.00 175.55 175.72 3g4f n ASN 127 N 6.05 2.77 -4.75 2.29 4.13 -1.26 -4.07 115.26 120.41 3g4f n ASN 127 Ca 0.12 -2.41 -0.41 0.00 1.68 0.00 0.00 54.58 53.56 3g4f n ASN 127 Cb 0.46 -0.92 -0.03 0.00 -1.54 0.00 0.00 39.78 37.75 3g4f n ASN 127 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3g4f s VAL 128 N 4.67 3.14 0.16 2.41 1.01 -1.26 -5.01 120.40 125.52 3g4f s VAL 128 Ca 0.42 1.04 -0.19 0.00 0.00 0.00 0.00 61.98 63.25 3g4f s VAL 128 Cb 0.10 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 3g4f s VAL 128 CO 0.07 0.20 0.64 -0.55 0.00 0.00 0.00 175.10 175.47 3g4f s SER 129 N -0.17 7.04 0.00 3.32 0.15 -1.26 -4.94 113.70 117.83 3g4f s SER 129 Ca 0.52 1.32 0.00 0.00 0.70 0.00 0.00 55.95 58.48 3g4f s SER 129 Cb -0.36 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 3g4f s SER 129 CO 0.43 0.14 0.79 0.00 1.20 0.00 0.00 173.24 175.80 3g4f n ASP 131 N -1.29 0.69 0.26 0.00 5.68 -1.26 -3.38 116.55 117.25 3g4f n ASP 131 Ca 0.00 -0.60 0.17 0.00 -0.50 0.00 0.00 54.79 53.87 3g4f n ASP 131 Cb 0.04 0.04 0.79 0.00 -1.14 0.00 0.00 41.12 40.85 3g4f n ASP 131 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 3g4f h VAL 132 N 0.72 0.00 -0.23 2.12 -1.51 -1.90 -1.95 116.25 113.50 3g4f h VAL 132 Ca 0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 3g4f h VAL 132 Cb 0.45 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 3g4f h VAL 132 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 3g4f n PHE 133 N -2.84 0.29 0.01 5.19 3.72 -1.22 -4.22 117.46 118.40 3g4f n PHE 133 Ca -0.00 -0.15 -0.13 0.00 -0.05 0.00 0.00 57.45 57.12 3g4f n PHE 133 Cb 0.20 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 3g4f n PHE 133 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3g4f h ASN 134 N 2.70 0.71 0.00 4.37 -0.26 -1.57 -3.24 115.58 118.30 3g4f h ASN 134 Ca 0.00 -0.44 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 3g4f h ASN 134 Cb 0.60 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 3g4f h ASN 134 CO 0.00 1.20 0.00 2.29 -1.06 0.00 0.00 177.43 179.86 3g4f n LYS 135 N -3.91 0.29 -0.24 0.81 2.85 -1.26 -1.82 118.16 114.89 3g4f n LYS 135 Ca -0.05 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.22 3g4f n LYS 135 Cb 0.70 -1.16 0.02 0.00 -0.65 0.00 0.00 35.03 33.94 3g4f n LYS 135 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3g4f n PHE 136 N 0.39 0.00 -4.52 5.58 3.72 -1.22 -5.01 117.46 116.39 3g4f n PHE 136 Ca 0.00 -0.22 -0.32 0.00 -0.05 0.00 0.00 57.45 56.86 3g4f n PHE 136 Cb 0.08 -0.05 -0.16 0.00 -0.94 0.00 0.00 39.48 38.40 3g4f n PHE 136 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3g4f s LYS 137 N -0.58 2.84 1.03 -1.08 1.02 -0.76 -2.70 119.74 119.52 3g4f s LYS 137 Ca 0.05 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.14 3g4f s LYS 137 Cb 0.05 -2.35 0.21 0.00 -0.52 0.00 0.00 37.83 35.22 3g4f s LYS 137 CO 0.01 -0.06 1.09 0.16 -0.92 0.00 0.00 175.35 175.62 3g4f s ASP 138 N 0.95 2.01 0.62 2.83 3.84 -0.25 -4.83 116.67 121.83 3g4f s ASP 138 Ca -0.05 1.87 0.28 0.00 -0.00 0.00 0.00 52.55 54.65 3g4f s ASP 138 Cb -0.15 -2.44 1.43 0.00 -1.38 0.00 0.00 42.92 40.38 3g4f s ASP 138 CO -0.04 -3.62 1.83 -0.08 -0.00 0.00 0.00 175.17 173.27 3g4f h GLU 139 N -2.22 0.00 0.00 2.11 4.81 -2.00 -1.23 114.58 116.05 3g4f h GLU 139 Ca -0.52 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.61 3g4f h GLU 139 Cb 1.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 3g4f h GLU 139 CO 0.46 0.00 -0.49 1.96 -0.73 0.00 0.00 179.01 180.21 3g4f h GLN 140 N 0.00 0.00 0.00 1.92 7.50 -2.03 -3.46 115.11 119.03 3g4f h GLN 140 Ca 0.15 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.30 3g4f h GLN 140 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.68 3g4f h GLN 140 CO -0.00 0.49 0.00 0.41 -1.50 0.00 0.00 178.83 178.22 3g4f n GLY 141 N 0.68 0.92 3.71 3.46 0.00 -0.46 -5.11 105.19 108.39 3g4f n GLY 141 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3g4f n GLY 141 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g4f s ASN 142 N -1.56 4.91 0.09 1.61 0.01 -1.26 -4.90 114.94 113.84 3g4f s ASN 142 Ca 0.00 -0.45 -0.31 0.00 -0.71 0.00 0.00 52.86 51.39 3g4f s ASN 142 Cb 0.00 -1.07 -0.08 0.00 0.41 0.00 0.00 41.25 40.51 3g4f s ASN 142 CO 0.00 0.02 1.49 -0.36 -1.51 0.00 0.00 177.10 176.74 3g4f s PHE 143 N -2.09 2.94 0.68 2.20 0.08 -1.26 -1.10 117.98 119.43 3g4f s PHE 143 Ca 0.31 0.71 -0.17 0.00 0.12 0.00 0.00 56.93 57.90 3g4f s PHE 143 Cb -0.08 -3.80 -0.08 0.00 -0.57 0.00 0.00 43.02 38.49 3g4f s PHE 143 CO 0.21 -2.96 0.22 1.63 -0.10 0.00 0.00 175.22 174.22 3g4f n LYS 144 N 4.62 0.22 0.12 0.44 5.02 -1.10 -4.82 118.16 122.66 3g4f n LYS 144 Ca 0.13 0.10 0.01 0.00 -2.02 0.00 0.00 58.31 56.53 3g4f n LYS 144 Cb 0.41 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3g4f n LYS 144 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3g4f h SER 145 N -0.29 0.00 0.02 4.39 0.02 -1.94 -2.82 113.55 112.93 3g4f h SER 145 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3g4f h SER 145 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3g4f h SER 145 CO 0.41 0.56 0.00 0.77 -1.14 0.00 0.00 176.83 177.43 3g4f h SER 146 N 0.00 0.00 0.02 3.07 4.64 -2.00 0.34 113.55 119.62 3g4f h SER 146 Ca -0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 3g4f h SER 146 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 3g4f h SER 146 CO 0.07 0.00 -0.19 0.58 -0.87 0.00 0.00 176.83 176.43 3g4f h VAL 147 N 0.00 1.67 0.00 0.95 2.07 -1.84 -3.26 116.25 115.84 3g4f h VAL 147 Ca 0.00 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.30 3g4f h VAL 147 Cb 0.01 3.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3g4f h VAL 147 CO 0.00 0.59 0.25 0.71 0.02 0.00 0.00 177.57 179.14 3g4f h THR 148 N -0.76 0.00 0.06 2.57 1.35 -0.99 -2.73 112.91 112.40 3g4f h THR 148 Ca -0.03 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.53 3g4f h THR 148 Cb 1.07 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.20 3g4f h THR 148 CO 0.04 0.00 -1.62 -1.20 -0.25 0.00 0.00 175.52 172.49 3g4f n SER 149 N -2.90 1.98 -4.56 5.36 7.64 -1.14 -4.76 113.62 115.24 3g4f n SER 149 Ca -0.02 0.33 -0.19 0.00 1.01 0.00 0.00 58.87 59.99 3g4f n SER 149 Cb 0.30 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.51 3g4f n SER 149 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3g4f n ASP 150 N -4.01 1.85 0.12 6.43 -0.08 -1.03 -4.79 116.55 115.04 3g4f n ASP 150 Ca -0.33 -1.21 -0.02 0.00 -1.51 0.00 0.00 54.79 51.73 3g4f n ASP 150 Cb 0.85 -1.61 0.19 0.00 2.34 0.00 0.00 41.12 42.89 3g4f n ASP 150 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3g4f h VAL 151 N 7.69 1.38 0.40 5.18 2.07 -1.85 -2.28 116.25 128.84 3g4f h VAL 151 Ca -0.06 -1.86 -0.02 0.00 0.82 0.00 0.00 66.70 65.58 3g4f h VAL 151 Cb 1.08 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3g4f h VAL 151 CO 1.06 0.54 -0.19 0.03 0.02 0.00 0.00 177.57 179.03 3g4f h ARG 152 N 0.08 -0.52 -0.35 1.57 3.08 -1.97 -3.17 114.38 113.09 3g4f h ARG 152 Ca -0.00 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.19 3g4f h ARG 152 Cb 0.99 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3g4f h ARG 152 CO 0.08 -0.35 0.57 0.78 -1.07 0.00 0.00 179.97 179.98 3g4f h GLY 153 N -0.83 0.00 2.00 0.04 0.00 -1.89 0.67 103.07 103.05 3g4f h GLY 153 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 3g4f h GLY 153 CO 0.09 0.00 -0.63 1.41 0.00 0.00 0.00 176.54 177.41 3g4f h LEU 154 N 0.00 0.00 0.20 3.11 3.38 -1.42 -1.88 115.31 118.70 3g4f h LEU 154 Ca 0.17 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.87 3g4f h LEU 154 Cb 1.31 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.10 3g4f h LEU 154 CO -0.00 0.63 -1.18 0.25 0.09 0.00 0.00 178.44 178.23 3g4f h LEU 155 N 0.00 0.70 -0.98 1.67 5.85 -0.85 -2.66 115.31 119.04 3g4f h LEU 155 Ca -0.01 -0.92 0.03 0.00 0.84 0.00 0.00 57.88 57.82 3g4f h LEU 155 Cb 1.38 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 3g4f h LEU 155 CO 0.08 1.57 0.64 -0.33 -0.34 0.00 0.00 178.44 180.06 3g4f h GLU 156 N -0.05 1.23 0.00 1.25 4.39 -1.46 0.48 114.58 120.41 3g4f h GLU 156 Ca -0.20 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 3g4f h GLU 156 Cb 1.93 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 30.29 3g4f h GLU 156 CO 0.22 0.81 -0.18 1.25 -1.16 0.00 0.00 179.01 179.96 3g4f h LEU 157 N 1.26 0.00 0.11 1.33 5.85 -1.38 0.04 115.31 122.53 3g4f h LEU 157 Ca 0.38 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 3g4f h LEU 157 Cb -0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3g4f h LEU 157 CO -0.11 0.18 -0.06 0.22 -0.34 0.00 0.00 178.44 178.33 3g4f h TYR 158 N 0.00 -0.14 0.39 1.25 5.03 -0.58 -2.91 116.97 120.01 3g4f h TYR 158 Ca -0.00 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 3g4f h TYR 158 Cb 0.52 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 3g4f h TYR 158 CO 0.00 0.35 -0.31 1.96 -1.32 0.00 0.00 178.16 178.84 3g4f h GLN 159 N -0.83 -0.68 -1.40 1.82 1.08 -1.07 -2.65 115.11 111.38 3g4f h GLN 159 Ca -0.02 0.05 0.41 0.00 -1.45 0.00 0.00 58.65 57.64 3g4f h GLN 159 Cb 0.56 0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 28.08 3g4f h GLN 159 CO 0.03 -0.45 0.99 0.00 -0.95 0.00 0.00 178.83 178.44 3g4f h ALA 160 N -0.21 3.21 0.00 3.87 0.00 -1.09 0.31 119.26 125.35 3g4f h ALA 160 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g4f h ALA 160 Cb 0.61 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3g4f h ALA 160 CO -0.01 -1.64 0.00 -1.13 0.00 0.00 0.00 179.25 176.47 3g4f n SER 161 N -4.20 0.68 -0.01 0.00 3.41 -1.00 -2.31 113.62 110.18 3g4f n SER 161 Ca 0.32 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.67 3g4f n SER 161 Cb 1.44 -0.77 0.64 0.00 -0.26 0.00 0.00 64.21 65.25 3g4f n SER 161 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3g4f n TYR 162 N -2.18 0.00 0.74 7.33 4.02 0.11 -2.88 117.16 124.30 3g4f n TYR 162 Ca 0.04 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.01 3g4f n TYR 162 Cb 0.33 -0.38 0.24 0.00 -0.02 0.00 0.00 39.34 39.51 3g4f n TYR 162 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3g4f n LEU 163 N -1.38 2.25 -4.76 7.72 4.32 -0.98 -4.94 117.00 119.23 3g4f n LEU 163 Ca 0.10 -1.07 -0.36 0.00 -0.02 0.00 0.00 56.01 54.65 3g4f n LEU 163 Cb 0.30 -0.24 0.02 0.00 -1.62 0.00 0.00 43.42 41.88 3g4f n LEU 163 CO 0.26 0.54 0.84 0.00 -1.22 0.00 0.00 177.39 177.80 3g4f s ARG 164 N -1.52 3.21 0.00 3.23 1.70 -1.14 -4.95 118.95 119.49 3g4f s ARG 164 Ca 0.31 1.80 0.00 0.00 -0.47 0.00 0.00 55.73 57.36 3g4f s ARG 164 Cb 0.16 -2.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.49 3g4f s ARG 164 CO 0.22 -1.01 0.00 1.33 -1.08 0.00 0.00 175.30 174.77 3g4f n VAL 165 N -1.30 0.00 -1.13 4.99 0.24 -1.26 -4.48 118.33 115.39 3g4f n VAL 165 Ca 0.12 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.13 3g4f n VAL 165 Cb 0.49 -0.31 0.18 0.00 -1.47 0.00 0.00 33.84 32.73 3g4f n VAL 165 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3g4f s HIS 166 N 0.84 2.06 -1.62 6.34 0.09 -1.26 -4.08 115.29 117.66 3g4f s HIS 166 Ca 0.00 1.00 -0.14 0.00 -0.00 0.00 0.00 55.06 55.92 3g4f s HIS 166 Cb 0.00 -3.25 0.12 0.00 -0.00 0.00 0.00 32.58 29.44 3g4f s HIS 166 CO 0.00 -2.95 0.75 0.41 -0.00 0.00 0.00 174.74 172.95 3g4f n GLY 167 N -0.98 -0.41 2.37 -2.22 0.00 -1.26 -4.90 105.19 97.78 3g4f n GLY 167 Ca 0.05 0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3g4f n GLY 167 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g4f n GLU 168 N -4.44 1.56 0.13 1.61 1.02 -1.26 -4.95 120.64 114.31 3g4f n GLU 168 Ca -0.01 -3.81 0.16 0.00 -0.02 0.00 0.00 57.16 53.49 3g4f n GLU 168 Cb 0.54 -1.75 0.71 0.00 -0.02 0.00 0.00 31.44 30.92 3g4f n GLU 168 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 3g4f h ASP 169 N 3.45 0.00 -0.02 1.62 2.03 -1.92 -0.44 116.42 121.14 3g4f h ASP 169 Ca 0.11 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.42 3g4f h ASP 169 Cb 0.81 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.31 3g4f h ASP 169 CO 0.60 0.00 0.02 -0.29 -1.03 0.00 0.00 179.24 178.54 3g4f h ILE 170 N 0.00 0.63 0.11 4.15 2.10 -1.93 -1.17 117.51 121.40 3g4f h ILE 170 Ca 0.13 0.00 -0.36 0.00 1.08 0.00 0.00 64.86 65.71 3g4f h ILE 170 Cb 0.57 0.98 -0.02 0.00 -1.09 0.00 0.00 36.82 37.26 3g4f h ILE 170 CO -0.00 0.00 -2.00 0.18 -1.08 0.00 0.00 178.15 175.25 3g4f n LEU 171 N -4.01 2.46 0.30 2.19 4.77 -0.21 -1.92 117.00 120.57 3g4f n LEU 171 Ca -0.02 0.21 0.11 0.00 -0.03 0.00 0.00 56.01 56.28 3g4f n LEU 171 Cb 0.11 -0.97 0.52 0.00 -2.33 0.00 0.00 43.42 40.75 3g4f n LEU 171 CO 0.29 0.81 1.09 0.44 -1.33 0.00 0.00 177.39 178.69 3g4f h ASP 172 N 0.06 0.00 0.00 -1.43 3.32 -0.99 -0.78 116.42 116.60 3g4f h ASP 172 Ca -0.42 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.30 3g4f h ASP 172 Cb 2.03 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.53 3g4f h ASP 172 CO 0.08 0.00 -1.80 -0.62 -1.72 0.00 0.00 179.24 175.18 3g4f n GLU 173 N -2.82 0.57 0.17 3.56 1.02 -0.50 -4.45 120.64 118.20 3g4f n GLU 173 Ca 0.00 0.44 0.18 0.00 -0.02 0.00 0.00 57.16 57.76 3g4f n GLU 173 Cb 0.65 -1.63 0.73 0.00 -0.02 0.00 0.00 31.44 31.18 3g4f n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g4f h ALA 174 N -0.73 1.89 0.25 0.62 0.00 -0.46 -1.60 119.26 119.23 3g4f h ALA 174 Ca -0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3g4f h ALA 174 Cb 1.42 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3g4f h ALA 174 CO -0.30 -0.60 -0.12 0.97 0.00 0.00 0.00 179.25 179.20 3g4f h ILE 175 N 0.00 0.62 -0.34 0.00 6.09 -1.63 -1.78 117.51 120.46 3g4f h ILE 175 Ca 0.14 -0.90 0.05 0.00 -1.37 0.00 0.00 64.86 62.78 3g4f h ILE 175 Cb 1.05 1.00 -0.05 0.00 0.47 0.00 0.00 36.82 39.29 3g4f h ILE 175 CO -0.00 0.15 0.04 0.28 -3.07 0.00 0.00 178.15 175.55 3g4f h SER 176 N -0.91 -0.05 0.00 2.19 0.02 -1.60 -2.04 113.55 111.16 3g4f h SER 176 Ca -0.03 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3g4f h SER 176 Cb 0.50 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3g4f h SER 176 CO 0.06 0.01 0.00 0.33 -1.14 0.00 0.00 176.83 176.09 3g4f n PHE 177 N -5.12 0.00 -0.12 3.45 7.35 -0.67 -2.62 117.46 119.72 3g4f n PHE 177 Ca 0.01 0.00 0.27 0.00 -0.76 0.00 0.00 57.45 56.97 3g4f n PHE 177 Cb 0.16 0.00 0.60 0.00 0.35 0.00 0.00 39.48 40.59 3g4f n PHE 177 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 3g4f h THR 178 N 0.00 0.17 -0.24 -2.13 1.35 -1.34 0.50 112.91 111.23 3g4f h THR 178 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.68 3g4f h THR 178 Cb 0.00 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 66.70 3g4f h THR 178 CO 0.00 0.00 -0.58 0.74 -0.25 0.00 0.00 175.52 175.43 3g4f h THR 179 N 0.00 1.29 0.05 6.82 2.02 -1.26 -2.75 112.91 119.08 3g4f h THR 179 Ca 0.40 -1.79 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 3g4f h THR 179 