#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nug s ALA 2 N 0.00 3.06 0.18 0.00 0.00 -1.26 -4.99 121.76 118.75 1nug s ALA 2 Ca 0.00 0.38 -0.32 0.00 0.00 0.00 0.00 51.96 52.02 1nug s ALA 2 Cb 0.00 -3.13 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 1nug s ALA 2 CO 0.00 0.14 1.64 -1.17 0.00 0.00 0.00 175.76 176.37 1nug s LEU 3 N -3.16 4.37 0.02 0.00 2.96 -1.26 -4.94 118.68 116.68 1nug s LEU 3 Ca 0.61 2.72 -0.22 0.00 -0.22 0.00 0.00 54.13 57.03 1nug s LEU 3 Cb -0.09 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 43.05 1nug s LEU 3 CO 0.13 -0.89 0.49 -0.83 -1.32 0.00 0.00 176.35 173.93 1nug s GLY 4 N 1.26 -0.38 0.15 7.98 0.00 -1.26 -4.92 107.32 110.14 1nug s GLY 4 Ca 0.72 0.59 -0.29 0.00 0.00 0.00 0.00 44.72 45.75 1nug s GLY 4 CO 0.32 0.31 0.92 0.14 0.00 0.00 0.00 173.10 174.79 1nug s VAL 5 N -2.13 4.38 -0.22 1.40 1.01 -1.26 -0.22 120.40 123.36 1nug s VAL 5 Ca -0.07 2.01 0.10 0.00 0.00 0.00 0.00 61.98 64.02 1nug s VAL 5 Cb -0.01 -4.29 -0.21 0.00 0.00 0.00 0.00 36.38 31.87 1nug s VAL 5 CO 0.01 0.39 -0.07 0.00 0.00 0.00 0.00 175.10 175.43 1nug n GLN 6 N 2.31 0.69 -3.60 2.72 6.02 0.45 -4.84 117.38 121.13 1nug n GLN 6 Ca -0.00 0.06 -0.04 0.00 -0.01 0.00 0.00 57.00 57.02 1nug n GLN 6 Cb 0.49 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 1nug n GLN 6 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1nug s SER 7 N -5.93 -0.15 -0.02 1.08 1.04 -1.14 -5.03 113.70 103.56 1nug s SER 7 Ca -0.21 -0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1nug s SER 7 Cb 0.07 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1nug s SER 7 CO 0.71 -0.34 -0.06 -0.51 0.98 0.00 0.00 173.24 174.03 1nug s ILE 8 N -2.57 0.53 -0.37 -1.02 2.07 -1.26 -1.30 121.20 117.28 1nug s ILE 8 Ca 0.10 -0.21 -0.09 0.00 -1.41 0.00 0.00 60.65 59.03 1nug s ILE 8 Cb 0.00 -0.49 0.04 0.00 0.13 0.00 0.00 42.46 42.14 1nug s ILE 8 CO -0.05 0.18 0.18 0.21 -1.91 0.00 0.00 174.94 173.55 1nug s ASN 9 N 0.29 5.59 0.00 4.50 3.84 0.15 -4.96 114.94 124.35 1nug s ASN 9 Ca -0.04 -1.12 0.26 0.00 0.21 0.00 0.00 52.86 52.17 1nug s ASN 9 Cb -0.08 -1.97 1.28 0.00 -0.55 0.00 0.00 41.25 39.94 1nug s ASN 9 CO -0.00 -0.39 1.87 0.79 -2.79 0.00 0.00 177.10 176.58 1nug n TRP 10 N 4.92 0.00 -4.26 0.43 7.02 -1.26 -0.62 117.44 123.68 1nug n TRP 10 Ca -0.12 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.03 1nug n TRP 10 Cb 0.45 -0.31 -0.06 0.00 -2.42 0.00 0.00 31.31 28.97 1nug n TRP 10 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1nug n GLN 11 N -1.31 -1.87 -0.21 -0.99 6.02 -1.26 -4.73 117.38 113.03 1nug n GLN 11 Ca 0.12 0.23 -0.02 0.00 -0.01 0.00 0.00 57.00 57.31 1nug n GLN 11 Cb 0.22 -4.30 0.04 0.00 1.02 0.00 0.00 30.24 27.22 1nug n GLN 11 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1nug h THR 12 N -1.57 0.28 0.09 5.09 2.02 -1.91 -0.28 112.91 116.63 1nug h THR 12 Ca -0.63 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.56 1nug h THR 12 Cb 1.39 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1nug h THR 12 CO 0.74 0.00 -0.12 0.00 0.37 0.00 0.00 175.52 176.51 1nug h ALA 13 N 1.39 -0.21 0.02 6.16 0.00 -1.98 0.01 119.26 124.65 1nug h ALA 13 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nug h ALA 13 Cb 0.51 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1nug h ALA 13 CO -0.67 -0.64 -0.02 0.35 0.00 0.00 0.00 179.25 178.27 1nug h PHE 14 N -0.25 -0.05 -0.39 0.00 3.04 -1.79 -1.03 116.94 116.47 1nug h PHE 14 Ca 0.01 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1nug h PHE 14 Cb 0.25 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1nug h PHE 14 CO -0.13 -0.03 0.12 -0.91 -2.02 0.00 0.00 178.31 175.34 1nug h ASN 15 N -0.04 0.57 -0.26 0.41 2.35 -1.00 -1.56 115.58 116.04 1nug h ASN 15 Ca 0.00 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.51 1nug h ASN 15 Cb 0.04 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1nug h ASN 15 CO -0.01 0.62 0.07 0.03 -1.65 0.00 0.00 177.43 176.49 1nug h ARG 16 N 0.48 0.50 -0.15 0.81 3.08 -0.91 0.32 114.38 118.51 1nug h ARG 16 Ca 0.13 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1nug h ARG 16 Cb 0.26 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1nug h ARG 16 CO -0.00 0.48 0.03 0.37 -1.07 0.00 0.00 179.97 179.78 1nug h GLN 17 N 0.49 0.25 -0.14 0.04 -0.00 -0.94 -0.82 115.11 114.00 1nug h GLN 17 Ca 0.11 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.65 58.66 1nug h GLN 17 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 1nug h GLN 17 CO -0.00 0.41 -0.12 0.00 0.00 0.00 0.00 178.83 179.12 1nug h ALA 18 N 0.83 1.54 -0.55 3.38 0.00 -0.43 -2.59 119.26 121.44 1nug h ALA 18 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1nug h ALA 18 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1nug h ALA 18 CO 0.00 0.33 0.00 0.72 0.00 0.00 0.00 179.25 180.30 1nug n HIS 19 N -4.29 0.85 -3.82 0.00 8.25 0.11 -4.96 115.22 111.35 1nug n HIS 19 Ca -0.01 -0.40 -0.24 0.00 -0.26 0.00 0.00 57.72 56.82 1nug n HIS 19 Cb 0.26 -0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.32 1nug n HIS 19 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1nug n HIS 20 N 1.06 -1.78 -1.01 4.41 -0.00 -0.50 -4.70 115.22 112.69 1nug n HIS 20 Ca 0.19 0.77 0.01 0.00 -0.00 0.00 0.00 57.72 58.69 1nug n HIS 20 Cb 0.53 -4.01 0.02 0.00 -0.00 0.00 0.00 29.99 26.53 1nug n HIS 20 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1nug n THR 21 N -4.32 0.47 0.58 1.59 -2.24 -0.43 -4.82 114.28 105.11 1nug n THR 21 Ca -0.29 -0.52 0.11 0.00 -2.27 0.00 0.00 64.05 61.08 1nug n THR 21 Cb 0.68 0.61 0.45 0.00 -2.10 0.00 0.00 70.33 69.97 1nug n THR 21 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nug n ASP 22 N -0.30 0.44 0.21 3.42 5.75 -1.18 -3.36 116.55 121.52 1nug n ASP 22 Ca 0.02 0.58 0.10 0.00 -0.01 0.00 0.00 54.79 55.48 1nug n ASP 22 Cb 0.51 -0.68 0.26 0.00 -1.03 0.00 0.00 41.12 40.17 1nug n ASP 22 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1nug h LYS 23 N 0.00 0.00 -6.59 0.11 1.57 -1.92 -3.45 116.57 106.29 1nug h LYS 23 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1nug h LYS 23 Cb 0.46 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.81 1nug h LYS 23 CO 0.00 0.15 0.87 -0.06 -0.57 0.00 0.00 179.45 179.85 1nug s PHE 24 N -3.29 3.04 -1.20 -1.35 0.40 -1.21 -4.82 117.98 109.55 1nug s PHE 24 Ca 0.04 0.64 -0.20 0.00 -0.60 0.00 0.00 56.93 56.81 1nug s PHE 24 Cb 0.07 -3.91 0.06 0.00 0.51 0.00 0.00 43.02 39.76 1nug s PHE 24 CO 0.66 -3.36 1.63 0.45 0.70 0.00 0.00 175.22 175.31 1nug s SER 25 N 1.22 6.72 0.00 1.36 0.15 0.25 -4.82 113.70 118.58 1nug s SER 25 Ca 0.70 -2.09 -0.29 0.00 0.70 0.00 0.00 55.95 54.97 1nug s SER 25 Cb -0.43 -2.57 0.08 0.00 -1.71 