Cb 2.20 1.72 -0.00 0.00 -1.74 0.00 0.00 68.15 70.33 3g4f h THR 179 CO -0.00 0.57 -0.03 -0.74 0.37 0.00 0.00 175.52 175.69 3g4f h HIS 180 N 0.57 -0.08 0.00 3.16 6.17 0.26 -2.03 115.15 123.21 3g4f h HIS 180 Ca 0.00 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 3g4f h HIS 180 Cb 1.17 0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.13 3g4f h HIS 180 CO 0.06 -0.04 0.00 0.72 0.71 0.00 0.00 177.93 179.38 3g4f n HIS 181 N -2.30 0.00 -0.11 5.26 8.25 -1.11 -2.17 115.22 123.05 3g4f n HIS 181 Ca -0.01 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 3g4f n HIS 181 Cb 0.03 -0.48 -0.11 0.00 1.12 0.00 0.00 29.99 30.55 3g4f n HIS 181 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3g4f n LEU 182 N -1.48 2.22 -0.16 2.41 4.77 -1.04 -2.34 117.00 121.38 3g4f n LEU 182 Ca 0.01 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.13 3g4f n LEU 182 Cb 0.04 -0.91 -0.07 0.00 -2.33 0.00 0.00 43.42 40.15 3g4f n LEU 182 CO 0.03 0.61 0.54 0.28 -1.33 0.00 0.00 177.39 177.52 3g4f h SER 183 N -0.67 -1.66 0.52 -1.43 0.02 -0.93 -1.74 113.55 107.66 3g4f h SER 183 Ca -0.56 0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.56 3g4f h SER 183 Cb 1.65 0.71 -0.01 0.00 0.14 0.00 0.00 62.40 64.89 3g4f h SER 183 CO -0.24 -0.37 -0.34 -0.07 -1.14 0.00 0.00 176.83 174.66 3g4f h LEU 184 N -0.32 0.00 -1.62 5.07 3.38 -1.61 -2.96 115.31 117.25 3g4f h LEU 184 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3g4f h LEU 184 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3g4f h LEU 184 CO -0.63 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.24 3g4f n ALA 185 N -2.38 2.47 0.24 1.53 0.00 -0.99 -4.32 120.51 117.07 3g4f n ALA 185 Ca -0.01 -0.73 -0.15 0.00 0.00 0.00 0.00 53.44 52.55 3g4f n ALA 185 Cb 0.42 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 3g4f n ALA 185 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g4f h VAL 186 N 3.14 0.49 -0.58 0.00 2.07 -1.14 -3.33 116.25 116.89 3g4f h VAL 186 Ca 0.00 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.29 3g4f h VAL 186 Cb 0.69 0.64 -0.11 0.00 -1.52 0.00 0.00 31.29 30.99 3g4f h VAL 186 CO 0.00 0.06 -0.19 0.00 0.02 0.00 0.00 177.57 177.46 3g4f h ALA 187 N -0.42 0.29 -0.01 1.67 0.00 -1.78 -0.76 119.26 118.24 3g4f h ALA 187 Ca -0.06 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3g4f h ALA 187 Cb 0.57 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3g4f h ALA 187 CO 0.10 -0.49 0.01 -1.13 0.00 0.00 0.00 179.25 177.75 3g4f n SER 188 N -5.42 4.60 -4.37 0.00 3.41 -1.25 -4.84 113.62 105.75 3g4f n SER 188 Ca 0.06 -2.30 -0.31 0.00 -0.26 0.00 0.00 58.87 56.06 3g4f n SER 188 Cb 0.33 -0.92 -0.15 0.00 -0.26 0.00 0.00 64.21 63.20 3g4f n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g4f s LEU 189 N -0.05 2.27 -0.25 1.04 1.43 -0.29 -5.11 118.68 117.72 3g4f s LEU 189 Ca 0.01 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 3g4f s LEU 189 Cb 0.01 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 3g4f s LEU 189 CO 0.00 0.30 0.14 -1.81 0.23 0.00 0.00 176.35 175.21 3g4f s ASP 190 N -0.88 5.86 0.32 2.29 1.11 -1.26 -4.70 116.67 119.40 3g4f s ASP 190 Ca 0.11 0.02 -0.23 0.00 0.18 0.00 0.00 52.55 52.63 3g4f s ASP 190 Cb -0.10 -2.06 -0.15 0.00 1.07 0.00 0.00 42.92 41.67 3g4f s ASP 190 CO 0.01 0.03 0.23 1.57 1.18 0.00 0.00 175.17 178.19 3g4f n HIS 191 N 4.52 -1.46 0.76 4.23 -0.00 -1.26 -2.92 115.22 119.09 3g4f n HIS 191 Ca -0.15 0.72 0.13 0.00 0.46 0.00 0.00 57.72 58.87 3g4f n HIS 191 Cb 0.52 -1.77 0.35 0.00 -0.12 0.00 0.00 29.99 28.97 3g4f n HIS 191 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3g4f n PRO 192 N 1.17 0.16 -0.34 1.57 -0.02 -1.26 -4.86 135.00 131.42 3g4f n PRO 192 Ca 0.13 0.08 0.16 0.00 -2.02 0.00 0.00 63.50 61.86 3g4f n PRO 192 Cb 0.33 -1.64 0.37 0.00 -0.02 0.00 0.00 33.50 32.54 3g4f n PRO 192 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3g4f h LEU 193 N 0.00 0.61 -1.53 2.45 5.85 -1.93 -0.36 115.31 120.40 3g4f h LEU 193 Ca 0.00 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 3g4f h LEU 193 Cb 0.64 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3g4f h LEU 193 CO 0.00 0.09 -0.01 0.77 -0.34 0.00 0.00 178.44 178.95 3g4f h SER 194 N 0.55 0.27 -0.05 1.25 4.64 -1.84 -0.69 113.55 117.67 3g4f h SER 194 Ca 0.62 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.69 3g4f h SER 194 Cb 1.17 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3g4f h SER 194 CO -0.48 0.33 -0.82 -0.08 -0.87 0.00 0.00 176.83 174.90 3g4f h GLU 195 N 0.29 0.65 0.23 4.77 4.57 -1.45 -0.05 114.58 123.58 3g4f h GLU 195 Ca 0.07 -0.63 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 3g4f h GLU 195 Cb 0.21 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3g4f h GLU 195 CO 0.00 1.23 -0.19 1.49 -1.18 0.00 0.00 179.01 180.36 3g4f h GLU 196 N 0.30 -0.42 0.05 1.92 4.81 -0.89 0.83 114.58 121.18 3g4f h GLU 196 Ca -0.09 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3g4f h GLU 196 Cb 1.48 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.95 3g4f h GLU 196 CO 0.16 -0.28 -0.02 0.28 -0.73 0.00 0.00 179.01 178.42 3g4f h VAL 197 N -0.44 0.97 -0.50 0.32 2.07 -1.18 0.86 116.25 118.36 3g4f h VAL 197 Ca -0.01 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 3g4f h VAL 197 Cb 0.40 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3g4f h VAL 197 CO -0.03 0.02 0.07 0.77 0.02 0.00 0.00 177.57 178.43 3g4f h SER 198 N -0.10 0.73 -0.20 0.57 4.64 -0.94 -1.44 113.55 116.82 3g4f h SER 198 Ca -0.01 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.10 3g4f h SER 198 Cb 0.09 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3g4f h SER 198 CO 0.01 0.76 -0.14 -0.74 -0.87 0.00 0.00 176.83 175.85 3g4f h HIS 199 N 0.74 0.52 -0.39 4.77 6.17 -0.52 -2.74 115.15 123.70 3g4f h HIS 199 Ca 0.16 -0.14 0.11 0.00 0.71 0.00 0.00 60.37 61.21 3g4f h HIS 199 Cb 0.35 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 30.15 3g4f h HIS 199 CO 0.02 0.77 0.44 0.00 0.71 0.00 0.00 177.93 179.86 3g4f h ALA 200 N 0.67 2.08 0.15 5.26 0.00 0.13 0.14 119.26 127.69 3g4f h ALA 200 Ca 0.04 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.60 3g4f h ALA 200 Cb 0.65 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3g4f h ALA 200 CO 0.04 -0.64 -1.67 -0.07 0.00 0.00 0.00 179.25 176.91 3g4f h LEU 201 N 0.00 0.50 -1.01 0.00 3.38 -1.07 -3.22 115.31 113.89 3g4f h LEU 201 Ca 0.18 -0.74 -0.10 0.00 0.09 0.00 0.00 57.88 57.32 3g4f h LEU 201 Cb 1.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3g4f h LEU 201 CO -0.00 1.62 -0.39 0.11 0.09 0.00 0.00 178.44 179.87 3g4f h LYS 202 N 0.09 0.20 -1.35 1.13 1.57 -0.98 -3.45 116.57 113.78 3g4f h LYS 202 Ca -0.30 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 3g4f h LYS 202 Cb 2.06 -0.00 -0.24 0.00 0.08 0.00 0.00 32.23 34.12 3g4f h LYS 202 CO 0.17 0.57 -0.36 -1.14 -0.57 0.00 0.00 179.45 178.11 3g4f s GLN 203 N -4.18 0.48 0.91 3.15 2.00 0.39 -5.12 119.66 117.30 3g4f s GLN 203 Ca -0.04 0.79 -0.11 0.00 -2.00 0.00 0.00 55.36 53.99 3g4f s GLN 203 Cb 0.14 0.14 0.14 0.00 0.80 0.00 0.00 33.01 34.22 3g4f s GLN 203 CO 0.76 -0.66 1.09 -1.54 -0.50 0.00 0.00 175.29 174.44 3g4f s SER 204 N 2.73 3.29 -0.09 6.67 1.04 -1.25 -4.25 113.70 121.84 3g4f s SER 204 Ca 0.17 1.57 -0.27 0.00 0.48 0.00 0.00 55.95 57.90 3g4f s SER 204 Cb -0.15 -2.23 -0.23 0.00 0.10 0.00 0.00 66.02 63.51 3g4f s SER 204 CO -0.20 -2.76 0.93 0.40 0.98 0.00 0.00 173.24 172.59 3g4f h ILE 205 N -1.64 1.54 -0.70 -1.02 2.04 -1.92 -2.83 117.51 112.99 3g4f h ILE 205 Ca -0.50 -1.81 0.19 0.00 1.00 0.00 0.00 64.86 63.74 3g4f h ILE 205 Cb 1.28 2.75 -0.03 0.00 -0.74 0.00 0.00 36.82 40.08 3g4f h ILE 205 CO 0.53 0.46 0.50 -0.09 0.00 0.00 0.00 178.15 179.55 3g4f h ARG 206 N -0.81 0.05 -0.02 2.37 9.65 -1.94 -1.80 114.38 121.88 3g4f h ARG 206 Ca -0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3g4f h ARG 206 Cb 0.76 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 3g4f h ARG 206 CO 0.00 0.03 -0.11 0.54 2.80 0.00 0.00 179.97 183.24 3g4f n ARG 207 N -4.35 1.62 -3.28 0.20 1.74 -1.24 -4.95 116.66 106.40 3g4f n ARG 207 Ca 0.14 -1.41 -0.32 0.00 -0.77 0.00 0.00 57.85 55.48 3g4f n ARG 207 Cb 0.74 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.76 3g4f n ARG 207 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3g4f s GLY 208 N -1.72 2.31 -0.01 -0.13 0.00 -0.68 -4.56 107.32 102.53 3g4f s GLY 208 Ca 0.20 -0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.51 3g4f s GLY 208 CO 0.30 0.06 1.63 1.08 0.00 0.00 0.00 173.10 176.17 3g4f s LEU 209 N -2.88 4.34 0.54 0.66 1.43 -1.26 -4.91 118.68 116.59 3g4f s LEU 209 Ca 0.51 2.31 0.25 0.00 -1.03 0.00 0.00 54.13 56.17 3g4f s LEU 209 Cb -0.11 -3.54 1.42 0.00 0.03 0.00 0.00 46.19 43.98 3g4f s LEU 209 CO 0.19 -0.89 2.00 -0.65 0.23 0.00 0.00 176.35 177.23 3g4f h PRO 210 N 9.03 0.00 0.16 1.29 0.11 -1.93 -2.27 132.00 138.38 3g4f h PRO 210 Ca -0.40 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.39 3g4f h PRO 210 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 3g4f h PRO 210 CO 0.94 0.00 -1.52 0.00 -0.21 0.00 0.00 178.00 177.21 3g4f h ARG 211 N 0.00 0.33 -0.28 1.05 3.08 -1.95 -1.72 114.38 114.90 3g4f h ARG 211 Ca 0.23 -0.57 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 3g4f h ARG 211 Cb 0.95 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 3g4f h ARG 211 CO -0.00 1.23 0.02 0.28 -1.07 0.00 0.00 179.97 180.43 3g4f h VAL 212 N 0.09 1.16 0.10 2.04 2.07 -1.88 -2.51 116.25 117.32 3g4f h VAL 212 Ca -0.25 -0.61 -0.27 0.00 0.82 0.00 0.00 66.70 66.39 3g4f h VAL 212 Cb 2.05 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 3g4f h VAL 212 CO 0.19 0.21 -1.29 -0.33 0.02 0.00 0.00 177.57 176.37 3g4f h GLU 213 N 0.41 0.21 -0.22 1.57 4.39 -1.48 -2.99 114.58 116.47 3g4f h GLU 213 Ca 0.09 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.45 3g4f h GLU 213 Cb 0.24 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3g4f h GLU 213 CO 0.00 1.13 0.11 0.00 -1.16 0.00 0.00 179.01 179.09 3g4f h ALA 214 N 0.64 0.27 0.08 3.43 0.00 -1.19 0.13 119.26 122.62 3g4f h ALA 214 Ca -0.15 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3g4f h ALA 214 Cb 1.95 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.66 3g4f h ALA 214 CO 0.18 -0.30 -0.43 -0.09 0.00 0.00 0.00 179.25 178.60 3g4f h ARG 215 N 0.23 -0.62 -0.78 0.00 9.65 -1.46 -1.15 114.38 120.26 3g4f h ARG 215 Ca 0.09 0.04 0.06 0.00 -1.10 0.00 0.00 59.98 59.08 3g4f h ARG 215 Cb 0.03 0.14 -0.06 0.00 -1.39 0.00 0.00 29.97 28.69 3g4f h ARG 215 CO -0.06 -0.41 0.47 1.25 2.80 0.00 0.00 179.97 184.01 3g4f h HIS 216 N -0.64 0.87 0.00 2.20 2.76 -1.37 -1.17 115.15 117.80 3g4f h HIS 216 Ca 0.03 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3g4f h HIS 216 Cb 0.68 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.37 3g4f h HIS 216 CO -0.40 0.43 0.00 0.98 -1.30 0.00 0.00 177.93 177.64 3g4f n TYR 217 N -4.69 0.00 0.02 5.26 9.36 0.44 -2.51 117.16 125.04 3g4f n TYR 217 Ca 0.11 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.15 3g4f n TYR 217 Cb 0.18 -0.45 -0.12 0.00 -0.63 0.00 0.00 39.34 38.32 3g4f n TYR 217 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3g4f h LEU 218 N 0.00 0.53 -0.33 2.98 3.38 0.06 -1.16 115.31 120.77 3g4f h LEU 218 Ca 0.00 -0.82 0.07 0.00 0.09 0.00 0.00 57.88 57.23 3g4f h LEU 218 Cb 0.23 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 3g4f h LEU 218 CO 0.00 1.28 -0.27 0.28 0.09 0.00 0.00 178.44 179.83 3g4f h SER 219 N -0.16 -0.87 1.31 -0.43 0.02 -1.46 -2.36 113.55 109.59 3g4f h SER 219 Ca -0.10 0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 3g4f h SER 219 Cb 1.42 0.42 -0.01 0.00 0.14 0.00 0.00 62.40 64.37 3g4f h SER 219 CO 0.13 -0.29 -0.50 1.62 -1.14 0.00 0.00 176.83 176.66 3g4f h VAL 220 N -0.23 0.91 -0.35 2.27 3.04 -1.62 -3.28 116.25 116.99 3g4f h VAL 220 Ca 0.16 -2.11 -0.13 0.00 -1.01 0.00 0.00 66.70 63.61 3g4f h VAL 220 Cb 0.49 2.33 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 3g4f h VAL 220 CO -0.46 0.49 -0.29 0.22 -1.01 0.00 0.00 177.57 176.51 3g4f h TYR 221 N 0.00 0.96 -0.46 3.17 3.20 -1.00 -3.12 116.97 119.72 3g4f h TYR 221 Ca -0.00 -0.28 0.02 0.00 3.14 0.00 0.00 58.73 61.61 3g4f h TYR 221 Cb 1.29 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 3g4f h TYR 221 CO 0.00 1.05 0.31 0.37 -1.64 0.00 0.00 178.16 178.25 3g4f h GLN 222 N 0.59 0.53 -6.22 1.82 4.15 -1.49 -3.43 115.11 111.07 3g4f h GLN 222 Ca 0.06 -0.03 -0.56 0.00 0.77 0.00 0.00 58.65 58.90 3g4f h GLN 222 Cb 0.87 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 3g4f h GLN 222 CO 0.08 0.35 1.01 -0.51 -1.93 0.00 0.00 178.83 177.83 3g4f s ASP 223 N -6.58 6.78 -0.09 -0.69 -0.00 -1.18 -4.97 116.67 109.94 3g4f s ASP 223 Ca -0.08 2.03 -0.07 0.00 -0.00 0.00 0.00 52.55 54.42 3g4f s ASP 223 Cb 0.18 -2.54 0.03 0.00 -0.00 0.00 0.00 42.92 40.59 3g4f s ASP 223 CO 0.74 -0.86 0.22 -0.70 -0.00 0.00 0.00 175.17 174.57 3g4f s GLU 225 N 3.80 0.24 0.00 8.23 -6.30 -1.26 -4.62 118.70 118.79 3g4f s GLU 225 Ca 0.66 0.34 0.00 0.00 -2.50 0.00 0.00 54.97 53.48 3g4f s GLU 225 Cb -0.29 0.07 0.00 0.00 0.00 0.00 0.00 34.13 33.91 3g4f s GLU 225 CO 0.24 -0.06 0.00 0.45 0.02 0.00 0.00 175.26 175.91 3g4f n SER 226 N 3.23 0.00 -4.70 -1.70 2.88 -1.26 -5.00 113.62 107.07 3g4f n SER 226 Ca -0.15 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 56.95 3g4f n SER 226 Cb 0.57 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.00 3g4f n SER 226 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g4f n HIS 227 N -2.00 2.55 -1.70 0.66 1.44 -1.26 -4.88 115.22 110.03 3g4f n HIS 227 Ca 0.00 0.18 -0.43 0.00 -2.01 0.00 0.00 57.72 55.46 3g4f n HIS 227 Cb 0.00 -2.60 -0.03 0.00 0.12 0.00 0.00 29.99 27.48 3g4f n HIS 227 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 3g4f n ASN 228 N 3.41 3.87 -0.08 4.39 2.85 -1.26 -4.92 115.26 123.52 3g4f n ASN 228 Ca 0.15 1.04 -0.15 0.00 -0.11 0.00 0.00 54.58 55.52 3g4f n ASN 228 Cb 0.33 -1.54 -0.05 0.00 1.24 0.00 0.00 39.78 39.76 3g4f n ASN 228 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3g4f h LYS 229 N 7.16 0.83 0.22 1.20 6.56 -2.00 -3.01 116.57 127.54 3g4f h LYS 229 Ca -0.44 -0.53 -0.00 0.00 -1.06 0.00 0.00 60.65 58.62 3g4f h LYS 229 Cb 1.22 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.91 3g4f h LYS 229 CO 0.94 1.16 -0.39 0.00 -2.06 0.00 0.00 179.45 179.10 3g4f h ALA 230 N 0.67 -0.97 -0.86 3.86 0.00 -2.00 -2.01 119.26 117.95 3g4f h ALA 230 Ca 0.02 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.02 3g4f h ALA 230 Cb 1.11 0.71 -0.12 0.00 0.00 0.00 0.00 17.79 19.50 3g4f h ALA 230 CO 0.11 -1.03 0.35 1.25 0.00 0.00 0.00 179.25 179.93 3g4f h LEU 231 N -0.66 0.28 -0.96 0.00 6.46 -1.95 0.29 115.31 118.77 3g4f h LEU 231 Ca -0.02 0.15 -0.11 0.00 -0.12 0.00 0.00 57.88 57.77 3g4f h LEU 231 Cb 0.61 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 3g4f h LEU 231 CO -0.14 0.01 -0.52 0.25 -0.62 0.00 0.00 178.44 177.42 3g4f h LEU 232 N 0.39 0.01 0.19 2.25 5.85 -1.35 0.85 115.31 123.50 3g4f h LEU 232 Ca 0.52 -0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.96 3g4f h LEU 232 Cb 0.96 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.01 3g4f h LEU 232 CO -0.51 0.52 -1.31 -0.08 -0.34 0.00 0.00 178.44 176.72 3g4f h GLU 233 N 0.00 0.40 -0.58 1.25 4.81 -0.37 -2.65 114.58 117.44 3g4f h GLU 233 Ca -0.00 -0.68 0.11 0.00 -0.13 0.00 0.00 59.36 58.66 3g4f h GLU 233 Cb 0.92 0.25 -0.09 0.00 0.63 0.00 0.00 28.75 30.47 3g4f h GLU 233 CO 0.07 1.32 0.10 0.35 -0.73 0.00 0.00 179.01 180.12 3g4f h PHE 234 N -0.09 0.15 -0.50 0.92 3.57 -0.27 -1.49 116.94 119.22 3g4f h PHE 234 Ca -0.25 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.19 3g4f h PHE 234 Cb 1.93 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.68 3g4f h PHE 234 CO 0.15 -0.05 -0.08 0.00 -2.23 0.00 0.00 178.31 176.10 3g4f h ALA 235 N 1.48 0.68 -0.72 2.41 0.00 -0.91 -1.81 119.26 120.39 3g4f h ALA 235 Ca 0.30 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3g4f h ALA 235 Cb 0.45 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3g4f h ALA 235 CO -0.41 0.56 0.47 0.87 0.00 0.00 0.00 179.25 180.74 3g4f h LYS 236 N 0.79 0.87 0.15 0.00 1.57 -1.00 -1.94 116.57 117.01 3g4f h LYS 236 Ca 0.13 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3g4f h LYS 236 Cb 0.62 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3g4f h LYS 236 CO 0.04 0.57 -0.07 0.82 -0.57 0.00 0.00 179.45 180.24 3g4f h ILE 237 N 0.89 0.79 -0.89 1.86 2.04 -1.09 -3.20 117.51 117.90 3g4f h ILE 237 Ca 0.28 -1.18 0.20 0.00 1.00 0.00 0.00 64.86 65.17 3g4f h ILE 237 Cb 0.02 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 3g4f h ILE 237 CO -0.08 0.22 0.59 -0.78 0.00 0.00 0.00 178.15 178.10 3g4f h ASP 238 N -0.90 0.39 -0.33 1.72 -0.00 -1.21 0.26 116.42 116.34 3g4f h ASP 238 Ca -0.02 0.04 0.02 0.00 -0.00 0.00 0.00 57.03 57.07 3g4f h ASP 238 Cb 0.51 -0.03 -0.03 0.00 -0.00 0.00 0.00 39.33 39.78 3g4f h ASP 238 CO 0.03 0.16 0.17 0.15 -0.00 0.00 0.00 179.24 179.75 3g4f h PHE 239 N 0.39 0.32 -0.28 0.28 3.04 -1.38 -0.30 116.94 119.00 3g4f h PHE 239 Ca 0.46 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.33 3g4f h PHE 239 Cb 1.18 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.58 3g4f h PHE 239 CO -0.00 0.18 -0.20 -0.91 -2.02 0.00 0.00 178.31 175.36 3g4f h ASN 240 N 0.36 0.66 -0.99 0.41 2.35 -0.59 0.17 115.58 117.95 3g4f h ASN 240 Ca 0.14 -0.44 0.21 0.00 -0.55 0.00 0.00 56.30 55.66 3g4f h ASN 240 Cb 0.04 -0.18 -0.10 0.00 0.05 0.00 0.00 38.32 38.13 3g4f h ASN 240 CO -0.09 0.96 0.62 0.24 -1.65 0.00 0.00 177.43 177.51 3g4f h MET 241 N 0.36 0.59 0.10 0.81 2.86 -0.71 0.50 114.93 119.44 3g4f h MET 241 Ca 0.06 -0.04 -0.31 0.00 -2.06 0.00 0.00 59.70 57.35 3g4f h MET 241 Cb 0.74 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3g4f h MET 241 CO 0.05 0.39 -1.59 -0.07 1.06 0.00 0.00 176.91 176.75 3g4f h LEU 242 N 0.60 0.33 -0.93 1.22 3.38 -0.82 -2.87 115.31 116.22 3g4f h LEU 242 Ca 0.56 -0.51 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3g4f h LEU 242 Cb 1.10 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3g4f h LEU 242 CO -0.33 1.43 -0.20 -0.61 0.09 0.00 0.00 178.44 178.82 3g4f h GLN 243 N 0.06 0.55 0.70 1.13 4.15 -0.05 -0.04 115.11 121.60 3g4f h GLN 243 Ca -0.26 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 58.93 3g4f h GLN 243 Cb 2.01 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.66 3g4f h GLN 243 CO 0.14 0.72 -0.36 0.35 -1.93 0.00 0.00 178.83 177.75 3g4f h PHE 244 N 0.49 -0.93 -0.75 3.99 3.57 -0.99 -0.29 116.94 122.02 3g4f h PHE 244 Ca 0.08 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.68 3g4f h PHE 244 Cb 0.62 0.31 -0.13 0.00 2.79 0.00 0.00 35.95 39.55 3g4f h PHE 244 CO 0.02 -0.57 -0.37 1.25 -2.23 0.00 0.00 178.31 176.42 3g4f h LEU 245 N -0.97 -1.30 -1.33 0.59 5.85 -1.26 0.66 115.31 117.55 3g4f h LEU 245 Ca -0.09 0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3g4f h LEU 245 Cb 0.75 0.66 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 3g4f h LEU 245 CO 0.14 -0.30 0.07 0.45 -0.34 0.00 0.00 178.44 178.46 3g4f h HIS 246 N -0.10 0.53 -0.35 1.25 3.86 -0.91 -2.63 115.15 116.80 3g4f h HIS 246 Ca 0.27 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3g4f h HIS 246 Cb 0.57 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 3g4f h HIS 246 CO -0.74 0.48 0.15 0.00 0.86 0.00 0.00 177.93 178.68 3g4f h ARG 247 N 0.51 0.51 -0.01 2.45 2.47 0.94 -1.96 114.38 119.29 3g4f h ARG 247 Ca 0.12 -0.09 0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3g4f h ARG 247 Cb 0.23 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 3g4f h ARG 247 CO -0.00 0.49 -0.17 0.87 0.56 0.00 0.00 179.97 181.71 3g4f h LYS 248 N 0.42 -0.21 -0.97 0.04 1.57 -1.01 0.17 116.57 116.58 3g4f h LYS 248 Ca 0.12 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.16 3g4f h LYS 248 Cb 0.16 0.05 -0.18 0.00 0.08 0.00 0.00 32.23 32.34 3g4f h LYS 248 CO -0.01 -0.14 -0.02 0.93 -0.57 0.00 0.00 179.45 179.64 3g4f h GLU 249 N -0.22 0.02 -0.10 3.15 5.08 -1.46 0.49 114.58 121.54 3g4f h GLU 249 Ca 0.00 -0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 3g4f h GLU 249 Cb 0.23 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3g4f h GLU 249 CO -0.12 0.01 -0.54 1.25 -1.00 0.00 0.00 179.01 178.61 3g4f h LEU 250 N 0.02 0.31 0.92 1.33 5.85 -1.02 -1.04 115.31 121.68 3g4f h LEU 250 Ca 0.56 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 59.07 3g4f h LEU 250 Cb 1.10 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3g4f h LEU 250 CO -0.91 0.80 -0.48 -1.28 -0.34 0.00 0.00 178.44 176.22 3g4f h SER 251 N 0.22 -1.17 -0.20 1.25 0.87 0.28 0.50 113.55 115.30 3g4f h SER 251 Ca 0.00 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 3g4f h SER 251 Cb 1.02 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 3g4f h SER 251 CO 0.09 -0.79 0.44 -0.33 -0.53 0.00 0.00 176.83 175.71 3g4f h GLU 252 N -1.29 0.00 0.07 2.24 5.08 -0.49 -1.04 114.58 119.15 3g4f h GLU 252 Ca -0.12 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.89 3g4f h GLU 252 Cb 1.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3g4f h GLU 252 CO 0.18 0.00 -1.93 -0.89 -1.00 0.00 0.00 179.01 175.36 3g4f n ILE 253 N -3.22 1.66 -0.12 3.13 5.41 -0.41 -2.87 119.36 122.95 3g4f n ILE 253 Ca 0.03 -0.47 0.01 0.00 1.00 0.00 0.00 62.75 63.31 3g4f n ILE 253 Cb 0.55 -1.77 0.29 0.00 -0.71 0.00 0.00 39.64 37.99 3g4f n ILE 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g4f h ARG 255 N 0.80 0.30 -0.86 0.00 9.65 -1.36 -1.35 114.38 121.55 3g4f h ARG 255 Ca 0.21 -0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.11 3g4f h ARG 255 Cb 0.00 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.48 3g4f h ARG 255 CO -0.04 0.35 0.56 2.35 2.80 0.00 0.00 179.97 186.00 3g4f h TRP 256 N 0.18 0.95 0.00 2.20 7.01 -1.30 -2.45 115.95 122.55 3g4f h TRP 256 Ca 0.07 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 3g4f h TRP 256 Cb 0.16 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 3g4f h TRP 256 CO -0.01 0.48 -0.16 2.35 -2.79 0.00 0.00 178.44 178.30 3g4f h TRP 257 N 0.92 0.00 -0.04 2.65 2.91 -1.07 -3.26 115.95 118.06 3g4f h TRP 257 Ca 0.38 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.40 3g4f h TRP 257 Cb 0.29 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 3g4f h TRP 257 CO -0.00 0.16 0.00 -0.22 -1.03 0.00 0.00 178.44 177.35 3g4f h LYS 258 N 0.00 0.07 -0.64 2.65 3.11 -0.75 -3.18 116.57 117.83 3g4f h LYS 258 Ca -0.00 -0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.87 3g4f h LYS 258 Cb 1.09 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 32.27 3g4f h LYS 258 CO 0.02 0.34 0.43 -0.44 -2.81 0.00 0.00 179.45 176.99 3g4f h ASP 259 N -0.20 0.58 -0.53 4.20 5.19 -1.58 -1.18 116.42 122.89 3g4f h ASP 259 Ca 0.01 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.52 3g4f h ASP 259 Cb 0.31 -0.12 -0.08 0.00 0.18 0.00 0.00 39.33 39.61 3g4f h ASP 259 CO 0.00 0.38 0.05 -0.07 -3.12 0.00 0.00 179.24 176.48 3g4f h LEU 260 N 0.66 -0.13 -2.04 1.55 -0.00 -1.62 -3.46 115.31 110.26 3g4f h LEU 260 Ca 0.27 0.12 -0.20 0.00 -0.00 0.00 0.00 57.88 58.07 3g4f h LEU 260 Cb 0.24 0.19 0.12 0.00 -0.00 0.00 0.00 40.66 41.21 3g4f h LEU 260 CO -0.08 -0.04 -0.53 -0.67 -0.00 0.00 0.00 178.44 177.11 3g4f n ASP 261 N -5.19 -2.99 -0.01 -0.43 2.03 -0.45 -4.87 116.55 104.64 3g4f n ASP 261 Ca 0.07 -0.43 0.08 0.00 0.52 0.00 0.00 54.79 55.02 3g4f n ASP 261 Cb 0.29 -3.61 0.46 0.00 -0.72 0.00 0.00 41.12 37.54 3g4f n ASP 261 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3g4f n PHE 262 N -2.95 0.00 -0.03 -0.67 3.72 -1.26 -2.87 117.46 113.40 3g4f n PHE 262 Ca -0.15 -0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.12 3g4f n PHE 262 Cb 0.60 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.03 3g4f n PHE 262 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3g4f h GLN 263 N 0.04 -0.02 -0.07 -1.08 4.15 -1.89 -2.83 115.11 113.40 3g4f h GLN 263 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3g4f h GLN 263 Cb 0.01 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3g4f h GLN 263 CO 0.00 0.67 0.00 2.89 -1.93 0.00 0.00 178.83 180.46 3g4f n ARG 264 N -4.76 2.33 -0.08 1.69 1.85 -1.23 -4.42 116.66 112.04 3g4f n ARG 264 Ca -0.09 -1.96 -0.10 0.00 -1.00 0.00 0.00 57.85 54.70 3g4f n ARG 264 Cb 0.35 -1.46 -0.09 0.00 -1.05 0.00 0.00 32.46 30.21 3g4f n ARG 264 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3g4f n LYS 265 N 1.36 0.91 -3.94 2.89 5.02 -1.14 -4.86 118.16 118.40 3g4f n LYS 265 Ca 0.15 0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 56.20 3g4f n LYS 265 Cb 0.60 -1.33 -0.14 0.00 -0.02 0.00 0.00 35.03 34.13 3g4f n LYS 265 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3g4f s LEU 266 N -5.63 4.24 0.57 -0.35 1.43 -1.07 -4.98 118.68 112.89 3g4f s LEU 266 Ca -0.17 -2.99 0.28 0.00 -1.03 0.00 0.00 54.13 50.21 3g4f s LEU 266 Cb 0.05 -1.61 1.71 0.00 0.03 0.00 0.00 46.19 46.37 3g4f s LEU 266 CO 0.43 -0.23 2.22 1.55 0.23 0.00 0.00 176.35 180.55 3g4f h PRO 267 N 6.51 0.00 0.00 1.29 0.13 -1.80 -3.11 132.00 135.03 3g4f h PRO 267 Ca -0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 3g4f h PRO 267 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 3g4f h PRO 267 CO 0.68 0.02 -1.23 2.48 -0.23 0.00 0.00 178.00 179.72 3g4f n TYR 268 N -3.89 0.86 -1.36 1.56 4.11 -1.26 -0.52 117.16 116.66 3g4f n TYR 268 Ca -0.03 0.26 -0.34 0.00 -0.00 0.00 0.00 57.90 57.79 3g4f n TYR 268 Cb 0.11 -0.95 0.10 0.00 -0.00 0.00 0.00 39.34 38.60 3g4f n TYR 268 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3g4f s ALA 269 N -3.26 2.06 0.35 -3.48 0.00 -1.17 -4.87 121.76 111.39 3g4f s ALA 269 Ca -0.02 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3g4f s ALA 269 Cb 0.10 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3g4f s ALA 269 CO 0.81 -1.97 0.00 0.54 0.00 0.00 0.00 175.76 175.13 3g4f n ARG 270 N -2.85 1.39 -3.70 0.00 1.74 -1.26 -2.98 116.66 109.00 3g4f n ARG 270 Ca 0.13 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.94 3g4f n ARG 270 Cb 0.50 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.78 3g4f n ARG 270 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3g4f s ASP 271 N -1.00 2.95 -0.05 0.55 -1.08 -1.26 -4.44 116.67 112.34 3g4f s ASP 271 Ca 0.00 -0.89 0.13 0.00 -0.52 0.00 0.00 52.55 51.28 3g4f s ASP 271 Cb 0.00 -0.54 0.25 0.00 -1.46 0.00 0.00 42.92 41.17 3g4f s ASP 271 CO 0.00 -0.33 1.11 0.54 0.52 0.00 0.00 175.17 177.01 3g4f n ARG 272 N 5.08 0.41 -0.16 4.34 5.12 -1.26 -4.66 116.66 125.53 3g4f n ARG 272 Ca -0.08 -1.90 0.05 0.00 -1.93 0.00 0.00 57.85 53.99 3g4f n ARG 272 Cb 0.47 -0.63 0.34 0.00 -1.16 0.00 0.00 32.46 31.47 3g4f n ARG 272 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3g4f h VAL 273 N 5.12 1.07 -0.10 1.55 2.07 -1.97 0.97 116.25 124.96 3g4f h VAL 273 Ca -0.08 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 3g4f h VAL 273 Cb 1.46 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3g4f h VAL 273 CO 0.03 0.14 -0.49 0.58 0.02 0.00 0.00 177.57 177.86 3g4f h VAL 274 N 0.79 1.37 -0.66 2.57 2.07 -1.99 0.14 116.25 120.53 3g4f h VAL 274 Ca 0.28 -1.82 0.05 0.00 0.82 0.00 0.00 66.70 66.03 3g4f h VAL 274 Cb 0.13 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 3g4f h VAL 274 CO -0.08 0.54 0.38 -0.33 0.02 0.00 0.00 177.57 178.10 3g4f h GLU 275 N 0.09 0.70 -0.23 1.57 3.07 -1.80 -1.39 114.58 116.59 3g4f h GLU 275 Ca -0.03 -0.04 0.05 0.00 -0.50 0.00 0.00 59.36 58.84 3g4f h GLU 275 Cb 1.13 -0.16 -0.07 0.00 -0.84 0.00 0.00 28.75 28.81 3g4f h GLU 275 CO 0.10 0.46 -0.41 0.78 -1.40 0.00 0.00 179.01 178.55 3g4f h GLY 276 N 0.72 -0.61 0.45 -3.84 0.00 0.14 -0.33 103.07 99.60 3g4f h GLY 276 Ca 0.29 0.51 0.11 0.00 0.00 0.00 0.00 47.33 48.23 3g4f h GLY 276 CO -0.16 -0.21 0.45 -1.82 0.00 0.00 0.00 176.54 174.81 3g4f h TYR 277 N -0.42 0.81 -0.66 5.60 3.20 -0.39 -2.19 116.97 122.93 3g4f h TYR 277 Ca 0.10 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 3g4f h TYR 277 Cb 0.60 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 3g4f h TYR 277 CO -0.52 0.30 0.27 0.35 -1.64 0.00 0.00 178.16 176.92 3g4f h PHE 278 N 0.73 1.00 0.45 -3.82 3.57 -0.00 0.21 116.94 119.09 3g4f h PHE 278 Ca 0.41 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 3g4f h PHE 278 Cb 0.43 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3g4f h PHE 278 CO -0.07 0.78 -0.40 -1.49 -2.23 0.00 0.00 178.31 174.89 3g4f h TRP 279 N 0.93 -1.10 -0.91 0.41 6.55 -0.80 -2.84 115.95 118.19 3g4f h TRP 279 Ca 0.22 0.00 0.18 0.00 0.95 0.00 0.00 58.89 60.25 3g4f h TRP 279 Cb 0.19 0.42 -0.11 0.00 -0.86 0.00 0.00 29.16 28.81 3g4f h TRP 279 CO 0.01 -0.55 0.48 0.82 -1.05 0.00 0.00 178.44 178.16 3g4f h ILE 280 N -0.84 0.65 0.00 1.49 1.08 -1.30 -0.59 117.51 117.99 3g4f h ILE 280 Ca -0.06 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 3g4f h ILE 280 Cb 0.71 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 3g4f h ILE 280 CO -0.02 0.11 0.00 0.77 -0.69 0.00 0.00 178.15 178.32 3g4f h SER 281 N 0.60 0.00 0.43 1.72 4.64 -0.84 -1.70 113.55 118.41 3g4f h SER 281 Ca 0.53 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.54 3g4f h SER 281 Cb 0.86 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.97 3g4f h SER 281 CO -0.42 0.00 -1.40 1.23 -0.87 0.00 0.00 176.83 175.38 3g4f h GLY 282 N 1.56 0.47 -0.12 -0.77 0.00 -0.86 -2.99 103.07 100.34 3g4f h GLY 282 Ca 0.00 -1.19 0.07 0.00 0.00 0.00 0.00 47.33 46.21 3g4f h GLY 282 CO 0.00 1.04 -0.35 -2.08 0.00 0.00 0.00 176.54 175.15 3g4f h VAL 283 N 0.11 0.21 -2.73 