0.00 0.00 66.02 61.38 1nug s SER 25 CO 0.31 -1.29 0.70 -0.55 1.20 0.00 0.00 173.24 173.61 1nug s SER 26 N 4.49 -0.59 0.00 5.45 0.15 -1.26 -4.15 113.70 117.78 1nug s SER 26 Ca 0.51 0.45 0.21 0.00 0.70 0.00 0.00 55.95 57.82 1nug s SER 26 Cb 0.02 0.53 0.16 0.00 -1.71 0.00 0.00 66.02 65.02 1nug s SER 26 CO 0.01 -0.69 1.16 0.00 1.20 0.00 0.00 173.24 174.93 1nug n GLN 27 N 0.47 1.91 -1.45 5.44 6.02 -1.26 -4.99 117.38 123.52 1nug n GLN 27 Ca -0.17 -1.74 -0.30 0.00 -0.01 0.00 0.00 57.00 54.78 1nug n GLN 27 Cb 0.60 -1.40 0.11 0.00 1.02 0.00 0.00 30.24 30.56 1nug n GLN 27 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1nug s GLU 28 N -1.76 1.75 -0.46 -1.09 2.02 -1.26 -4.98 118.70 112.91 1nug s GLU 28 Ca 0.24 0.66 -0.25 0.00 0.02 0.00 0.00 54.97 55.64 1nug s GLU 28 Cb 0.18 -1.88 0.03 0.00 0.10 0.00 0.00 34.13 32.55 1nug s GLU 28 CO 0.27 -1.86 0.88 -1.17 0.02 0.00 0.00 175.26 173.40 1nug s LEU 29 N -5.93 4.09 -0.21 1.80 2.96 -1.26 -5.01 118.68 115.10 1nug s LEU 29 Ca 0.62 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 54.52 1nug s LEU 29 Cb -0.15 -3.12 -0.02 0.00 0.50 0.00 0.00 46.19 43.40 1nug s LEU 29 CO 0.55 -1.02 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.91 1nug s ILE 30 N 3.62 3.63 0.37 6.68 1.01 -1.26 -0.74 121.20 134.50 1nug s ILE 30 Ca 0.35 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.62 1nug s ILE 30 Cb -0.11 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 1nug s ILE 30 CO 0.25 0.42 0.06 -0.76 0.00 0.00 0.00 174.94 174.91 1nug s LEU 31 N 1.32 2.22 -0.01 2.97 1.43 0.25 -4.60 118.68 122.26 1nug s LEU 31 Ca 0.04 -1.47 0.05 0.00 -1.03 0.00 0.00 54.13 51.73 1nug s LEU 31 Cb -0.14 -0.41 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 1nug s LEU 31 CO -0.01 -0.69 -0.17 -0.13 0.23 0.00 0.00 176.35 175.58 1nug s ARG 32 N -3.83 1.39 0.80 1.70 0.52 -1.26 0.53 118.95 118.80 1nug s ARG 32 Ca 0.31 -0.64 -0.13 0.00 -0.52 0.00 0.00 55.73 54.74 1nug s ARG 32 Cb 0.07 -1.35 0.08 0.00 0.52 0.00 0.00 34.95 34.26 1nug s ARG 32 CO 0.14 0.37 1.21 -0.98 0.02 0.00 0.00 175.30 176.06 1nug s ARG 33 N -0.47 1.69 0.00 3.54 1.70 0.19 -3.37 118.95 122.23 1nug s ARG 33 Ca 0.07 1.76 0.00 0.00 -0.47 0.00 0.00 55.73 57.09 1nug s ARG 33 Cb -0.07 -1.78 0.00 0.00 -0.57 0.00 0.00 34.95 32.53 1nug s ARG 33 CO -0.00 -2.18 0.00 0.41 -1.08 0.00 0.00 175.30 172.45 1nug n GLY 34 N 0.48 0.42 3.22 3.88 0.00 -1.13 -4.54 105.19 107.52 1nug n GLY 34 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1nug n GLY 34 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nug s GLN 35 N -0.67 2.03 0.34 1.61 0.74 -1.22 -4.77 119.66 117.72 1nug s GLN 35 Ca 0.00 -0.78 -0.04 0.00 0.05 0.00 0.00 55.36 54.60 1nug s GLN 35 Cb 0.00 -1.82 -0.04 0.00 1.10 0.00 0.00 33.01 32.25 1nug s GLN 35 CO 0.00 0.38 0.60 0.54 -0.55 0.00 0.00 175.29 176.26 1nug s ASN 36 N -0.26 6.37 0.08 6.67 2.20 -1.26 -4.27 114.94 124.47 1nug s ASN 36 Ca 0.01 0.68 0.03 0.00 -0.94 0.00 0.00 52.86 52.65 1nug s ASN 36 Cb -0.11 -2.13 -0.03 0.00 -2.00 0.00 0.00 41.25 36.98 1nug s ASN 36 CO 0.01 -0.29 -0.09 0.72 -2.94 0.00 0.00 177.10 174.51 1nug s PHE 37 N -2.27 0.90 -0.11 1.54 -0.71 0.76 -4.95 117.98 113.14 1nug s PHE 37 Ca 0.44 -0.64 -0.02 0.00 -1.04 0.00 0.00 56.93 55.66 1nug s PHE 37 Cb -0.10 -0.51 -0.03 0.00 -1.21 0.00 0.00 43.02 41.16 1nug s PHE 37 CO 