4.60 2.07 -1.08 -3.43 116.25 115.99 3g4f h VAL 283 Ca -0.21 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.19 3g4f h VAL 283 Cb 2.08 0.21 -0.24 0.00 -1.52 0.00 0.00 31.29 31.81 3g4f h VAL 283 CO 0.24 0.00 -0.25 -0.72 0.02 0.00 0.00 177.57 176.86 3g4f s TYR 284 N -5.96 -0.47 -0.19 1.57 -0.85 -1.07 -4.73 117.35 105.65 3g4f s TYR 284 Ca -0.15 1.13 0.00 0.00 -0.52 0.00 0.00 57.07 57.53 3g4f s TYR 284 Cb 0.12 0.17 -0.12 0.00 0.38 0.00 0.00 41.96 42.51 3g4f s TYR 284 CO 0.67 -0.23 -0.18 1.97 -1.52 0.00 0.00 175.55 176.25 3g4f n PHE 285 N 3.06 0.00 -0.66 -3.49 1.16 -1.13 -4.46 117.46 111.94 3g4f n PHE 285 Ca -0.15 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.21 3g4f n PHE 285 Cb 0.57 -0.74 0.01 0.00 -1.61 0.00 0.00 39.48 37.72 3g4f n PHE 285 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3g4f n GLU 286 N -3.15 0.00 0.01 3.97 4.71 -1.26 -4.84 120.64 120.09 3g4f n GLU 286 Ca -0.34 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 56.67 3g4f n GLU 286 Cb 0.85 -0.59 -0.02 0.00 -1.01 0.00 0.00 31.44 30.68 3g4f n GLU 286 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3g4f h PRO 287 N -0.30 0.59 0.00 3.49 0.11 -1.98 -2.93 132.00 130.99 3g4f h PRO 287 Ca -0.25 -0.48 0.00 0.00 0.11 0.00 0.00 66.00 65.38 3g4f h PRO 287 Cb 0.81 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3g4f h PRO 287 CO 0.19 1.10 0.00 0.00 -0.21 0.00 0.00 178.00 179.08 3g4f n GLN 288 N -3.89 0.08 -0.83 1.05 10.64 -1.26 -0.27 117.38 122.90 3g4f n GLN 288 Ca -0.06 0.55 0.08 0.00 -1.83 0.00 0.00 57.00 55.73 3g4f n GLN 288 Cb 0.72 -1.75 0.39 0.00 -0.86 0.00 0.00 30.24 28.74 3g4f n GLN 288 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3g4f n TYR 289 N -1.93 1.94 -0.20 2.61 4.01 -1.10 -4.45 117.16 118.04 3g4f n TYR 289 Ca -0.00 -0.71 -0.07 0.00 -0.16 0.00 0.00 57.90 56.95 3g4f n TYR 289 Cb 0.05 -0.46 -0.02 0.00 -0.31 0.00 0.00 39.34 38.60 3g4f n TYR 289 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3g4f h SER 290 N 3.96 -1.32 -0.24 7.72 0.87 -0.78 0.30 113.55 124.05 3g4f h SER 290 Ca 0.00 0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3g4f h SER 290 Cb 1.87 0.62 -0.01 0.00 -0.44 0.00 0.00 62.40 64.44 3g4f h SER 290 CO 0.44 -0.32 0.15 0.25 -0.53 0.00 0.00 176.83 176.81 3g4f h LEU 291 N -0.21 0.31 0.14 2.23 6.46 -1.83 -2.87 115.31 119.54 3g4f h LEU 291 Ca 0.20 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3g4f h LEU 291 Cb 0.56 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 3g4f h LEU 291 CO -0.67 0.25 -0.07 1.23 -0.62 0.00 0.00 178.44 178.56 3g4f h GLY 292 N 0.41 -0.20 1.56 3.75 0.00 -0.66 -2.62 103.07 105.31 3g4f h GLY 292 Ca 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 3g4f h GLY 292 CO -0.02 -0.07 0.13 3.21 0.00 0.00 0.00 176.54 179.79 3g4f h ARG 293 N -0.49 0.57 -0.41 4.80 3.08 -1.21 0.14 114.38 120.85 3g4f h ARG 293 Ca -0.02 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.96 3g4f h ARG 293 Cb 0.39 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3g4f h ARG 293 CO 0.03 0.49 0.26 -0.22 -1.07 0.00 0.00 179.97 179.46 3g4f h LYS 294 N 0.56 0.50 0.10 0.04 1.63 -1.40 0.11 116.57 118.12 3g4f h LYS 294 Ca 0.14 -0.03 -0.28 0.00 -0.85 0.00 0.00 60.65 59.63 3g4f h LYS 294 Cb 0.16 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 3g4f h LYS 294 CO -0.01 0.33 -1.34 0.52 -3.45 0.00 0.00 179.45 175.50 3g4f h MET 295 N 0.52 0.21 -0.16 1.90 2.86 -1.11 -3.20 114.93 115.95 3g4f h MET 295 Ca 0.16 -0.36 -0.16 0.00 -2.06 0.00 0.00 59.70 57.27 3g4f h MET 295 Cb -0.02 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3g4f h MET 295 CO -0.06 1.12 -0.57 1.25 1.06 0.00 0.00 176.91 179.70 3g4f h LEU 296 N 0.06 0.57 0.26 1.22 5.85 -0.53 -1.94 115.31 120.81 3g4f h LEU 296 Ca -0.16 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3g4f h LEU 296 Cb 1.96 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 3g4f h LEU 296 CO 0.17 1.02 -0.14 0.74 -0.34 0.00 0.00 178.44 179.89 3g4f h THR 297 N 0.39 0.70 -0.63 1.05 2.02 -0.90 0.95 112.91 116.49 3g4f h THR 297 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 3g4f h THR 297 Cb 1.12 0.70 -0.12 0.00 -1.74 0.00 0.00 68.15 68.11 3g4f h THR 297 CO 0.11 0.00 -0.34 0.11 0.37 0.00 0.00 175.52 175.77 3g4f h LYS 298 N -0.38 -0.14 -0.61 6.66 1.57 -1.50 -0.11 116.57 122.07 3g4f h LYS 298 Ca -0.03 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3g4f h LYS 298 Cb 0.30 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3g4f h LYS 298 CO 0.04 -0.09 0.24 0.28 -0.57 0.00 0.00 179.45 179.35 3g4f h VAL 299 N -0.14 1.23 -0.49 0.50 2.07 -1.04 -2.10 116.25 116.27 3g4f h VAL 299 Ca 0.24 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 3g4f h VAL 299 Cb 0.55 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3g4f h VAL 299 CO -0.71 0.28 0.29 -0.29 0.02 0.00 0.00 177.57 177.16 3g4f h ILE 300 N 0.84 1.14 0.62 4.57 2.10 0.19 0.38 117.51 127.37 3g4f h ILE 300 Ca 0.20 -0.33 -0.03 0.00 1.08 0.00 0.00 64.86 65.79 3g4f h ILE 300 Cb 0.21 0.46 0.01 0.00 -1.09 0.00 0.00 36.82 36.40 3g4f h ILE 300 CO -0.02 0.15 -0.30 0.00 -1.08 0.00 0.00 178.15 176.91 3g4f h ALA 301 N 1.65 -0.84 -0.92 0.18 0.00 -0.42 0.46 119.26 119.36 3g4f h ALA 301 Ca 0.18 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.06 3g4f h ALA 301 Cb -0.02 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 3g4f h ALA 301 CO -0.03 -0.89 0.59 0.52 0.00 0.00 0.00 179.25 179.44 3g4f h MET 302 N -0.99 0.59 0.59 0.00 2.86 -1.25 0.76 114.93 117.49 3g4f h MET 302 Ca -0.09 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 3g4f h MET 302 Cb 0.68 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3g4f h MET 302 CO 0.14 0.39 -0.44 0.00 1.06 0.00 0.00 176.91 178.06 3g4f h ALA 303 N 1.61 -1.06 -0.44 6.32 0.00 0.22 -0.47 119.26 125.44 3g4f h ALA 303 Ca 0.48 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.29 3g4f h ALA 303 Cb 0.91 0.59 -0.10 0.00 0.00 0.00 0.00 17.79 19.19 3g4f h ALA 303 CO -0.23 -1.12 -0.28 0.77 0.00 0.00 0.00 179.25 178.39 3g4f h SER 304 N -1.00 -0.93 -1.00 0.00 0.02 -0.07 0.66 113.55 111.24 3g4f h SER 304 Ca -0.07 0.19 0.16 0.00 -0.84 0.00 0.00 61.79 61.22 3g4f h SER 304 Cb 0.84 0.47 -0.10 0.00 0.14 0.00 0.00 62.40 63.75 3g4f h SER 304 CO 0.02 -0.29 0.61 0.40 -1.14 0.00 0.00 176.83 176.44 3g4f h ILE 305 N -0.19 0.80 -0.04 3.27 1.08 -0.59 -0.77 117.51 121.07 3g4f h ILE 305 Ca 0.20 -0.30 -0.21 0.00 -0.39 0.00 0.00 64.86 64.16 3g4f h ILE 305 Cb 0.51 -0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.12 3g4f h ILE 305 CO -0.55 0.16 -0.85 0.58 -0.69 0.00 0.00 178.15 176.80 3g4f h VAL 306 N 0.86 1.39 0.00 1.67 2.07 0.70 -2.48 116.25 120.46 3g4f h VAL 306 Ca 0.54 -2.31 -0.04 0.00 0.82 0.00 0.00 66.70 65.70 3g4f h VAL 306 Cb 0.70 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 3g4f h VAL 306 CO -0.33 0.69 -0.21 -0.78 0.02 0.00 0.00 177.57 176.97 3g4f h ASP 307 N 0.26 0.00 0.14 0.57 -0.00 0.36 -2.95 116.42 114.79 3g4f h ASP 307 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 56.97 3g4f h ASP 307 Cb 1.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.79 3g4f h ASP 307 CO 0.15 0.21 -0.07 0.44 -0.00 0.00 0.00 179.24 179.97 3g4f h ASP 308 N 0.00 -0.16 -0.98 2.28 3.32 -1.05 -3.22 116.42 116.61 3g4f h ASP 308 Ca -0.00 -0.39 0.18 0.00 0.02 0.00 0.00 57.03 56.84 3g4f h ASP 308 Cb 0.46 0.04 -0.18 0.00 0.22 0.00 0.00 39.33 39.87 3g4f h ASP 308 CO 0.03 0.39 -0.29 0.74 -1.72 0.00 0.00 179.24 178.39 3g4f h THR 309 N -0.79 0.01 0.00 0.35 2.02 -1.28 1.61 112.91 114.83 3g4f h THR 309 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3g4f h THR 309 Cb 0.54 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3g4f h THR 309 CO 0.03 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.70 3g4f n TYR 310 N -5.58 0.00 0.05 3.16 4.02 -1.16 -2.81 117.16 114.84 3g4f n TYR 310 Ca 0.14 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 58.04 3g4f n TYR 310 Cb 0.47 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.70 3g4f n TYR 310 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3g4f n ASP 311 N -1.07 2.03 -2.53 7.72 8.00 0.54 -4.82 116.55 126.42 3g4f n ASP 311 Ca 0.06 -0.31 -0.07 0.00 0.71 0.00 0.00 54.79 55.18 3g4f n ASP 311 Cb 0.04 1.04 0.05 0.00 -0.02 0.00 0.00 41.12 42.23 3g4f n ASP 311 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3g4f n SER 312 N -1.27 0.10 -0.92 -2.24 3.41 -0.78 -4.84 113.62 107.08 3g4f n SER 312 Ca 0.00 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 3g4f n SER 312 Cb 0.04 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 3g4f n SER 312 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3g4f n TYR 313 N -2.32 0.00 -2.19 7.33 4.01 -1.26 -4.67 117.16 118.06 3g4f n TYR 313 Ca 0.04 -0.10 -0.43 0.00 -0.16 0.00 0.00 57.90 57.26 3g4f n TYR 313 Cb 0.15 -0.12 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 3g4f n TYR 313 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3g4f s ALA 314 N 0.49 3.49 0.72 -0.72 0.00 -1.26 -5.00 121.76 119.49 3g4f s ALA 314 Ca 0.00 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 3g4f s ALA 314 Cb 0.00 -3.75 0.03 0.00 0.00 0.00 0.00 23.12 19.39 3g4f s ALA 314 CO 0.00 -1.56 1.07 0.95 0.00 0.00 0.00 175.76 176.22 3g4f s THR 315 N 4.32 3.77 -0.19 0.00 -4.23 -1.26 -4.88 115.64 113.17 3g4f s THR 315 Ca 0.66 0.57 0.29 0.00 -1.18 0.00 0.00 61.69 62.04 3g4f s THR 315 Cb -0.26 -3.27 0.33 0.00 1.34 0.00 0.00 72.50 70.64 3g4f s THR 315 CO 0.25 -0.75 1.85 0.22 -0.54 0.00 0.00 174.62 175.65 3g4f h TYR 316 N -0.85 0.00 0.00 3.99 3.20 -1.97 -1.27 116.97 120.07 3g4f h TYR 316 Ca -0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3g4f h TYR 316 Cb 1.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.49 3g4f h TYR 316 CO 0.59 0.00 -1.10 0.39 -1.64 0.00 0.00 178.16 176.40 3g4f n GLU 317 N -2.71 0.57 -0.03 1.82 4.71 -1.26 -2.50 120.64 121.24 3g4f n GLU 317 Ca 0.02 0.07 -0.17 0.00 -0.01 0.00 0.00 57.16 57.07 3g4f n GLU 317 Cb 0.29 -1.77 -0.08 0.00 -1.01 0.00 0.00 31.44 28.87 3g4f n GLU 317 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3g4f h GLU 318 N 0.00 0.67 -0.82 3.49 5.08 -1.81 -3.33 114.58 117.86 3g4f h GLU 318 Ca 0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3g4f h GLU 318 Cb 0.97 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 3g4f h GLU 318 CO 0.00 1.15 0.52 -0.07 -1.00 0.00 0.00 179.01 179.62 3g4f h LEU 319 N 0.35 0.96 -0.98 1.33 3.38 -1.24 -3.03 115.31 116.08 3g4f h LEU 319 Ca -0.04 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3g4f h LEU 319 Cb 1.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3g4f h LEU 319 CO 0.13 0.71 0.03 0.16 0.09 0.00 0.00 178.44 179.56 3g4f h ILE 320 N 1.12 1.23 0.00 1.22 -0.00 -1.59 0.12 117.51 119.61 3g4f h ILE 320 Ca 0.30 -0.93 0.00 0.00 -0.00 0.00 0.00 64.86 64.23 3g4f h ILE 320 Cb -0.09 0.84 0.00 0.00 -0.00 0.00 0.00 36.82 37.56 3g4f h ILE 320 CO -0.06 0.33 0.00 -0.65 -0.00 0.00 0.00 178.15 177.77 3g4f h PRO 321 N 0.72 0.00 0.39 0.16 0.11 -1.73 -1.06 132.00 130.60 3g4f h PRO 321 Ca 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 3g4f h PRO 321 Cb 0.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3g4f h PRO 321 CO 0.01 0.00 -0.19 -0.92 -0.21 0.00 0.00 178.00 176.70 3g4f h TYR 322 N 0.00 -0.48 -0.64 0.65 3.20 -1.13 -0.46 116.97 118.11 3g4f h TYR 322 Ca 0.00 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.99 3g4f h TYR 322 Cb 0.83 0.16 -0.12 0.00 1.54 0.00 0.00 36.73 39.14 3g4f h TYR 322 CO 0.00 -0.29 -0.13 1.15 -1.64 0.00 0.00 178.16 177.25 3g4f h THR 323 N -1.13 0.38 -0.65 1.81 2.02 -0.84 0.43 112.91 114.93 3g4f h THR 323 Ca -0.05 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.15 3g4f h THR 323 Cb 0.41 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 3g4f h THR 323 CO 0.09 0.00 0.40 -1.13 0.37 0.00 0.00 175.52 175.25 3g4f h ASN 324 N 0.02 0.65 -0.37 4.18 -0.00 -1.23 -0.42 115.58 118.41 3g4f h ASN 324 Ca 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.60 3g4f h ASN 324 Cb 0.48 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 38.65 3g4f h ASN 324 CO -0.64 0.45 0.20 0.00 -0.00 0.00 0.00 177.43 177.44 3g4f h ALA 325 N 1.28 1.59 -0.06 1.57 0.00 0.75 -1.31 119.26 123.08 3g4f h ALA 325 Ca 0.26 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3g4f h ALA 325 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3g4f h ALA 325 CO -0.11 0.34 -0.69 0.82 0.00 0.00 0.00 179.25 179.61 3g4f h ILE 326 N 0.56 1.40 -0.24 0.00 2.04 0.43 0.54 117.51 122.25 3g4f h ILE 326 Ca 0.14 -2.14 -0.03 0.00 1.00 0.00 0.00 64.86 63.83 3g4f h ILE 326 Cb 0.06 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3g4f h ILE 326 CO -0.02 0.63 0.04 -0.33 0.00 0.00 0.00 178.15 178.47 3g4f h GLU 327 N 0.19 0.40 -0.22 2.37 5.08 -0.53 -3.10 114.58 118.77 3g4f h GLU 327 Ca -0.02 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 3g4f h GLU 327 Cb 1.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3g4f h GLU 327 CO 0.11 0.53 -0.38 0.00 -1.00 0.00 0.00 179.01 178.27 3g4f h ARG 328 N 0.21 0.50 -6.39 2.33 3.08 -1.28 -3.49 114.38 109.35 3g4f h ARG 328 Ca 0.07 -0.25 -0.35 0.00 0.07 0.00 0.00 59.98 59.53 3g4f h ARG 328 Cb 0.33 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.38 3g4f h ARG 328 CO 0.00 0.81 -1.00 1.87 -1.07 0.00 0.00 179.97 180.58 3g4f n TRP 329 N -4.04 -2.59 -3.68 3.04 -0.00 0.18 -5.03 117.44 105.33 3g4f n TRP 329 Ca -0.01 1.06 -0.12 0.00 -0.00 0.00 0.00 57.50 58.43 3g4f n TRP 329 Cb 0.50 -2.56 -0.06 0.00 -0.00 0.00 0.00 31.31 29.19 3g4f n TRP 329 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3g4f s ASP 330 N -2.24 -0.25 0.56 5.87 -1.08 -1.26 -5.03 116.67 113.25 3g4f s ASP 330 Ca 0.21 -0.09 0.34 0.00 -0.52 0.00 0.00 52.55 52.49 3g4f s ASP 330 Cb -0.03 0.42 1.43 0.00 -1.46 0.00 0.00 42.92 43.29 3g4f s ASP 330 CO 0.86 -0.69 2.01 -0.29 0.52 0.00 0.00 175.17 177.58 3g4f h ILE 331 N 2.94 0.02 0.00 4.11 2.10 -1.98 -2.07 117.51 122.63 3g4f h ILE 331 Ca -0.32 -0.49 -0.01 0.00 1.08 0.00 0.00 64.86 65.12 3g4f h ILE 331 Cb 1.21 1.48 -0.00 0.00 -1.09 0.00 0.00 36.82 38.42 3g4f h ILE 331 CO 0.45 0.01 -0.05 0.11 -1.08 0.00 0.00 178.15 177.59 3g4f h LYS 332 N 0.00 0.00 -0.01 2.19 1.57 -2.00 -2.66 116.57 115.66 3g4f h LYS 332 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g4f h LYS 332 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3g4f h LYS 332 CO 0.00 0.05 -0.04 0.00 -0.57 0.00 0.00 179.45 178.89 3g4f n ILE 334 N -0.57 0.84 -0.55 0.00 3.06 -1.00 -1.66 119.36 119.47 3g4f n ILE 334 Ca 0.19 0.21 0.09 0.00 -2.50 0.00 0.00 62.75 60.74 3g4f n ILE 334 Cb 0.25 -1.08 0.30 0.00 0.54 0.00 0.00 39.64 39.64 3g4f n ILE 334 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3g4f n ASP 335 N -2.06 4.20 -0.43 9.51 8.00 -1.25 -4.26 116.55 130.27 3g4f n ASP 335 Ca 0.03 -2.38 0.06 0.00 0.71 0.00 0.00 54.79 53.21 3g4f n ASP 335 Cb 0.23 -0.50 0.04 0.00 -0.02 0.00 0.00 41.12 40.87 3g4f n ASP 335 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3g4f n GLU 336 N 0.86 1.12 -4.31 -1.24 -0.58 -0.67 -5.04 120.64 110.78 3g4f n GLU 336 Ca 0.22 -1.07 -0.21 0.00 -0.42 0.00 0.00 57.16 55.68 3g4f n GLU 336 Cb 0.77 -1.21 -0.13 0.00 -0.57 0.00 0.00 31.44 30.30 3g4f n GLU 336 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3g4f s ILE 337 N -1.19 1.32 0.11 -3.67 -4.36 -1.26 -4.91 121.20 107.24 3g4f s ILE 337 Ca 0.13 -1.26 -0.19 0.00 -0.26 0.00 0.00 60.65 59.07 3g4f s ILE 337 Cb 0.10 -1.21 -0.11 0.00 1.25 0.00 0.00 42.46 42.49 3g4f s ILE 337 CO 0.20 -0.06 0.38 -2.65 0.24 0.00 0.00 174.94 173.05 3g4f n PRO 338 N 1.49 0.00 -0.20 0.37 -0.02 -1.26 -4.79 135.00 130.59 3g4f n PRO 338 Ca -0.19 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.24 3g4f n PRO 338 Cb 0.54 -0.68 0.05 0.00 -0.02 0.00 0.00 33.50 33.40 3g4f n PRO 338 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3g4f h GLU 339 N 0.82 0.66 0.00 -0.52 4.57 -1.99 -1.89 114.58 116.23 3g4f h GLU 339 Ca -0.20 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3g4f h GLU 339 Cb 0.91 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 3g4f h GLU 339 CO 0.37 0.43 0.00 2.48 -1.18 0.00 0.00 179.01 181.11 3g4f n TYR 340 N -4.77 0.00 -0.08 0.92 4.11 -1.26 -1.92 117.16 114.17 3g4f n TYR 340 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.85 3g4f n TYR 340 Cb 0.09 -0.02 -0.15 0.00 -0.00 0.00 0.00 39.34 39.26 3g4f n TYR 340 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 3g4f n MET 341 N -1.02 0.67 -0.34 -3.48 2.81 -0.71 -4.59 117.12 110.46 3g4f n MET 341 Ca 0.11 0.09 0.27 0.00 -1.81 0.00 0.00 57.70 56.37 3g4f n MET 341 Cb 0.06 -1.60 0.52 0.00 -0.71 0.00 0.00 33.22 31.49 3g4f n MET 341 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3g4f h LYS 342 N 0.00 0.22 0.00 0.03 1.57 -1.41 0.10 116.57 117.08 3g4f h LYS 342 Ca -0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3g4f h LYS 342 Cb 2.16 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.42 3g4f h LYS 342 CO 0.04 0.15 0.00 -1.35 -0.57 0.00 0.00 179.45 177.72 3g4f h PRO 343 N 0.23 0.00 0.12 3.15 0.11 -1.81 0.33 132.00 134.13 3g4f h PRO 343 Ca 0.77 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.53 3g4f h PRO 343 Cb 1.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.99 3g4f h PRO 343 CO -0.61 0.00 -1.84 0.66 -0.21 0.00 0.00 178.00 175.99 3g4f h SER 344 N 0.00 0.40 -0.41 -2.05 4.64 -1.14 -2.97 113.55 112.02 3g4f h SER 344 Ca 0.00 -0.76 -0.07 0.00 -0.47 0.00 0.00 61.79 60.49 3g4f h SER 344 Cb 0.61 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 3g4f h SER 344 CO 0.00 1.67 0.03 0.22 -0.87 0.00 0.00 176.83 177.88 3g4f h TYR 345 N 0.07 0.82 0.29 4.77 3.20 -1.18 0.16 116.97 125.11 3g4f h TYR 345 Ca -0.36 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 3g4f h TYR 345 Cb 2.04 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 40.09 3g4f h TYR 345 CO 0.07 0.75 -0.14 -0.22 -1.64 0.00 0.00 178.16 176.98 3g4f h LYS 346 N 0.74 -0.37 -0.56 1.82 1.63 -1.07 -2.38 116.57 116.38 3g4f h LYS 346 Ca 0.15 0.03 0.12 0.00 -0.85 0.00 0.00 60.65 60.09 3g4f h LYS 346 Cb 0.41 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 3g4f h LYS 346 CO 0.01 -0.09 0.38 0.00 -3.45 0.00 0.00 179.45 176.30 3g4f h ALA 347 N -0.02 2.20 0.75 5.00 0.00 -1.34 -1.61 119.26 124.23 3g4f h ALA 347 Ca -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3g4f h ALA 347 Cb 0.45 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3g4f h ALA 347 CO 0.07 -0.34 -0.36 1.25 0.00 0.00 0.00 179.25 179.87 3g4f h LEU 348 N 0.24 -0.86 -1.71 0.00 5.85 -0.46 -2.63 115.31 115.73 3g4f h LEU 348 Ca 0.26 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.03 3g4f h LEU 348 Cb 0.71 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 3g4f h LEU 348 CO -0.05 -0.50 0.24 -0.07 -0.34 0.00 0.00 178.44 177.72 3g4f h LEU 349 N -1.24 0.32 -0.31 2.25 3.38 -0.97 -2.56 115.31 116.18 3g4f h LEU 349 Ca -0.10 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3g4f h LEU 349 Cb 0.79 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3g4f h LEU 349 CO 0.17 0.23 -0.14 0.44 0.09 0.00 0.00 178.44 179.22 3g4f h ASP 350 N 0.38 0.66 -0.34 -0.43 5.19 -1.32 -0.57 116.42 119.99 3g4f h ASP 350 Ca 0.14 -0.40 0.07 0.00 -0.62 0.00 0.00 57.03 56.22 3g4f h ASP 350 Cb 0.11 -0.18 -0.07 0.00 0.18 0.00 0.00 39.33 39.37 3g4f h ASP 350 CO -0.03 0.92 -0.10 0.58 -3.12 0.00 0.00 179.24 177.49 3g4f h VAL 351 N 0.41 0.63 -0.18 -1.35 2.07 -1.07 0.45 116.25 117.21 3g4f h VAL 351 Ca 0.07 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.42 3g4f h VAL 351 Cb 0.66 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3g4f h VAL 351 CO 0.04 0.00 -0.58 1.88 0.02 0.00 0.00 177.57 178.93 3g4f h TYR 352 N -0.02 0.72 -0.80 1.57 0.05 -1.48 -2.67 116.97 114.34 3g4f h TYR 352 Ca 0.16 -0.26 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 3g4f h TYR 352 Cb 0.27 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.84 3g4f h TYR 352 CO -0.33 1.01 0.43 1.49 -1.05 0.00 0.00 178.16 179.71 3g4f h GLU 353 N 0.43 1.11 0.00 4.88 4.57 -0.37 0.25 114.58 125.44 3g4f h GLU 353 Ca 0.00 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 3g4f h GLU 353 Cb 1.13 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.50 3g4f h GLU 353 CO 0.11 0.82 -0.15 1.49 -1.18 0.00 0.00 179.01 180.10 3g4f h GLU 354 N 1.12 0.00 0.01 1.92 4.81 0.11 -2.56 114.58 119.98 3g4f h GLU 354 Ca 0.28 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3g4f h GLU 354 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 3g4f h GLU 354 CO -0.04 0.15 -0.01 0.52 -0.73 0.00 0.00 179.01 178.90 3g4f h MET 355 N 0.00 -0.02 -0.57 1.92 2.86 -0.23 0.40 114.93 119.29 3g4f h MET 355 Ca -0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3g4f h MET 355 Cb 0.36 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.92 3g4f h MET 355 CO 0.02 0.63 -0.40 0.28 1.06 0.00 0.00 176.91 178.50 3g4f h VAL 356 N -0.69 0.11 -0.15 -2.22 2.07 -1.18 -0.06 116.25 114.14 3g4f h VAL 356 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3g4f h VAL 356 Cb 0.66 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 3g4f h VAL 356 CO 0.00 0.00 -0.29 1.56 0.02 0.00 0.00 177.57 178.86 3g4f h GLN 357 N -0.21 -0.34 0.00 1.57 7.50 -1.36 -0.80 115.11 121.46 3g4f h GLN 357 Ca 0.19 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.37 3g4f h GLN 357 Cb 0.56 0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.17 3g4f h GLN 357 CO -0.68 -0.23 0.10 1.28 -1.50 0.00 0.00 178.83 177.81 3g4f n LEU 358 N -5.40 0.04 0.00 1.46 4.77 0.14 -3.19 117.00 114.82 3g4f n LEU 358 Ca -0.03 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3g4f n LEU 358 Cb 0.31 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3g4f n LEU 358 CO 0.16 -0.44 -0.31 0.52 -1.33 0.00 0.00 177.39 175.99 3g4f n VAL 359 N -1.47 0.00 0.02 4.08 0.31 -0.86 -4.66 118.33 115.76 3g4f n VAL 359 Ca -0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.42 3g4f n VAL 359 Cb 0.11 -0.38 0.15 0.00 -0.91 0.00 0.00 33.84 32.81 3g4f n VAL 359 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g4f n ALA 360 N -1.98 0.34 0.25 3.52 0.00 -0.34 -0.45 120.51 121.85 3g4f n ALA 360 Ca 0.00 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.67 3g4f n ALA 360 Cb 0.31 -0.20 0.57 0.00 0.00 0.00 0.00 19.45 20.13 3g4f n ALA 360 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3g4f n GLU 361 N -2.16 0.17 0.00 0.00 0.28 -1.26 -2.44 120.64 115.23 3g4f n GLU 361 Ca 0.08 0.57 0.00 0.00 -0.16 0.00 0.00 57.16 57.65 3g4f n GLU 361 Cb 0.81 -1.95 0.00 0.00 1.43 0.00 0.00 31.44 31.73 3g4f n GLU 361 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3g4f n HIS 362 N -2.28 0.00 -2.29 -1.84 8.25 0.40 -5.00 115.22 112.46 3g4f n HIS 362 Ca -0.00 -0.12 -0.07 0.00 -0.26 0.00 0.00 57.72 57.27 3g4f n HIS 362 Cb 0.11 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3g4f n HIS 362 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g4f n GLY 363 N -0.12 0.16 2.22 -1.41 0.00 -1.02 -4.90 105.19 100.13 3g4f n GLY 363 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 3g4f n GLY 363 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4f n ARG 364 N -1.73 2.44 0.15 1.61 1.74 -1.25 -4.55 116.66 115.07 3g4f n ARG 364 Ca -0.06 -3.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.86 3g4f n ARG 364 Cb 0.55 -2.21 0.20 0.00 -1.02 0.00 0.00 32.46 29.98 3g4f n ARG 364 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3g4f h GLN 365 N 1.44 0.00 -0.86 5.56 7.50 -1.90 -2.99 115.11 123.86 3g4f h GLN 365 Ca 0.61 0.00 0.16 0.00 0.50 0.00 0.00 58.65 59.91 3g4f h GLN 365 Cb 1.95 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 29.41 3g4f h GLN 365 CO 1.28 0.57 0.56 0.10 -1.50 0.00 0.00 178.83 179.83 3g4f h TYR 366 N 0.00 0.68 -0.89 2.96 -0.00 -2.01 -1.65 116.97 116.06 3g4f h TYR 366 Ca -0.01 0.02 0.19 0.00 0.00 0.00 0.00 58.73 58.93 3g4f h TYR 366 Cb 1.07 -0.21 -0.07 0.00 0.00 0.00 0.00 36.73 37.52 3g4f h TYR 366 CO 0.00 0.24 0.58 0.00 -0.00 0.00 0.00 178.16 178.98 3g4f h ARG 367 N 0.56 0.45 0.00 0.10 3.08 -1.90 -2.86 114.38 113.82 3g4f h ARG 367 Ca 0.43 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.30 3g4f h ARG 367 Cb 0.84 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.77 3g4f h ARG 367 CO -0.18 0.30 -0.76 0.28 -1.07 0.00 0.00 179.97 178.54 3g4f h VAL 368 N 0.46 1.51 -0.46 2.04 2.07 -1.50 -2.93 116.25 117.44 3g4f h VAL 368 Ca 0.46 -2.63 0.02 0.00 0.82 0.00 0.00 66.70 65.36 3g4f h VAL 368 Cb 1.06 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 3g4f h VAL 368 CO -0.19 0.75 0.29 -0.08 0.02 0.00 0.00 177.57 178.36 3g4f h GLU 369 N 0.00 0.56 -0.43 1.57 4.57 -1.62 0.20 114.58 119.43 3g4f h GLU 369 Ca -0.01 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 3g4f h GLU 369 Cb 1.37 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 3g4f h GLU 369 CO 0.10 0.37 0.08 1.88 -1.18 0.00 0.00 179.01 180.26 3g4f h TYR 370 N 0.58 0.75 -0.77 0.92 -1.99 -1.62 0.71 116.97 115.55 3g4f h TYR 370 Ca 0.18 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.81 3g4f h TYR 370 Cb -0.01 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 38.47 3g4f h TYR 370 CO -0.06 0.71 0.49 0.00 -0.00 0.00 0.00 178.16 179.30 3g4f h ALA 371 N 0.95 1.41 0.17 3.88 0.00 -1.33 0.98 119.26 125.32 3g4f h ALA 371 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3g4f h ALA 371 Cb 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3g4f h ALA 371 CO 0.01 0.53 -0.08 -0.22 0.00 0.00 0.00 179.25 179.48 3g4f h LYS 372 N 1.05 -0.21 -1.01 0.00 3.64 -0.08 -1.97 116.57 117.99 3g4f h LYS 372 Ca 0.28 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.75 3g4f h LYS 372 Cb -0.09 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.71 3g4f h LYS 372 CO -0.06 -0.01 0.65 -0.91 -2.27 0.00 0.00 179.45 176.85 3g4f h ASN 373 N -0.39 1.02 -0.53 4.20 2.35 -0.56 -0.54 115.58 121.14 3g4f h ASN 373 Ca -0.02 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3g4f h ASN 373 Cb 0.31 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 3g4f h ASN 373 CO 0.04 0.63 0.30 0.00 -1.65 0.00 0.00 177.43 176.75 3g4f h ALA 374 N 1.47 0.68 -0.64 -0.83 0.00 -0.68 -1.46 119.26 117.80 3g4f h ALA 374 Ca 0.45 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 3g4f h ALA 374 Cb 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3g4f h ALA 374 CO -0.19 -0.01 0.09 1.98 0.00 0.00 0.00 179.25 181.12 3g4f h MET 375 N 0.60 1.08 -0.66 0.00 1.85 -0.56 -2.41 114.93 114.83 3g4f h MET 375 Ca 0.22 -0.30 0.02 0.00 -0.61 0.00 0.00 59.70 59.04 3g4f h MET 375 Cb 0.06 -0.12 -0.04 0.00 0.43 0.00 0.00 31.60 31.93 3g4f h MET 375 CO -0.12 1.00 0.43 0.82 -0.40 0.00 0.00 176.91 178.65 3g4f h ILE 376 N 0.99 1.12 -0.20 1.77 2.04 -0.73 -1.71 117.51 120.79 3g4f h ILE 376 Ca 0.19 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.65 3g4f h ILE 376 Cb 0.46 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3g4f h ILE 376 CO 0.02 0.15 -0.40 -0.09 0.00 0.00 0.00 178.15 177.83 3g4f h ARG 377 N 0.82 0.47 0.14 2.37 9.65 -0.81 -1.92 114.38 125.10 3g4f h ARG 377 Ca 0.25 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 3g4f h ARG 377 Cb 0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 3g4f h ARG 377 CO -0.07 0.79 -0.07 1.25 2.80 0.00 0.00 179.97 184.68 3g4f h LEU 378 N 0.39 -0.16 -0.32 3.80 6.46 -0.96 -2.23 115.31 122.29 3g4f h LEU 378 Ca 0.04 -0.11 0.07 0.00 -0.12 0.00 0.00 57.88 57.76 3g4f h LEU 378 Cb 0.87 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 40.76 3g4f h LEU 378 CO 0.07 0.01 -0.31 0.00 -0.62 0.00 0.00 178.44 177.60 3g4f h ALA 379 N 0.52 -0.21 -0.98 1.25 0.00 -1.02 0.07 119.26 118.90 3g4f h ALA 379 Ca -0.02 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.15 3g4f h ALA 379 Cb 0.26 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 3g4f h ALA 379 CO 0.03 -0.73 0.61 1.96 0.00 0.00 0.00 179.25 181.13 3g4f h GLN 380 N -0.28 0.70 -0.35 0.00 4.20 -1.22 0.28 115.11 118.44 3g4f h GLN 380 Ca 0.15 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.67 3g4f h GLN 380 Cb 0.53 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 3g4f h GLN 380 CO -0.48 0.47 -0.38 0.66 -0.67 0.00 0.00 178.83 178.43 3g4f h SER 381 N 0.72 0.94 -0.39 1.46 4.64 -0.65 -3.08 113.55 117.19 3g4f h SER 381 Ca 0.53 -0.48 0.05 0.00 -0.47 0.00 0.00 61.79 61.43 3g4f h SER 381 Cb 0.88 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.66 3g4f h SER 381 CO -0.31 1.23 0.11 1.88 -0.87 0.00 0.00 176.83 178.87 3g4f h TYR 382 N 0.67 0.20 -0.77 4.77 0.05 0.13 -1.19 116.97 120.83 3g4f h TYR 382 Ca 0.05 0.02 0.17 0.00 0.05 0.00 0.00 58.73 59.03 3g4f h TYR 382 Cb 0.97 -0.03 -0.14 0.00 1.01 0.00 0.00 36.73 38.55 3g4f h TYR 382 CO 0.07 0.06 -0.04 1.25 -1.05 0.00 0.00 178.16 178.45 3g4f h LEU 383 N 0.26 -0.45 0.01 3.88 6.46 -0.83 -1.24 115.31 123.41 3g4f h LEU 383 Ca 0.18 0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 58.15 3g4f h LEU 383 Cb 0.19 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 3g4f h LEU 383 CO -0.21 -0.21 -0.01 0.58 -0.62 0.00 0.00 178.44 177.98 3g4f h VAL 384 N 0.07 1.28 -0.87 1.05 2.07 -1.17 -2.00 116.25 116.68 3g4f h VAL 384 Ca 0.41 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 67.13 3g4f h VAL 384 Cb 0.72 1.89 -0.06 0.00 -1.52 0.00 0.00 31.29 32.31 3g4f h VAL 384 CO -0.71 0.23 0.56 -0.08 0.02 0.00 0.00 177.57 177.59 3g4f h GLU 385 N -0.40 0.84 0.71 1.57 4.81 -0.89 -1.95 114.58 119.27 3g4f h GLU 385 Ca -0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3g4f h GLU 385 Cb 0.39 