0.34 -0.06 -0.02 -1.14 -1.34 0.00 0.00 175.22 173.01 1nug s GLN 38 N -2.49 3.25 0.11 1.99 0.74 -1.26 -0.57 119.66 121.43 1nug s GLN 38 Ca 0.01 -0.46 0.05 0.00 0.05 0.00 0.00 55.36 55.01 1nug s GLN 38 Cb -0.04 -2.83 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 1nug s GLN 38 CO -0.01 0.52 -0.13 0.14 -0.55 0.00 0.00 175.29 175.26 1nug s VAL 39 N -0.37 1.20 -0.19 1.34 -7.23 -0.11 -4.48 120.40 110.56 1nug s VAL 39 Ca 0.07 -1.64 -0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1nug s VAL 39 Cb -0.12 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 1nug s VAL 39 CO 0.02 -0.43 -0.08 -0.76 -0.31 0.00 0.00 175.10 173.54 1nug s LEU 40 N -2.35 2.80 -0.23 1.32 1.43 0.21 -1.02 118.68 120.84 1nug s LEU 40 Ca 0.06 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1nug s LEU 40 Cb -0.05 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1nug s LEU 40 CO 0.02 0.05 -0.07 -0.04 0.23 0.00 0.00 176.35 176.54 1nug s MET 41 N 1.08 3.08 -0.43 1.70 -1.94 0.13 0.33 119.30 123.25 1nug s MET 41 Ca 0.00 -0.81 -0.20 0.00 -1.71 0.00 0.00 55.69 52.97 1nug s MET 41 Cb -0.15 -2.95 0.02 0.00 2.01 0.00 0.00 34.83 33.77 1nug s MET 41 CO -0.01 -0.29 0.62 0.42 -0.01 0.00 0.00 175.02 175.74 1nug s ILE 42 N 1.39 4.87 0.58 2.53 1.01 -0.42 -0.23 121.20 130.91 1nug s ILE 42 Ca 0.03 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.76 1nug s ILE 42 Cb -0.15 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.18 1nug s ILE 42 CO -0.05 -0.55 0.84 -0.04 0.00 0.00 0.00 174.94 175.14 1nug s MET 43 N 2.72 2.61 0.38 2.79 -1.94 0.28 -0.41 119.30 125.74 1nug s MET 43 Ca 0.21 -0.47 0.21 0.00 -1.71 0.00 0.00 55.69 53.93 1nug s MET 43 Cb -0.14 -2.39 0.53 0.00 2.01 0.00 0.00 34.83 34.84 1nug s MET 43 CO 0.18 -0.76 1.66 -2.95 -0.01 0.00 0.00 175.02 173.14 1nug h ASN 44 N -0.08 0.00 -2.35 3.03 7.08 -0.90 -3.43 115.58 118.92 1nug h ASN 44 Ca -0.44 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 52.69 1nug h ASN 44 Cb 1.29 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.51 1nug h ASN 44 CO 0.57 0.29 -0.06 2.29 -2.08 0.00 0.00 177.43 178.44 1nug n LYS 45 N -3.29 0.16 -2.16 4.14 2.85 -1.26 -5.04 118.16 113.57 1nug n LYS 45 Ca 0.01 -0.76 -0.32 0.00 -1.05 0.00 0.00 58.31 56.19 1nug n LYS 45 Cb 0.55 0.69 -0.01 0.00 -0.65 0.00 0.00 35.03 35.62 1nug n LYS 45 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1nug s GLY 46 N -1.57 2.03 -0.49 2.58 0.00 -1.26 -4.72 107.32 103.89 1nug s GLY 46 Ca 0.08 0.24 -0.28 0.00 0.00 0.00 0.00 44.72 44.76 1nug s GLY 46 CO 0.06 0.53 1.33 -2.27 0.00 0.00 0.00 173.10 172.75 1nug s LEU 47 N -4.43 3.52 0.70 0.66 0.20 -1.26 -4.99 118.68 113.08 1nug s LEU 47 Ca 0.60 0.50 -0.14 0.00 0.69 0.00 0.00 54.13 55.78 1nug s LEU 47 Cb -0.13 -3.35 0.02 0.00 -0.43 0.00 0.00 46.19 42.31 1nug s LEU 47 CO 0.37 -1.49 1.12 -0.83 -0.29 0.00 0.00 176.35 175.22 1nug s GLY 48 N 3.69 2.05 0.27 7.98 0.00 -1.26 -4.96 107.32 115.09 1nug s GLY 48 Ca 0.54 0.53 -0.01 0.00 0.00 0.00 0.00 44.72 45.77 1nug s GLY 48 CO 0.29 0.89 1.77 0.23 0.00 0.00 0.00 173.10 176.27 1nug h SER 49 N -0.35 0.73 -0.31 1.64 0.87 -2.02 -2.83 113.55 111.28 1nug h SER 49 Ca -0.46 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 1nug h SER 49 Cb 1.25 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1nug h SER 49 CO 0.52 0.80 0.00 -3.20 -0.53 0.00 0.00 176.83 174.43 1nug n ASN 50 N -4.22 2.09 -4.92 6.23 5.15 -1.26 -4.91 115.26 113.42 1nug n ASN 50 Ca 0.02 -1.89 -0.22 0.00 -0.60 0.00 0.00 54.58 51.90 1nug n ASN 50 Cb 0.30 -0.21 -0.03 0.00 -0.53 0.00 0.00 39.78 39.32 1nug n ASN 50 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1nug s GLU 51 N -1.59 3.29 -0.01 1.20 2.02 -1.07 -4.89 118.70 117.64 1nug s GLU 51 Ca 0.30 -0.83 -0.05 0.00 0.02 0.00 0.00 54.97 54.41 1nug s GLU 51 Cb 0.16 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1nug s GLU 51 CO 0.23 0.43 0.11 0.50 0.02 0.00 0.00 175.26 176.55 1nug s ARG 52 N -3.86 0.33 -0.07 1.61 3.52 -0.93 -4.88 118.95 114.68 1nug s ARG 52 Ca 0.34 -0.21 0.05 0.00 -0.13 0.00 0.00 55.73 55.78 1nug s ARG 52 Cb -0.09 0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.43 1nug s ARG 52 CO 0.28 -0.07 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.94 1nug s LEU 53 N -0.85 2.09 -0.09 -0.88 1.43 -1.26 -0.57 118.68 118.56 1nug s LEU 53 Ca -0.09 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1nug s LEU 53 Cb -0.05 -1.39 0.02 0.00 0.03 0.00 0.00 46.19 44.80 1nug s LEU 53 CO 0.01 0.22 -0.11 -1.61 0.23 0.00 0.00 176.35 175.09 1nug s GLU 54 N -0.04 1.76 0.28 1.70 2.02 0.51 -1.36 118.70 123.57 1nug s GLU 54 Ca -0.07 -0.40 -0.16 0.00 0.02 0.00 0.00 54.97 54.36 1nug s GLU 54 Cb -0.15 -1.56 -0.09 0.00 0.10 0.00 0.00 34.13 32.44 1nug s GLU 54 CO 0.05 -0.08 0.71 -0.06 0.02 0.00 0.00 175.26 175.89 1nug s PHE 55 N 1.05 3.46 -0.14 1.61 0.40 0.17 -0.37 117.98 124.16 1nug s PHE 55 Ca -0.07 1.23 -0.03 0.00 -0.60 0.00 0.00 56.93 57.45 1nug s PHE 55 Cb -0.15 -2.52 0.05 0.00 0.51 0.00 0.00 43.02 40.91 1nug s PHE 55 CO -0.01 0.19 0.05 0.42 0.70 0.00 0.00 175.22 176.58 1nug s ILE 56 N -1.82 0.17 -0.03 0.64 1.01 0.28 -1.03 121.20 120.43 1nug s ILE 56 Ca 0.50 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 61.02 1nug s ILE 56 Cb -0.12 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.67 1nug s ILE 56 CO 0.19 -0.10 -0.10 0.68 0.00 0.00 0.00 174.94 175.60 1nug s VAL 57 N 2.03 3.41 -0.06 2.92 -7.23 -0.49 0.16 120.40 121.14 1nug s VAL 57 Ca 0.02 -0.71 -0.18 0.00 -1.81 0.00 0.00 61.98 59.30 1nug s VAL 57 Cb -0.15 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.42 1nug s VAL 57 CO -0.07 0.51 0.42 -0.94 -0.31 0.00 0.00 175.10 174.70 1nug s SER 58 N -1.03 -0.35 0.02 4.85 1.04 -0.86 -1.06 113.70 116.31 1nug s SER 58 Ca 0.14 0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.99 1nug s SER 58 Cb -0.11 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 1nug s SER 58 CO 0.03 -0.41 -0.05 0.28 0.98 0.00 0.00 173.24 174.07 1nug s THR 59 N -0.92 0.38 0.00 2.02 -1.32 -0.29 -1.56 115.64 113.95 1nug s THR 59 Ca -0.10 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 1nug s THR 59 Cb -0.04 -0.41 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 1nug s THR 59 CO 0.05 -0.22 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 1nug n GLY 60 N 2.09 -1.50 0.21 6.08 0.00 -1.26 -4.18 105.19 106.62 1nug n GLY 60 Ca -0.19 -1.57 0.15 0.00 0.00 0.00 0.00 46.02 44.41 1nug n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nug h PRO 61 N 0.00 0.00 -2.08 1.61 0.13 -1.99 -3.34 132.00 126.33 1nug h PRO 61 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 1nug h PRO 61 Cb 0.00 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 