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.59 3g4f h GLU 385 CO 0.00 0.56 -0.34 0.00 -0.73 0.00 0.00 179.01 178.50 3g4f h ALA 386 N 1.56 -0.95 -1.46 2.92 0.00 -1.11 -2.61 119.26 117.61 3g4f h ALA 386 Ca 0.40 -0.21 0.49 0.00 0.00 0.00 0.00 54.91 55.58 3g4f h ALA 386 Cb 0.38 0.37 -0.13 0.00 0.00 0.00 0.00 17.79 18.41 3g4f h ALA 386 CO -0.16 -1.01 0.96 -0.22 0.00 0.00 0.00 179.25 178.81 3g4f h LYS 387 N -0.99 0.01 0.38 0.00 3.64 -0.61 0.93 116.57 119.93 3g4f h LYS 387 Ca -0.10 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3g4f h LYS 387 Cb 0.74 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3g4f h LYS 387 CO 0.16 0.01 -0.18 -1.49 -2.27 0.00 0.00 179.45 175.67 3g4f h TRP 388 N 0.01 -0.48 -0.57 1.91 6.55 -1.08 -2.58 115.95 119.71 3g4f h TRP 388 Ca 0.89 -0.01 -0.07 0.00 0.95 0.00 0.00 58.89 60.65 3g4f h TRP 388 Cb 2.96 0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 31.39 3g4f h TRP 388 CO -0.01 -0.30 0.09 1.79 -1.05 0.00 0.00 178.44 178.97 3g4f h THR 389 N -0.99 1.24 -0.32 1.49 1.35 -0.99 0.18 112.91 114.87 3g4f h THR 389 Ca -0.05 -0.94 -0.11 0.00 -0.55 0.00 0.00 66.41 64.75 3g4f h THR 389 Cb 0.40 0.71 -0.01 0.00 -1.73 0.00 0.00 68.15 67.51 3g4f h THR 389 CO 0.09 0.35 -0.23 -0.07 -0.25 0.00 0.00 175.52 175.41 3g4f h LEU 390 N 0.87 0.76 -2.93 3.87 3.38 -1.00 -2.40 115.31 117.85 3g4f h LEU 390 Ca 0.18 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3g4f h LEU 390 Cb 0.38 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3g4f h LEU 390 CO 0.01 1.03 0.00 0.00 0.09 0.00 0.00 178.44 179.57 3g4f n GLN 391 N -4.29 3.94 -3.17 1.13 6.02 -0.97 -4.89 117.38 115.15 3g4f n GLN 391 Ca -0.03 -2.40 -0.20 0.00 -0.01 0.00 0.00 57.00 54.35 3g4f n GLN 391 Cb 0.44 -2.07 -0.04 0.00 1.02 0.00 0.00 30.24 29.59 3g4f n GLN 391 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3g4f n ASN 392 N 0.50 -1.17 -4.63 1.08 4.05 -0.28 -4.80 115.26 110.01 3g4f n ASN 392 Ca 0.21 -0.44 -0.43 0.00 0.45 0.00 0.00 54.58 54.37 3g4f n ASN 392 Cb 0.96 -1.06 -0.02 0.00 1.23 0.00 0.00 39.78 40.89 3g4f n ASN 392 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3g4f s TYR 393 N -2.29 3.01 0.08 1.20 5.04 0.47 -4.99 117.35 119.88 3g4f s TYR 393 Ca 0.40 1.05 -0.31 0.00 -2.44 0.00 0.00 57.07 55.77 3g4f s TYR 393 Cb -0.23 -3.89 -0.06 0.00 0.35 0.00 0.00 41.96 38.13 3g4f s TYR 393 CO 0.49 -1.02 1.21 0.21 -1.34 0.00 0.00 175.55 175.10 3g4f s LYS 394 N 3.91 4.44 -0.24 4.97 2.47 -1.26 -4.71 119.74 129.31 3g4f s LYS 394 Ca 0.48 1.81 -0.07 0.00 -1.56 0.00 0.00 55.97 56.62 3g4f s LYS 394 Cb -0.12 -3.32 -0.03 0.00 -1.46 0.00 0.00 37.83 32.90 3g4f s LYS 394 CO 0.20 -0.24 0.07 -1.25 0.16 0.00 0.00 175.35 174.30 3g4f s PRO 395 N 0.85 3.71 0.22 4.03 0.04 -1.26 -5.06 135.00 137.53 3g4f s PRO 395 Ca 0.58 -0.45 -0.19 0.00 0.04 0.00 0.00 61.00 60.98 3g4f s PRO 395 Cb -0.30 -3.32 -0.12 0.00 0.04 0.00 0.00 34.50 30.79 3g4f s PRO 395 CO 0.30 -0.12 0.25 -1.13 0.04 0.00 0.00 177.00 176.34 3g4f n SER 396 N 4.74 -1.48 -0.08 6.66 3.41 -1.26 -4.42 113.62 121.19 3g4f n SER 396 Ca -0.16 0.75 0.16 0.00 -0.26 0.00 0.00 58.87 59.37 3g4f n SER 396 Cb 0.52 -0.70 0.58 0.00 -0.26 0.00 0.00 64.21 64.35 3g4f n SER 396 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3g4f h PHE 397 N 0.54 0.28 0.07 7.33 3.04 -1.97 -0.61 116.94 125.62 3g4f h PHE 397 Ca -0.24 0.01 -0.30 0.00 3.98 0.00 0.00 57.97 61.42 3g4f h PHE 397 Cb 1.09 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.49 3g4f h PHE 397 CO 0.28 0.11 -1.59 1.05 -2.02 0.00 0.00 178.31 176.14 3g4f h GLU 398 N 0.25 0.15 0.08 1.11 4.11 -1.96 0.54 114.58 118.86 3g4f h GLU 398 Ca 0.30 -0.25 0.02 0.00 0.07 0.00 0.00 59.36 59.50 3g4f h GLU 398 Cb 0.84 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 3g4f h GLU 398 CO -0.06 0.93 -0.35 1.49 0.07 0.00 0.00 179.01 181.08 3g4f h GLU 399 N 0.04 -0.53 -1.00 1.06 4.81 -1.74 0.00 114.58 117.22 3g4f h GLU 399 Ca -0.25 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.14 3g4f h GLU 399 Cb 1.99 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 31.41 3g4f h GLU 399 CO 0.12 -0.36 0.63 0.35 -0.73 0.00 0.00 179.01 179.03 3g4f h PHE 400 N -0.55 1.13 0.00 0.92 3.57 -1.04 -1.54 116.94 119.43 3g4f h PHE 400 Ca 0.04 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3g4f h PHE 400 Cb 0.60 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 3g4f h PHE 400 CO -0.33 0.44 -0.02 -0.22 -2.23 0.00 0.00 178.31 175.95 3g4f h LYS 401 N 0.97 0.00 0.00 1.11 3.64 0.17 -3.01 116.57 119.46 3g4f h LYS 401 Ca 0.50 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.55 3g4f h LYS 401 Cb 0.52 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 3g4f h LYS 401 CO -0.27 0.02 -2.30 0.00 -2.27 0.00 0.00 179.45 174.63 3g4f n ALA 402 N -2.15 1.62 1.01 5.00 0.00 -0.18 -4.57 120.51 121.24 3g4f n ALA 402 Ca -0.02 -1.22 0.11 0.00 0.00 0.00 0.00 53.44 52.30 3g4f n ALA 402 Cb 0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.34 3g4f n ALA 402 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3g4f n ASN 403 N -2.68 1.33 0.12 0.00 4.13 -1.14 -4.42 115.26 112.61 3g4f n ASN 403 Ca -0.30 -1.14 -0.20 0.00 1.68 0.00 0.00 54.58 54.63 3g4f n ASN 403 Cb 1.09 0.76 -0.15 0.00 -1.54 0.00 0.00 39.78 39.94 3g4f n ASN 403 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g4f h ALA 404 N 3.32 -0.02 -0.12 5.41 0.00 -1.77 -3.35 119.26 122.73 3g4f h ALA 404 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 54.01 3g4f h ALA 404 Cb 0.59 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3g4f h ALA 404 CO 0.00 0.85 -0.01 -0.07 0.00 0.00 0.00 179.25 180.02 3g4f h LEU 405 N 0.11 0.22 -0.79 0.00 3.38 -1.84 -3.21 115.31 113.18 3g4f h LEU 405 Ca -0.19 -0.33 0.18 0.00 0.09 0.00 0.00 57.88 57.64 3g4f h LEU 405 Cb 2.06 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 42.62 3g4f h LEU 405 CO 0.24 0.49 -0.00 -0.65 0.09 0.00 0.00 178.44 178.60 3g4f h PRO 406 N -0.06 0.09 0.00 1.13 0.11 -1.81 -2.00 132.00 129.46 3g4f h PRO 406 Ca 0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3g4f h PRO 406 Cb 0.38 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3g4f h PRO 406 CO 0.01 0.06 0.00 0.25 -0.21 0.00 0.00 178.00 178.10 3g4f n THR 407 N -5.37 0.33 -0.05 -1.15 -2.24 -1.21 -2.28 114.28 102.31 3g4f n THR 407 Ca 0.15 0.08 -0.10 0.00 -2.27 0.00 0.00 64.05 61.90 3g4f n THR 407 Cb 0.50 -1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 67.67 3g4f n THR 407 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g4f n GLY 409 N -0.89 0.74 0.12 0.00 0.00 -0.96 -4.96 105.19 99.24 3g4f n GLY 409 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.99 3g4f n GLY 409 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3g4f h TYR 410 N 0.00 0.00 -0.26 1.61 -1.99 -1.91 -1.92 116.97 112.50 3g4f h TYR 410 Ca 0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 3g4f h TYR 410 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 3g4f h TYR 410 CO 0.00 0.59 -0.41 0.00 -0.00 0.00 0.00 178.16 178.34 3g4f h ALA 411 N 1.41 0.80 -0.10 3.88 0.00 -1.90 -2.30 119.26 121.06 3g4f h ALA 411 Ca -0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 3g4f h ALA 411 Cb 1.46 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3g4f h ALA 411 CO 0.07 0.65 -0.32 1.98 0.00 0.00 0.00 179.25 181.64 3g4f h MET 412 N 0.51 0.19 0.22 0.00 1.85 -1.82 -2.43 114.93 113.46 3g4f h MET 412 Ca 0.04 -0.07 -0.33 0.00 -0.61 0.00 0.00 59.70 58.74 3g4f h MET 412 Cb 0.92 -0.01 0.03 0.00 0.43 0.00 0.00 31.60 32.97 3g4f h MET 412 CO 0.08 0.50 -1.50 -0.07 -0.40 0.00 0.00 176.91 175.52 3g4f h LEU 413 N 0.17 0.73 0.31 3.39 3.38 -1.28 -2.53 115.31 119.48 3g4f h LEU 413 Ca 0.02 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3g4f h LEU 413 Cb 0.65 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3g4f h LEU 413 CO 0.05 1.70 -0.35 0.00 0.09 0.00 0.00 178.44 179.93 3g4f h ALA 414 N 0.12 -0.73 -0.74 1.53 0.00 -1.41 -0.00 119.26 118.03 3g4f h ALA 414 Ca -0.28 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3g4f h ALA 414 Cb 2.08 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 20.35 3g4f h ALA 414 CO 0.23 -0.95 0.48 0.82 0.00 0.00 0.00 179.25 179.82 3g4f h ILE 415 N -0.70 1.15 0.00 0.00 2.04 -1.56 -1.50 117.51 116.94 3g4f h ILE 415 Ca -0.01 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 3g4f h ILE 415 Cb 0.65 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3g4f h ILE 415 CO -0.09 0.17 -0.33 0.74 0.00 0.00 0.00 178.15 178.65 3g4f h THR 416 N 0.95 1.02 0.00 -0.27 2.02 -1.29 -2.71 112.91 112.64 3g4f h THR 416 Ca 0.28 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 3g4f h THR 416 Cb -0.05 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3g4f h THR 416 CO -0.08 0.32 -0.09 0.77 0.37 0.00 0.00 175.52 176.81 3g4f h SER 417 N 0.00 0.00 0.91 4.18 4.64 0.08 -2.71 113.55 120.65 3g4f h SER 417 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3g4f h SER 417 Cb 0.68 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 3g4f h SER 417 CO 0.04 0.09 -0.51 -0.26 -0.87 0.00 0.00 176.83 175.32 3g4f h PHE 418 N 0.00 0.00 -0.55 4.77 0.05 -1.22 -3.35 116.94 116.64 3g4f h PHE 418 Ca -0.00 0.00 0.11 0.00 3.82 0.00 0.00 57.97 61.90 3g4f h PHE 418 Cb 0.72 0.00 -0.11 0.00 2.00 0.00 0.00 35.95 38.56 3g4f h PHE 418 CO 0.00 0.51 -0.21 0.28 -0.18 0.00 0.00 178.31 178.72 3g4f h VAL 419 N 0.00 0.34 -0.03 -0.55 2.07 -1.56 0.55 116.25 117.06 3g4f h VAL 419 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3g4f h VAL 419 Cb 1.11 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3g4f h VAL 419 CO 0.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.27 3g4f n GLY 420 N -1.42 -0.60 3.91 2.17 0.00 -1.25 -4.92 105.19 103.07 3g4f n GLY 420 Ca 0.05 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3g4f n GLY 420 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g4f s MET 421 N -1.96 1.82 0.00 1.61 1.00 0.18 -4.40 119.30 117.56 3g4f s MET 421 Ca 0.36 0.02 0.00 0.00 0.00 0.00 0.00 55.69 56.06 3g4f s MET 421 Cb 0.17 -1.96 0.00 0.00 0.00 0.00 0.00 34.83 33.05 3g4f s MET 421 CO 0.28 -1.67 0.00 0.41 0.00 0.00 0.00 175.02 174.05 3g4f n GLY 422 N -3.34 -1.39 0.00 -0.03 0.00 -1.26 -4.82 105.19 94.35 3g4f n GLY 422 Ca 0.09 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.66 3g4f n GLY 422 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g4f n ASP 423 N -0.02 0.00 0.23 1.61 8.00 -1.26 -2.16 116.55 122.95 3g4f n ASP 423 Ca 0.00 -0.06 0.10 0.00 0.71 0.00 0.00 54.79 55.54 3g4f n ASP 423 Cb 0.00 -0.23 0.55 0.00 -0.02 0.00 0.00 41.12 41.42 3g4f n ASP 423 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3g4f h ILE 424 N 0.00 0.70 -3.66 0.53 6.09 -2.00 -3.41 117.51 115.76 3g4f h ILE 424 Ca 0.00 -0.93 -0.50 0.00 -1.37 0.00 0.00 64.86 62.06 3g4f h ILE 424 Cb 0.12 1.58 -0.03 0.00 0.47 0.00 0.00 36.82 38.96 3g4f h ILE 424 CO 0.00 0.21 0.06 -0.69 -3.07 0.00 0.00 178.15 174.66 3g4f s VAL 425 N -3.97 4.72 -0.01 2.19 1.01 -0.92 -4.98 120.40 118.43 3g4f s VAL 425 Ca -0.02 0.89 -0.27 0.00 0.00 0.00 0.00 61.98 62.59 3g4f s VAL 425 Cb 0.12 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.93 3g4f s VAL 425 CO 0.63 -0.13 0.59 0.28 0.00 0.00 0.00 175.10 176.47 3g4f s THR 426 N -1.92 0.01 0.38 3.92 -1.32 -1.26 -4.95 115.64 110.51 3g4f s THR 426 Ca 0.52 -0.11 0.19 0.00 -1.21 0.00 0.00 61.69 61.07 3g4f s THR 426 Cb -0.11 -0.94 0.39 0.00 -1.51 0.00 0.00 72.50 70.33 3g4f s THR 426 CO 0.18 -0.06 1.72 -0.65 -2.21 0.00 0.00 174.62 173.60 3g4f h PRO 427 N 3.01 0.35 0.00 7.08 0.11 -1.97 0.71 132.00 141.28 3g4f h PRO 427 Ca -0.29 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 3g4f h PRO 427 Cb 1.17 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3g4f h PRO 427 CO 0.40 0.23 -0.14 0.93 -0.21 0.00 0.00 178.00 179.21 3g4f h GLU 428 N 0.36 0.00 -0.43 1.05 3.07 -1.99 -1.89 114.58 114.75 3g4f h GLU 428 Ca 0.66 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 59.59 3g4f h GLU 428 Cb 1.67 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.53 3g4f h GLU 428 CO -0.39 0.14 0.10 1.15 -1.40 0.00 0.00 179.01 178.61 3g4f h THR 429 N 0.00 0.80 -0.28 1.13 2.02 0.05 -1.10 112.91 115.53 3g4f h THR 429 Ca -0.00 -0.08 -0.16 0.00 0.77 0.00 0.00 66.41 66.94 3g4f h THR 429 Cb 0.26 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3g4f h THR 429 CO 0.02 0.04 -0.45 -0.26 0.37 0.00 0.00 175.52 175.24 3g4f h PHE 430 N 0.24 0.88 -0.83 3.16 0.04 -1.34 -1.09 116.94 118.00 3g4f h PHE 430 Ca 0.21 -0.28 0.04 0.00 2.80 0.00 0.00 57.97 60.74 3g4f h PHE 430 Cb 0.24 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.16 3g4f h PHE 430 CO -0.19 1.04 0.53 -0.22 -0.60 0.00 0.00 178.31 178.87 3g4f h LYS 431 N 0.58 0.99 -0.13 1.51 1.63 -1.28 -0.43 116.57 119.45 3g4f h LYS 431 Ca 0.04 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 3g4f h LYS 431 Cb 1.01 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 3g4f h LYS 431 CO 0.10 0.65 0.05 2.35 -3.45 0.00 0.00 179.45 179.15 3g4f h TRP 432 N 1.01 0.20 0.00 1.91 7.01 -0.77 -3.13 115.95 122.18 3g4f h TRP 432 Ca 0.34 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.32 3g4f h TRP 432 Cb 0.05 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 3g4f h TRP 432 CO -0.03 0.29 -0.04 0.00 -2.79 0.00 0.00 178.44 175.87 3g4f h ALA 433 N 0.89 1.00 -0.04 2.65 0.00 -0.60 -2.65 119.26 120.51 3g4f h ALA 433 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g4f h ALA 433 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3g4f h ALA 433 CO -0.00 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3g4f n ALA 434 N -2.11 2.58 0.60 0.00 0.00 -0.22 -3.52 120.51 117.83 3g4f n ALA 434 Ca 0.01 -0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.10 3g4f n ALA 434 Cb 0.36 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 3g4f n ALA 434 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3g4f n SER 435 N -0.00 1.09 -1.62 0.00 3.41 -1.00 -5.03 113.62 110.47 3g4f n SER 435 Ca 0.19 -1.05 -0.01 0.00 -0.26 0.00 0.00 58.87 57.75 3g4f n SER 435 Cb 0.30 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 3g4f n SER 435 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3g4f n ASP 436 N -0.64 -2.35 -4.71 4.04 2.03 -1.23 -5.03 116.55 108.66 3g4f n ASP 436 Ca 0.04 -0.04 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 3g4f n ASP 436 Cb 0.25 -0.93 0.12 0.00 -0.72 0.00 0.00 41.12 39.83 3g4f n ASP 436 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3g4f s PRO 437 N -3.08 1.78 0.24 -0.67 0.02 -1.26 -4.71 135.00 127.33 3g4f s PRO 437 Ca 0.03 1.66 -0.06 0.00 0.02 0.00 0.00 61.00 62.64 3g4f s PRO 437 Cb -0.00 -1.80 0.28 0.00 0.02 0.00 0.00 34.50 33.00 3g4f s PRO 437 CO 0.05 -2.08 1.89 0.87 -0.33 0.00 0.00 177.00 177.40 3g4f h LYS 438 N -0.86 1.10 0.00 5.54 6.56 -1.97 -1.38 116.57 125.56 3g4f h LYS 438 Ca -0.46 -0.07 -0.06 0.00 -1.06 0.00 0.00 60.65 59.00 3g4f h LYS 438 Cb 1.28 -0.25 -0.01 0.00 -0.57 0.00 0.00 32.23 32.69 3g4f h LYS 438 CO 0.47 0.73 -0.30 0.97 -2.06 0.00 0.00 179.45 179.26 3g4f h ILE 439 N 1.13 0.89 0.03 1.86 2.10 -1.91 0.60 117.51 122.21 3g4f h ILE 439 Ca 0.36 -1.16 -0.22 0.00 1.08 0.00 0.00 64.86 64.92 3g4f h ILE 439 Cb 0.01 1.69 -0.02 0.00 -1.09 0.00 0.00 36.82 37.41 3g4f h ILE 439 CO -0.12 0.29 -1.03 0.40 -1.08 0.00 0.00 178.15 176.61 3g4f h ILE 440 N 0.00 1.65 -0.18 2.19 2.04 -1.63 -2.71 117.51 118.87 3g4f h ILE 440 Ca -0.00 -3.27 -0.12 0.00 1.00 0.00 0.00 64.86 62.47 3g4f h ILE 440 Cb 0.67 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 3g4f h ILE 440 CO 0.04 0.94 -0.36 1.56 0.00 0.00 0.00 178.15 180.33 3g4f h GLN 441 N 0.02 0.56 -0.04 2.37 4.20 -0.96 -2.27 115.11 118.98 3g4f h GLN 441 Ca -0.04 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.32 3g4f h GLN 441 Cb 1.77 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.58 3g4f h GLN 441 CO 0.14 0.97 -0.18 0.00 -0.67 0.00 0.00 178.83 179.10 3g4f h ALA 442 N 0.58 -0.59 -0.20 3.87 0.00 -0.96 -0.27 119.26 121.69 3g4f h ALA 442 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3g4f h ALA 442 Cb 0.96 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3g4f h ALA 442 CO 0.08 -0.65 0.18 0.66 0.00 0.00 0.00 179.25 179.51 3g4f h SER 443 N -0.20 0.00 -0.54 0.00 4.64 -1.53 0.22 113.55 116.14 3g4f h SER 443 Ca 0.01 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 3g4f h SER 443 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3g4f h SER 443 CO -0.14 0.00 -0.02 0.74 -0.87 0.00 0.00 176.83 176.54 3g4f h THR 444 N 0.00 1.27 0.15 2.95 2.02 -0.71 -2.01 112.91 116.58 3g4f h THR 444 Ca 0.09 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 3g4f h THR 444 Cb 0.45 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3g4f h THR 444 CO -0.00 0.40 -0.07 0.40 0.37 0.00 0.00 175.52 176.62 3g4f h ILE 445 N 0.85 0.93 -0.52 3.11 1.08 0.76 -2.35 117.51 121.36 3g4f h ILE 445 Ca 0.15 -0.36 0.10 0.00 -0.39 0.00 0.00 64.86 64.37 3g4f h ILE 445 Cb 0.56 1.15 -0.09 0.00 -3.07 0.00 0.00 36.82 35.37 3g4f h ILE 445 CO 0.03 0.09 -0.06 0.40 -0.69 0.00 0.00 178.15 177.92 3g4f h ILE 446 N -0.38 0.54 0.76 -0.67 2.04 -1.30 -1.22 117.51 117.28 3g4f h ILE 446 Ca -0.02 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 3g4f h ILE 446 Cb 0.30 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3g4f h ILE 446 CO 0.03 0.01 -0.37 0.00 0.00 0.00 0.00 178.15 177.83 3g4f h ARG 448 N -1.04 0.05 -0.11 0.00 9.65 -1.03 -1.66 114.38 120.24 3g4f h ARG 448 Ca -0.10 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.71 3g4f h ARG 448 Cb 0.79 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.36 3g4f h ARG 448 CO 0.17 0.03 -0.17 0.74 2.80 0.00 0.00 179.97 183.55 3g4f h PHE 449 N 0.05 0.38 -0.50 2.20 -1.00 -1.31 -1.99 116.94 114.77 3g4f h PHE 449 Ca 0.11 -0.13 0.08 0.00 2.81 0.00 0.00 57.97 60.84 3g4f h PHE 449 Cb 0.15 -0.07 -0.06 0.00 3.61 0.00 0.00 35.95 39.58 3g4f h PHE 449 CO -0.21 0.77 0.14 0.52 -1.61 0.00 0.00 178.31 177.92 3g4f h MET 450 N -0.12 0.28 0.31 1.51 2.86 -1.45 -0.84 114.93 117.48 3g4f h MET 450 Ca 0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3g4f h MET 450 Cb 0.73 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 3g4f h MET 450 CO 0.04 0.19 -0.42 0.22 1.06 0.00 0.00 176.91 178.00 3g4f h ASP 451 N 0.29 -1.18 -0.71 1.22 -0.00 -1.25 -1.06 116.42 113.73 3g4f h ASP 451 Ca 0.25 0.10 0.11 0.00 -0.00 0.00 0.00 57.03 57.49 3g4f h ASP 451 Cb 0.30 0.40 -0.05 0.00 -0.00 0.00 0.00 39.33 39.99 3g4f h ASP 451 CO -0.29 -0.51 0.47 0.44 -0.00 0.00 0.00 179.24 179.35 3g4f h ASP 452 N -0.75 0.49 0.73 2.28 3.32 -1.12 0.25 116.42 121.61 3g4f h ASP 452 Ca -0.04 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.90 3g4f h ASP 452 Cb 0.68 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3g4f h ASP 452 CO -0.11 0.28 -0.60 0.58 -1.72 0.00 0.00 179.24 177.68 3g4f h VAL 453 N 0.53 1.33 0.19 -1.35 2.07 -0.93 -2.51 116.25 115.59 3g4f h VAL 453 Ca 0.33 -2.11 -0.31 0.00 0.82 0.00 0.00 66.70 65.44 3g4f h VAL 453 Cb 0.57 2.17 0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3g4f h VAL 453 CO -0.11 0.58 -1.45 0.00 0.02 0.00 0.00 177.57 176.61 3g4f h ALA 454 N 1.40 0.01 -0.92 1.67 0.00 0.57 0.25 119.26 122.24 3g4f h ALA 454 Ca -0.01 -0.97 0.17 0.00 0.00 0.00 0.00 54.91 54.11 3g4f h ALA 454 Cb 1.12 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 3g4f h ALA 454 CO 0.08 0.77 0.59 0.93 0.00 0.00 0.00 179.25 181.62 3g4f h GLU 455 N -0.03 0.62 0.00 0.00 5.08 -0.69 -2.68 114.58 116.88 3g4f h GLU 455 Ca -0.28 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 57.90 3g4f h GLU 455 Cb 1.99 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 31.08 3g4f h GLU 455 CO 0.19 0.41 -0.81 1.25 -1.00 0.00 0.00 179.01 179.04 3g4f h HIS 456 N 0.63 0.00 0.00 4.33 2.76 -1.44 -3.36 115.15 118.08 3g4f h HIS 456 Ca 0.48 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.65 3g4f h HIS 456 Cb 0.88 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.84 3g4f h HIS 456 CO -0.00 1.26 0.02 -0.22 -1.30 0.00 0.00 177.93 177.69 3g4f h LYS 457 N -1.00 0.00 0.00 5.26 3.64 -0.98 -3.51 116.57 119.98 3g4f h LYS 457 Ca -0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3g4f h LYS 457 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3g4f h LYS 457 CO -0.13 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.24 3g4f n PHE 458 N -2.53 0.00 -0.56 1.91 3.72 -1.01 -5.06 117.46 113.93 3g4f n PHE 458 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 3g4f n PHE 458 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3g4f n PHE 458 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3g4f n ASP 465 N 0.00 -1.62 -1.78 4.37 8.00 -1.26 -4.98 116.55 119.27 3g4f n ASP 465 Ca 0.00 0.29 -0.00 0.00 0.71 0.00 0.00 54.79 55.79 3g4f n ASP 465 Cb 0.12 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 3g4f n ASP 465 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g4f s SER 467 N -0.48 5.35 0.49 0.00 0.15 -1.26 -5.00 113.70 112.95 3g4f s SER 467 Ca 0.00 0.02 0.19 0.00 0.70 0.00 0.00 55.95 56.86 3g4f s SER 467 Cb -0.00 -1.88 1.22 0.00 -1.71 0.00 0.00 66.02 63.65 3g4f s SER 467 CO 0.00 0.19 2.06 0.00 1.20 0.00 0.00 173.24 176.69 3g4f h ALA 468 N 6.58 1.63 -0.23 5.45 0.00 -1.93 -0.23 119.26 130.53 3g4f h ALA 468 Ca -0.36 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3g4f h ALA 468 Cb 1.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3g4f h ALA 468 CO 0.67 0.16 -0.18 0.82 0.00 0.00 0.00 179.25 180.72 3g4f h ILE 469 N 0.00 1.23 0.49 0.00 1.08 -1.95 -2.58 117.51 115.79 3g4f h ILE 469 Ca -0.00 -1.06 -0.02 0.00 -0.39 0.00 0.00 64.86 63.39 3g4f h ILE 469 Cb 0.25 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 3g4f h ILE 469 CO 0.02 0.34 -0.23 -0.33 -0.69 0.00 0.00 178.15 177.25 3g4f h GLU 470 N 0.36 -0.63 -0.60 2.37 5.08 -1.47 -2.83 114.58 116.87 3g4f h GLU 470 Ca 0.06 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 3g4f h GLU 470 Cb 0.53 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.81 3g4f h GLU 470 CO 0.03 -0.36 -0.12 0.00 -1.00 0.00 0.00 179.01 177.57 3g4f n TYR 472 N -4.93 0.18 -0.10 0.00 9.36 -0.97 -1.23 117.16 119.47 3g4f n TYR 472 Ca 0.11 -0.09 -0.11 0.00 3.32 0.00 0.00 57.90 61.12 3g4f n TYR 472 Cb 0.33 0.00 -0.15 0.00 -0.63 0.00 0.00 39.34 38.89 3g4f n TYR 472 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3g4f n MET 473 N -0.10 0.76 0.05 2.98 2.81 0.49 -4.30 117.12 119.82 3g4f n MET 473 Ca 0.05 0.02 -0.23 0.00 -1.81 0.00 0.00 57.70 55.74 3g4f n MET 473 Cb 0.12 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 30.98 3g4f n MET 473 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3g4f h GLU 474 N 0.00 0.36 0.00 0.03 5.08 -1.24 -1.07 114.58 117.74 3g4f h GLU 474 Ca -0.54 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 57.21 3g4f h GLU 474 Cb 2.15 0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.63 3g4f h GLU 474 CO 0.01 1.29 0.00 -1.91 -1.00 0.00 0.00 179.01 177.40 3g4f n GLU 475 N -3.63 0.00 -0.08 2.33 4.07 -0.37 -2.46 120.64 120.50 3g4f n GLU 475 Ca -0.26 0.17 0.01 0.00 -0.06 0.00 0.00 57.16 57.02 3g4f n GLU 475 Cb 1.05 -0.77 0.04 0.00 -0.06 0.00 0.00 31.44 31.71 3g4f n GLU 475 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 3g4f n TYR 476 N -0.44 0.20 -4.05 4.31 4.01 -1.26 -4.90 117.16 115.03 3g4f n TYR 476 Ca 0.00 -0.08 -0.31 0.00 -0.16 0.00 0.00 57.90 57.36 3g4f n TYR 476 Cb 0.00 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 38.90 3g4f n TYR 476 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g4f n GLY 477 N 0.28 -0.37 2.30 2.72 0.00 -1.03 -4.98 105.19 104.11 3g4f n GLY 477 Ca 0.03 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 3g4f n GLY 477 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3g4f n VAL 478 N -4.53 0.00 -3.40 1.61 0.24 -0.43 -4.97 118.33 106.86 3g4f n VAL 478 Ca -0.26 -1.52 -0.30 0.00 -2.04 0.00 0.00 64.34 60.22 3g4f n VAL 478 Cb 0.66 0.31 -0.04 0.00 -1.47 0.00 0.00 33.84 33.30 3g4f n VAL 478 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3g4f s THR 479 N -2.17 5.01 0.08 3.34 -4.23 -1.26 -4.62 115.64 111.78 3g4f s THR 479 Ca 0.00 0.20 -0.15 0.00 -1.18 0.00 0.00 61.69 60.56 3g4f s THR 479 Cb 0.00 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 3g4f s THR 479 CO 0.00 -0.20 0.75 0.00 -0.54 0.00 0.00 174.62 174.63 3g4f n ALA 480 N -0.55 -0.30 -0.20 3.99 0.00 -1.26 -0.62 120.51 121.56 3g4f n ALA 480 Ca -0.01 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 53.77 3g4f n ALA 480 Cb 0.53 -0.07 0.03 0.00 0.00 0.00 0.00 19.45 19.94 3g4f n ALA 480 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3g4f h GLN 481 N 0.00 0.80 -0.95 0.00 5.75 -1.99 -0.46 115.11 118.25 3g4f h GLN 481 Ca 0.08 -0.10 0.14 0.00 -0.15 0.00 0.00 58.65 58.62 3g4f h GLN 481 Cb 0.20 -0.15 -0.08 0.00 1.07 0.00 0.00 27.48 28.52 3g4f h GLN 481 CO -0.46 0.63 0.61 0.93 -2.65 0.00 0.00 178.83 177.89 3g4f h GLU 482 N 0.77 0.81 -0.23 1.69 5.08 -1.25 -0.59 114.58 120.85 3g4f h GLU 482 Ca 0.20 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 3g4f h GLU 482 Cb 0.07 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3g4f h GLU 482 CO -0.03 0.53 -0.55 0.00 -1.00 0.00 0.00 179.01 177.96 3g4f h ALA 483 N 1.58 0.60 -0.97 3.43 0.00 -0.25 -1.73 119.26 121.92 3g4f h ALA 483 Ca 0.49 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.98 3g4f h ALA 483 Cb 0.65 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3g4f h ALA 483 CO -0.25 0.69 0.62 1.88 0.00 0.00 0.00 179.25 182.19 3g4f h TYR 484 N 0.52 1.10 -0.28 0.00 0.99 0.08 -1.53 116.97 117.85 3g4f h TYR 484 Ca 0.01 0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.61 3g4f h TYR 484 Cb 1.12 -0.35 -0.01 0.00 1.00 0.00 0.00 36.73 38.49 3g4f h TYR 484 CO 0.06 0.49 -0.46 -0.44 -0.00 0.00 0.00 178.16 177.81 3g4f h ASP 485 N 1.01 0.80 0.25 3.88 3.32 -0.74 -1.26 116.42 123.68 3g4f h ASP 485 Ca 0.46 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3g4f h ASP 485 Cb 0.39 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3g4f h ASP 485 CO -0.22 1.13 -0.12 0.58 -1.72 0.00 0.00 179.24 178.89 3g4f h VAL 486 N 0.59 0.00 -1.00 -1.35 2.07 -1.02 -2.96 116.25 112.58 3g4f h VAL 486 Ca 0.04 -0.06 0.36 0.00 0.82 0.00 0.00 66.70 67.86 3g4f h VAL 486 Cb 1.02 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.62 3g4f h VAL 486 CO 0.10 0.00 0.51 -0.26 0.02 0.00 0.00 177.57 177.94 3g4f h PHE 487 N -0.40 0.81 0.00 1.57 -1.00 -1.30 0.71 116.94 117.33 3g4f h PHE 487 Ca -0.03 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3g4f h PHE 487 Cb 0.26 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.63 3g4f h PHE 487 CO 0.13 -0.34 0.00 0.09 -1.61 0.00 0.00 178.31 176.58 3g4f n ASN 488 N -5.18 0.00 -0.08 2.17 3.02 -0.48 -1.95 115.26 112.76 3g4f n ASN 488 Ca 0.34 -0.67 -0.13 0.00 -0.03 0.00 0.00 54.58 54.09 3g4f n ASN 488 Cb 1.11 -0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 40.10 3g4f n ASN 488 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3g4f h LYS 489 N 0.00 0.00 -0.91 3.52 1.57 0.60 -3.16 116.57 118.20 3g4f h LYS 489 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 3g4f h LYS 489 Cb 0.10 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.33 3g4f h LYS 489 CO 0.00 0.62 0.58 0.45 -0.57 0.00 0.00 179.45 180.53 3g4f h HIS 490 N -1.00 0.79 -0.04 -1.35 3.86 -1.45 0.53 115.15 116.49 3g4f h HIS 490 Ca -0.14 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3g4f h HIS 490 Cb 0.85 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 3g4f h HIS 490 CO 0.05 0.26 0.01 0.28 0.86 0.00 0.00 177.93 179.40 3g4f h VAL 491 N 0.64 1.16 0.00 2.45 2.07 -1.54 -1.10 116.25 119.94 3g4f h VAL 491 Ca 0.47 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3g4f h VAL 491 Cb 0.83 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3g4f h VAL 491 CO -0.22 0.13 -0.16 -0.33 0.02 0.00 0.00 177.57 177.01 3g4f h GLU 492 N -0.12 0.00 0.09 1.57 4.39 -1.15 -0.59 114.58 118.77 3g4f h GLU 492 Ca 0.01 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.46 3g4f h GLU 492 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3g4f h GLU 492 CO -0.00 0.16 -1.14 1.03 -1.16 0.00 0.00 179.01 177.90 3g4f h SER 493 N 0.00 0.44 -0.62 1.42 0.87 -0.86 -2.63 113.55 112.17 3g4f h SER 493 Ca -0.00 -0.43 -0.07 0.00 -1.23 0.00 0.00 61.79 60.06 3g4f h SER 493 Cb 0.48 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3g4f h SER 493 CO 0.02 1.30 0.11 0.00 -0.53 0.00 0.00 176.83 177.73 3g4f h ALA 494 N 0.65 0.98 -0.04 6.23 0.00 0.20 0.58 119.26 127.86 3g4f h ALA 494 Ca -0.11 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3g4f h ALA 494 Cb 1.84 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3g4f h ALA 494 CO 0.19 0.64 -0.30 -1.49 0.00 0.00 0.00 179.25 178.30 3g4f h TRP 495 N 0.98 0.08 0.05 0.00 4.06 -1.28 0.44 115.95 120.28 3g4f h TRP 495 Ca 0.20 -0.01 -0.00 0.00 2.06 0.00 0.00 58.89 61.13 3g4f h TRP 495 Cb 0.41 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 3g4f h TRP 495 CO 0.03 0.36 -0.02 0.87 -3.56 0.00 0.00 178.44 176.12 3g4f h LYS 496 N 0.07 -0.07 -0.95 0.49 1.57 -0.97 -1.88 116.57 114.83 3g4f h LYS 496 Ca 0.01 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.98 3g4f h LYS 496 Cb 0.56 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.78 3g4f h LYS 496 CO 0.04 0.34 0.54 -0.44 -0.57 0.00 0.00 179.45 179.36 3g4f h ASP 497 N -0.49 0.66 0.49 0.86 3.32 -0.62 -1.99 116.42 118.66 3g4f h ASP 497 Ca -0.01 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3g4f h ASP 497 Cb 0.44 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3g4f