30.73 1nug h PRO 61 CO 0.00 0.00 -0.96 0.66 -0.23 0.00 0.00 178.00 177.47 1nug n TYR 62 N -2.61 1.19 -1.57 1.56 4.01 -1.26 -5.09 117.16 113.39 1nug n TYR 62 Ca 0.01 -3.81 -0.51 0.00 -0.16 0.00 0.00 57.90 53.43 1nug n TYR 62 Cb 0.21 -0.43 -0.06 0.00 -0.31 0.00 0.00 39.34 38.74 1nug n TYR 62 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1nug n PRO 63 N 0.80 1.42 -3.98 -0.72 -0.02 -1.26 -4.95 135.00 126.29 1nug n PRO 63 Ca 0.25 0.46 -0.26 0.00 -2.02 0.00 0.00 63.50 61.93 1nug n PRO 63 Cb 0.52 -2.48 -0.17 0.00 -0.02 0.00 0.00 33.50 31.35 1nug n PRO 63 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nug s SER 64 N 5.77 2.03 0.36 2.55 0.15 -1.26 -4.80 113.70 118.50 1nug s SER 64 Ca 1.03 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 57.48 1nug s SER 64 Cb -0.83 -0.79 0.79 0.00 -1.71 0.00 0.00 66.02 63.48 1nug s SER 64 CO 0.53 -0.11 1.92 -0.33 1.20 0.00 0.00 173.24 176.45 1nug h GLU 65 N 8.01 0.69 -0.66 5.44 5.08 -1.90 -1.49 114.58 129.75 1nug h GLU 65 Ca -0.29 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 1nug h GLU 65 Cb 1.14 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 1nug h GLU 65 CO 0.40 0.46 0.25 0.77 -1.00 0.00 0.00 179.01 179.89 1nug h SER 66 N 0.72 0.92 -0.03 1.42 0.02 -1.95 -2.52 113.55 112.12 1nug h SER 66 Ca 0.37 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1nug h SER 66 Cb 0.48 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1nug h SER 66 CO -0.15 0.85 0.00 0.00 -1.14 0.00 0.00 176.83 176.39 1nug n ALA 67 N -2.39 2.61 -1.16 3.77 0.00 -0.68 -4.90 120.51 117.76 1nug n ALA 67 Ca 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 1nug n ALA 67 Cb 0.18 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 1nug n ALA 67 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nug n MET 68 N -0.38 -0.98 -0.36 0.00 0.00 -0.65 -4.76 117.12 109.99 1nug n MET 68 Ca 0.19 0.58 0.08 0.00 0.00 0.00 0.00 57.70 58.56 1nug n MET 68 Cb 0.21 -4.50 0.26 0.00 0.00 0.00 0.00 33.22 29.20 1nug n MET 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1nug n THR 69 N -2.54 1.01 -3.64 2.03 -2.24 -0.82 -4.57 114.28 103.50 1nug n THR 69 Ca -0.06 -0.82 -0.07 0.00 -2.27 0.00 0.00 64.05 60.83 1nug n THR 69 Cb 0.33 0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 1nug n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1nug s LYS 70 N -1.44 0.72 -0.01 -0.78 2.20 -1.17 -1.14 119.74 118.12 1nug s LYS 70 Ca 0.39 1.22 0.02 0.00 -0.36 0.00 0.00 55.97 57.24 1nug s LYS 70 Cb 0.22 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.69 1nug s LYS 70 CO 0.23 -0.15 -0.07 0.00 -0.36 0.00 0.00 175.35 175.00 1nug s ALA 71 N 1.57 0.61 -0.18 3.13 0.00 -0.22 -3.65 121.76 123.02 1nug s ALA 71 Ca -0.09 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1nug s ALA 71 Cb -0.05 -0.15 0.04 0.00 0.00 0.00 0.00 23.12 22.95 1nug s ALA 71 CO -0.19 0.15 -0.11 0.08 0.00 0.00 0.00 175.76 175.69 1nug s VAL 72 N -0.18 1.56 0.00 0.00 1.01 -1.26 -1.39 120.40 120.15 1nug s VAL 72 Ca 0.03 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1nug s VAL 72 Cb -0.03 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1nug s VAL 72 CO -0.00 0.27 -0.07 0.72 0.00 0.00 0.00 175.10 176.01 1nug s PHE 73 N 1.45 0.62 0.33 5.22 -0.71 -0.20 -4.96 117.98 119.74 1nug s PHE 73 Ca 0.01 -0.17 -0.14 