h ASP 497 CO 0.01 0.22 -0.24 0.25 -1.72 0.00 0.00 179.24 177.77 3g4f h LEU 498 N 0.68 -0.56 -1.30 1.55 6.46 -0.82 -2.70 115.31 118.61 3g4f h LEU 498 Ca 0.55 -0.07 0.29 0.00 -0.12 0.00 0.00 57.88 58.53 3g4f h LEU 498 Cb 0.87 0.15 -0.11 0.00 -0.73 0.00 0.00 40.66 40.84 3g4f h LEU 498 CO -0.40 -0.18 0.68 0.78 -0.62 0.00 0.00 178.44 178.70 3g4f h ASN 499 N -1.01 0.45 -0.32 1.25 2.35 -1.16 -2.40 115.58 114.75 3g4f h ASN 499 Ca -0.07 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3g4f h ASN 499 Cb 0.60 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 3g4f h ASN 499 CO 0.11 0.03 0.08 -0.61 -1.65 0.00 0.00 177.43 175.39 3g4f h GLN 500 N 0.37 0.51 0.00 0.81 5.75 -1.21 -2.67 115.11 118.67 3g4f h GLN 500 Ca 0.64 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 59.02 3g4f h GLN 500 Cb 1.63 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 30.12 3g4f h GLN 500 CO -0.36 0.57 0.06 0.39 -2.65 0.00 0.00 178.83 176.84 3g4f n GLU 501 N -4.65 0.00 0.00 1.69 -0.58 -0.90 -1.27 120.64 114.92 3g4f n GLU 501 Ca -0.02 0.44 0.11 0.00 -0.42 0.00 0.00 57.16 57.26 3g4f n GLU 501 Cb 0.19 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.45 3g4f n GLU 501 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3g4f n PHE 502 N -1.43 0.00 -2.88 -0.32 3.01 -1.00 -4.58 117.46 110.25 3g4f n PHE 502 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 3g4f n PHE 502 Cb 0.06 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.48 3g4f n PHE 502 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3g4f s LEU 503 N -2.76 4.15 0.23 4.37 1.43 -0.40 -3.66 118.68 122.03 3g4f s LEU 503 Ca 0.13 1.15 -0.32 0.00 -1.03 0.00 0.00 54.13 54.07 3g4f s LEU 503 Cb 0.17 -3.24 -0.14 0.00 0.03 0.00 0.00 46.19 43.01 3g4f s LEU 503 CO 0.73 -0.44 1.38 0.29 0.23 0.00 0.00 176.35 178.55 3g4f n LYS 504 N 5.45 1.93 -3.56 1.70 5.02 0.73 -3.98 118.16 125.45 3g4f n LYS 504 Ca 0.05 0.69 -0.37 0.00 -2.02 0.00 0.00 58.31 56.66 3g4f n LYS 504 Cb 0.48 -2.33 -0.06 0.00 -0.02 0.00 0.00 35.03 33.10 3g4f n LYS 504 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3g4f s PRO 505 N -0.35 4.03 0.27 1.97 0.05 -1.26 -4.85 135.00 134.86 3g4f s PRO 505 Ca 0.69 0.20 -0.01 0.00 0.05 0.00 0.00 61.00 61.93 3g4f s PRO 505 Cb -0.68 -3.33 -0.04 0.00 0.05 0.00 0.00 34.50 30.51 3g4f s PRO 505 CO 0.49 0.46 0.48 0.95 0.05 0.00 0.00 177.00 179.43 3g4f s THR 506 N -0.23 5.13 0.30 1.26 -4.23 -1.26 -5.00 115.64 111.60 3g4f s THR 506 Ca 0.19 -0.30 0.20 0.00 -1.18 0.00 0.00 61.69 60.60 3g4f s THR 506 Cb -0.14 -3.78 0.18 0.00 1.34 0.00 0.00 72.50 70.10 3g4f s THR 506 CO 0.07 -0.33 1.87 -0.33 -0.54 0.00 0.00 174.62 175.36 3g4f h GLU 507 N 1.52 0.00 -4.01 3.99 5.08 -1.94 -3.46 114.58 115.77 3g4f h GLU 507 Ca -0.49 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.77 3g4f h GLU 507 Cb 1.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.31 3g4f h GLU 507 CO 0.65 0.29 -0.48 -1.64 -1.00 0.00 0.00 179.01 176.83 3g4f s MET 508 N -3.96 0.83 0.75 2.33 -1.94 -1.26 -5.14 119.30 110.91 3g4f s MET 508 Ca -0.02 -1.11 -0.15 0.00 -1.71 0.00 0.00 55.69 52.70 3g4f s MET 508 Cb 0.13 0.30 0.05 0.00 2.01 0.00 0.00 34.83 37.31 3g4f s MET 508 CO 0.66 -0.24 1.24 -2.30 -0.01 0.00 0.00 175.02 174.37 3g4f n PRO 509 N -0.04 0.54 -0.29 2.03 -0.02 -1.26 -4.68 135.00 131.29 3g4f n PRO 509 Ca -0.13 0.25 -0.03 0.00 -2.02 0.00 0.00 63.50 61.58 3g4f n PRO 509 Cb 0.62 -2.48 0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3g4f n PRO 509 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3g4f h THR 510 N -0.35 0.09 0.00 3.45 2.02 -1.99 0.09 112.91 116.22 3g4f h THR 510 Ca -0.48 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 3g4f h THR 510 Cb 1.31 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3g4f h THR 510 CO 0.49 0.00 -0.00 -0.33 0.37 0.00 0.00 175.52 176.05 3g4f h GLU 511 N -0.08 0.00 0.04 6.66 4.39 -1.99 0.11 114.58 123.69 3g4f h GLU 511 Ca 0.29 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 3g4f h GLU 511 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3g4f h GLU 511 CO -0.83 0.00 -0.02 0.28 -1.16 0.00 0.00 179.01 177.29 3g4f h VAL 512 N 0.00 0.86 -0.74 3.13 2.07 -1.34 -3.35 116.25 116.88 3g4f h VAL 512 Ca -0.00 -1.55 0.12 0.00 0.82 0.00 0.00 66.70 66.09 3g4f h VAL 512 Cb 0.00 1.59 -0.09 0.00 -1.52 0.00 0.00 31.29 31.28 3g4f h VAL 512 CO 0.00 0.28 0.33 -0.07 0.02 0.00 0.00 177.57 178.12 3g4f h LEU 513 N -0.98 0.36 -2.20 2.57 3.38 -0.66 -2.31 115.31 115.47 3g4f h LEU 513 Ca -0.00 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3g4f h LEU 513 Cb 0.49 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3g4f h LEU 513 CO 0.01 0.17 0.27 0.78 0.09 0.00 0.00 178.44 179.75 3g4f h ASN 514 N 0.51 0.00 -0.36 -0.43 2.35 -0.94 0.18 115.58 116.88 3g4f h ASN 514 Ca 0.39 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.11 3g4f h ASN 514 Cb 0.53 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 3g4f h ASN 514 CO -0.35 0.00 0.10 0.03 -1.65 0.00 0.00 177.43 175.56 3g4f h ARG 515 N 0.00 0.58 -0.00 0.81 -0.00 -1.54 -1.16 114.38 113.07 3g4f h ARG 515 Ca 0.08 -0.13 -0.22 0.00 -0.50 0.00 0.00 59.98 59.20 3g4f h ARG 515 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.50 3g4f h ARG 515 CO -0.00 0.61 -0.93 0.77 0.00 0.00 0.00 179.97 180.42 3g4f h SER 516 N 0.44 0.51 -0.11 7.04 0.02 -0.80 -2.07 113.55 118.57 3g4f h SER 516 Ca 0.12 -0.40 0.04 0.00 -0.84 0.00 0.00 61.79 60.70 3g4f h SER 516 Cb 0.29 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 3g4f h SER 516 CO -0.00 1.20 -0.13 0.25 -1.14 0.00 0.00 176.83 177.01 3g4f h LEU 517 N 0.22 -0.39 -1.39 5.07 5.85 -1.29 -2.45 115.31 120.93 3g4f h LEU 517 Ca -0.07 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3g4f h LEU 517 Cb 1.56 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 3g4f h LEU 517 CO 0.16 -0.17 -0.23 0.78 -0.34 0.00 0.00 178.44 178.64 3g4f h ASN 518 N -0.16 0.11 -0.50 1.25 2.35 -1.15 -0.25 115.58 117.22 3g4f h ASN 518 Ca 0.08 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3g4f h ASN 518 Cb 0.28 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3g4f h ASN 518 CO -0.21 0.35 0.16 -0.07 -1.65 0.00 0.00 177.43 176.01 3g4f h LEU 519 N 0.11 0.73 -0.73 1.61 3.38 -1.10 -1.73 115.31 117.57 3g4f h LEU 519 Ca 0.02 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 3g4f h LEU 519 Cb 0.47 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3g4f h LEU 519 CO 0.03 0.73 0.13 0.00 0.09 0.00 0.00 178.44 179.43 3g4f h ALA 520 N 1.02 0.95 0.00 1.53 0.00 -0.98 -2.48 119.26 119.30 3g4f h ALA 520 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3g4f h ALA 520 Cb 0.26 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3g4f h ALA 520 CO -0.01 0.66 -0.11 0.00 0.00 0.00 0.00 179.25 179.79 3g4f h ARG 521 N 1.04 0.00 -0.36 0.00 3.08 -0.84 -2.24 114.38 115.06 3g4f h ARG 521 Ca 0.21 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 3g4f h ARG 521 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3g4f h ARG 521 CO 0.01 0.11 -0.11 0.28 -1.07 0.00 0.00 179.97 179.19 3g4f h VAL 522 N 0.00 1.24 0.07 2.04 2.07 -0.84 -2.13 116.25 118.71 3g4f h VAL 522 Ca -0.00 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 3g4f h VAL 522 Cb 0.34 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3g4f h VAL 522 CO 0.01 0.36 -0.03 0.24 0.02 0.00 0.00 177.57 178.18 3g4f h MET 523 N 0.58 -0.09 -0.86 1.57 2.86 -1.38 -1.76 114.93 115.85 3g4f h MET 523 Ca 0.10 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.84 3g4f h MET 523 Cb 0.53 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.14 3g4f h MET 523 CO 0.03 0.16 0.51 0.22 1.06 0.00 0.00 176.91 178.89 3g4f h ASP 524 N -0.33 0.76 0.58 1.22 1.82 -1.38 0.12 116.42 119.22 3g4f h ASP 524 Ca -0.01 0.04 -0.11 0.00 -0.39 0.00 0.00 57.03 56.56 3g4f h ASP 524 Cb 0.28 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.16 3g4f h ASP 524 CO 0.02 0.45 -0.50 0.58 -1.61 0.00 0.00 179.24 178.17 3g4f h VAL 525 N 0.88 1.28 0.00 2.25 2.07 -1.18 -3.39 116.25 118.16 3g4f h VAL 525 Ca 0.40 -1.76 -0.16 0.00 0.82 0.00 0.00 66.70 66.01 3g4f h VAL 525 Cb 0.32 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3g4f h VAL 525 CO -0.23 0.49 -1.60 0.18 0.02 0.00 0.00 177.57 176.44 3g4f n LEU 526 N -3.83 2.60 -3.73 2.57 4.32 -0.68 -4.84 117.00 113.41 3g4f n LEU 526 Ca -0.01 -0.05 -0.39 0.00 -0.02 0.00 0.00 56.01 55.54 3g4f n LEU 526 Cb 0.53 -0.30 -0.00 0.00 -1.62 0.00 0.00 43.42 42.03 3g4f n LEU 526 CO 0.40 0.62 1.00 -1.22 -1.22 0.00 0.00 177.39 176.97 3g4f n TYR 527 N -2.74 2.72 -1.74 -1.77 4.02 0.37 -4.37 117.16 113.65 3g4f n TYR 527 Ca -0.18 -2.89 0.00 0.00 -0.01 0.00 0.00 57.90 54.82 3g4f n TYR 527 Cb 0.71 -1.08 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 3g4f n TYR 527 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 3g4f n ARG 528 N 0.71 0.00 0.12 -0.72 1.85 -1.26 -4.70 116.66 112.66 3g4f n ARG 528 Ca 0.33 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 57.15 3g4f n ARG 528 Cb 0.33 -0.13 0.00 0.00 -1.05 0.00 0.00 32.46 31.60 3g4f n ARG 528 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3g4f n GLU 529 N 0.00 0.00 0.00 2.89 2.13 -1.26 -5.11 120.64 119.29 3g4f n GLU 529 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3g4f n GLU 529 Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.02 3g4f n GLU 529 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3g4f n TYR 535 N -3.26 0.00 -0.92 4.31 4.02 -1.26 -5.03 117.16 115.02 3g4f n TYR 535 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 3g4f n TYR 535 Cb 0.00 0.00 0.21 0.00 -0.02 0.00 0.00 39.34 39.53 3g4f n TYR 535 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3g4f n VAL 536 N 0.00 2.03 -0.34 -0.72 0.24 -1.26 -5.06 118.33 113.22 3g4f n VAL 536 Ca 0.00 -1.90 0.01 0.00 -2.04 0.00 0.00 64.34 60.41 3g4f n VAL 536 Cb 0.00 -0.17 -0.01 0.00 -1.47 0.00 0.00 33.84 32.19 3g4f n VAL 536 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g4f n GLY 537 N -0.72 -3.00 0.15 7.63 0.00 -1.26 -4.11 105.19 103.88 3g4f n GLY 537 Ca 0.18 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3g4f n GLY 537 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4f h LYS 538 N -0.06 0.00 0.64 1.61 6.56 -1.97 -2.89 116.57 120.47 3g4f h LYS 538 Ca -0.01 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.55 3g4f h LYS 538 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 3g4f h LYS 538 CO 0.00 0.57 -0.35 0.00 -2.06 0.00 0.00 179.45 177.61 3g4f h ALA 539 N 1.43 -0.93 0.08 3.86 0.00 -1.91 -1.97 119.26 119.82 3g4f h ALA 539 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3g4f h ALA 539 Cb 1.10 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3g4f h ALA 539 CO 0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 179.25 178.26 3g4f h ALA 540 N -0.60 -0.10 0.00 0.00 0.00 -1.71 -2.93 119.26 113.91 3g4f h ALA 540 Ca -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3g4f h ALA 540 Cb 0.73 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3g4f h ALA 540 CO 0.11 -0.41 0.05 -0.22 0.00 0.00 0.00 179.25 178.78 3g4f h LYS 541 N -0.39 0.00 0.12 0.00 3.64 -1.56 -0.02 116.57 118.36 3g4f h LYS 541 Ca -0.01 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.01 3g4f h LYS 541 Cb 0.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3g4f h LYS 541 CO 0.02 0.00 -2.00 0.41 -2.27 0.00 0.00 179.45 175.60 3g4f n GLY 542 N -1.15 -0.57 0.19 5.01 0.00 -0.74 -3.16 105.19 104.77 3g4f n GLY 542 Ca -0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 3g4f n GLY 542 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3g4f h GLY 543 N 1.26 0.44 1.49 -0.02 0.00 -1.27 -2.52 103.07 102.45 3g4f h GLY 543 Ca -0.42 -0.55 -0.10 0.00 0.00 0.00 0.00 47.33 46.26 3g4f h GLY 543 CO 0.08 0.49 -0.20 -2.22 0.00 0.00 0.00 176.54 174.69 3g4f h ILE 544 N 0.29 1.26 -0.23 2.60 2.04 -1.17 -0.75 117.51 121.55 3g4f h ILE 544 Ca -0.01 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 3g4f h ILE 544 Cb 1.15 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3g4f h ILE 544 CO 0.11 0.40 -0.02 0.74 0.00 0.00 0.00 178.15 179.38 3g4f h THR 545 N 0.53 1.27 -0.01 -0.27 2.02 -1.49 -2.73 112.91 112.23 3g4f h THR 545 Ca 0.08 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.31 3g4f h THR 545 Cb 0.64 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3g4f h THR 545 CO 0.05 0.29 -0.53 -1.54 0.37 0.00 0.00 175.52 174.16 3g4f n SER 546 N -4.62 1.09 -0.11 4.18 3.41 -0.95 -1.63 113.62 114.98 3g4f n SER 546 Ca -0.04 -0.87 -0.14 0.00 -0.26 0.00 0.00 58.87 57.57 3g4f n SER 546 Cb 0.26 0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 64.51 3g4f n SER 546 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g4f n LEU 547 N -0.94 1.80 -0.07 1.04 4.77 -0.30 -4.80 117.00 118.50 3g4f n LEU 547 Ca 0.08 -0.08 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3g4f n LEU 547 Cb 0.37 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 3g4f n LEU 547 CO 0.33 0.73 -0.87 0.18 -1.33 0.00 0.00 177.39 176.42 3g4f n LEU 548 N -2.99 1.40 0.14 2.23 4.77 -1.03 -4.74 117.00 116.77 3g4f n LEU 548 Ca -0.37 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 55.78 3g4f n LEU 548 Cb 1.01 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3g4f n LEU 548 CO 0.30 0.08 0.20 0.40 -1.33 0.00 0.00 177.39 177.04 3g4f h ILE 549 N -0.64 0.00 -3.58 -0.08 2.04 -1.42 -3.44 117.51 110.39 3g4f h ILE 549 Ca -0.29 -0.48 -0.64 0.00 1.00 0.00 0.00 64.86 64.45 3g4f h ILE 549 Cb 1.13 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.06 3g4f h ILE 549 CO -0.18 0.00 0.06 -1.61 0.00 0.00 0.00 178.15 176.43 3g4f s GLU 550 N -2.92 3.59 1.27 2.37 2.02 -0.64 -5.05 118.70 119.33 3g4f s GLU 550 Ca -0.06 -0.10 -0.18 0.00 0.02 0.00 0.00 54.97 54.65 3g4f s GLU 550 Cb 0.01 -3.83 0.31 0.00 0.10 0.00 0.00 34.13 30.72 3g4f s GLU 550 CO 0.18 -0.74 1.01 -1.25 0.02 0.00 0.00 175.26 174.48 3g4f s PRO 551 N 2.60 -1.73 0.09 0.39 0.04 -1.26 -4.77 135.00 130.36 3g4f s PRO 551 Ca 0.22 0.32 -0.12 0.00 0.04 0.00 0.00 61.00 61.46 3g4f s PRO 551 Cb -0.15 -1.50 -0.06 0.00 0.04 0.00 0.00 34.50 32.83 3g4f s PRO 551 CO 0.15 -4.13 0.46 0.42 0.04 0.00 0.00 177.00 173.94 3g4f s ILE 552 N -2.54 4.99 -0.29 0.56 1.01 -1.26 -5.08 121.20 118.59 3g4f s ILE 552 Ca 0.69 0.65 -0.12 0.00 0.00 0.00 0.00 60.65 61.87 3g4f s ILE 552 Cb -0.17 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3g4f s ILE 552 CO 0.60 0.32 0.25 0.00 0.00 0.00 0.00 174.94 176.10 3g4f s ALA 553 N -1.37 3.53 -2.40 9.38 0.00 -1.26 -4.98 121.76 124.66 3g4f s ALA 553 Ca 0.33 -1.06 0.29 0.00 0.00 0.00 0.00 51.96 51.52 3g4f s ALA 553 Cb -0.15 -2.58 1.22 0.00 0.00 0.00 0.00 23.12 21.61 3g4f s ALA 553 CO 0.18 -0.66 1.84 1.28 0.00 0.00 0.00 175.76 178.40