0.00 -1.04 0.00 0.00 56.93 55.58 1nug s PHE 73 Cb -0.15 -0.39 -0.09 0.00 -1.21 0.00 0.00 43.02 41.19 1nug s PHE 73 CO -0.09 -0.02 0.74 -1.25 -1.34 0.00 0.00 175.22 173.26 1nug s PRO 74 N -0.39 3.97 -0.79 1.99 0.04 -1.26 0.45 135.00 139.01 1nug s PRO 74 Ca 0.01 0.64 -0.25 0.00 0.04 0.00 0.00 61.00 61.43 1nug s PRO 74 Cb -0.04 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 32.06 1nug s PRO 74 CO -0.00 0.13 1.81 -1.17 0.04 0.00 0.00 177.00 177.81 1nug s LEU 75 N -3.10 3.24 0.00 -3.56 2.96 -0.46 -4.29 118.68 113.48 1nug s LEU 75 Ca 0.54 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.12 1nug s LEU 75 Cb -0.10 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.04 1nug s LEU 75 CO 0.19 -2.42 0.00 -1.54 -1.32 0.00 0.00 176.35 171.27 1nug n SER 76 N 12.67 0.00 0.00 3.68 3.41 -0.63 -4.87 113.62 127.88 1nug n SER 76 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1nug n SER 76 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1nug n SER 76 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1nug n ASN 77 N 0.00 0.00 -4.53 4.04 5.15 -1.26 -2.98 115.26 115.68 1nug n ASN 77 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 1nug n ASN 77 Cb 0.00 0.05 -0.03 0.00 -0.53 0.00 0.00 39.78 39.27 1nug n ASN 77 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1nug s GLY 78 N -2.16 1.05 -0.45 8.20 0.00 -1.26 -4.79 107.32 107.90 1nug s GLY 78 Ca 0.00 -1.40 -0.46 0.00 0.00 0.00 0.00 44.72 42.86 1nug s GLY 78 CO 0.00 2.47 1.64 -1.26 0.00 0.00 0.00 173.10 175.95 1nug n SER 79 N 8.79 1.46 -4.60 1.64 2.88 -1.26 -4.93 113.62 117.59 1nug n SER 79 Ca 0.02 1.16 -0.26 0.00 -1.33 0.00 0.00 58.87 58.46 1nug n SER 79 Cb 0.48 -0.94 0.12 0.00 -0.75 0.00 0.00 64.21 63.12 1nug n SER 79 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1nug s SER 80 N 3.16 4.16 0.00 -3.46 0.15 -1.26 -5.09 113.70 111.37 1nug s SER 80 Ca 1.04 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1nug s SER 80 Cb -1.41 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1nug s SER 80 CO 0.78 -2.00 0.02 0.61 1.20 0.00 0.00 173.24 173.86 1nug n GLY 81 N -3.07 -2.12 0.00 9.45 0.00 -1.26 -4.76 105.19 103.42 1nug n GLY 81 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1nug n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nug n GLY 82 N 0.26 -2.49 3.78 -0.02 0.00 -1.26 -4.68 105.19 100.78 1nug n GLY 82 Ca 0.00 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1nug n GLY 82 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nug s TRP 83 N 0.00 3.61 0.11 1.61 0.52 -1.26 -3.79 118.94 119.73 1nug s TRP 83 Ca 0.00 1.75 -0.25 0.00 0.02 0.00 0.00 56.10 57.62 1nug s TRP 83 Cb 0.00 -2.96 0.07 0.00 -1.15 0.00 0.00 33.47 29.44 1nug s TRP 83 CO 0.00 0.05 0.65 -1.54 0.02 0.00 0.00 176.95 176.13 1nug s SER 84 N -1.62 -0.56 -0.04 2.95 1.04 -0.68 -4.79 113.70 109.99 1nug s SER 84 Ca 0.52 0.10 -0.01 0.00 0.48 0.00 0.00 55.95 57.04 1nug s SER 84 Cb -0.19 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.53 1nug s SER 84 CO 0.24 -0.88 0.03 0.00 0.98 0.00 0.00 173.24 173.61 1nug s ALA 85 N -3.32 0.34 -0.11 5.32 0.00 -1.26 -0.68 121.76 122.06 1nug s ALA 85 Ca -0.00 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1nug s ALA 85 Cb -0.01 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1nug s ALA 85 CO -0.09 -0.31 -0.13 0.08 0.00 0.00 0.00 175.76 175.31 1nug s VAL 86 N 1.63 3.08 -0.69 0.00 1.01 0.90 -1.60 120.40 124.73 1nug s VAL 86 Ca -0.01 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 1nug s VAL 86 Cb -0.13 -2.27 0.06 0.00 0.00 0.00 0.00 36.38 34.04 1nug s VAL 86 CO -0.03 0.54 1.07 -0.22 0.00 0.00 0.00 175.10 176.46 1nug s LEU 87 N 0.04 4.02 0.29 3.92 2.96 -1.16 -1.09 118.68 127.66 1nug s LEU 87 Ca -0.05 -0.85 0.20 0.00 -0.22 0.00 0.00 54.13 53.21 1nug s LEU 87 Cb -0.14 -2.46 0.12 0.00 0.50 0.00 0.00 46.19 44.21 1nug s LEU 87 CO 0.04 -1.56 1.34 1.56 -1.32 0.00 0.00 176.35 176.42 1nug h GLN 88 N 9.70 0.00 -1.65 1.98 4.20 -1.60 -3.48 115.11 124.26 1nug h GLN 88 Ca -0.27 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.51 1nug h GLN 88 Cb 1.06 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.62 1nug h GLN 88 CO 1.21 0.19 0.51 0.00 -0.67 0.00 0.00 178.83 180.07 1nug s ALA 89 N -3.13 -1.91 -0.11 3.87 0.00 -1.18 -5.00 121.76 114.30 1nug s ALA 89 Ca 0.03 1.52 0.01 0.00 0.00 0.00 0.00 51.96 53.52 1nug s ALA 89 Cb 0.07 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1nug s ALA 89 CO 0.74 -0.34 -0.11 -1.12 0.00 0.00 0.00 175.76 174.93 1nug s SER 90 N -1.21 2.20 -0.17 0.00 0.01 -1.26 -0.86 113.70 112.41 1nug s SER 90 Ca -0.02 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 1nug s SER 90 Cb -0.00 -0.93 0.05 0.00 0.21 0.00 0.00 66.02 65.35 1nug s SER 90 CO 0.02 -0.05 0.02 0.20 0.41 0.00 0.00 173.24 173.84 1nug s ASN 91 N 1.32 2.64 1.83 2.44 0.01 -0.65 -5.00 114.94 117.53 1nug s ASN 91 Ca -0.01 -0.67 0.00 0.00 -0.71 0.00 0.00 52.86 51.47 1nug s ASN 91 Cb -0.14 -0.59 0.00 0.00 0.41 0.00 0.00 41.25 40.94 1nug s ASN 91 CO -0.05 -0.28 0.00 0.61 -1.51 0.00 0.00 177.10 175.88 1nug n GLY 92 N 5.06 3.59 1.22 0.66 0.00 -1.26 -0.46 105.19 114.00 1nug n GLY 92 Ca -0.09 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1nug n GLY 92 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nug n ASN 93 N 7.32 4.31 -4.62 1.61 3.02 -1.26 -4.78 115.26 120.86 1nug n ASN 93 Ca 0.00 -2.69 -0.38 0.00 -0.03 0.00 0.00 54.58 51.48 1nug n ASN 93 Cb 0.00 -0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 38.54 1nug n ASN 93 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nug s THR 94 N -2.27 5.29 -0.24 3.41 2.01 0.39 -0.55 115.64 123.67 1nug s THR 94 Ca 0.44 0.31 -0.09 0.00 0.31 0.00 0.00 61.69 62.67 1nug s THR 94 Cb 0.32 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1nug s THR 94 CO 0.15 0.26 0.11 -0.76 -0.69 0.00 0.00 174.62 173.69 1nug s LEU 95 N 1.55 3.72 -0.46 4.42 1.43 0.67 -1.64 118.68 128.38 1nug s LEU 95 Ca 0.10 -0.08 -0.20 0.00 -1.03 0.00 0.00 54.13 52.93 1nug s LEU 95 Cb -0.15 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.11 1nug s LEU 95 CO 0.08 0.01 0.61 -0.89 0.23 0.00 0.00 176.35 176.40 1nug s THR 96 N 1.38 4.87 -0.11 5.49 2.01 -0.04 -0.70 115.64 128.54 1nug s THR 96 Ca 0.06 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.91 1nug s THR 96 Cb -0.15 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.12 1nug s THR 96 CO 0.05 -0.66 -0.13 -0.63 -0.69 0.00 0.00 174.62 172.57 1nug s ILE 97 N 2.69 3.11 -0.29 1.82 1.01 -0.19 -1.38 121.20 127.98 1nug s ILE 97 Ca 0.19 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 1nug s ILE 97 Cb -0.16 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1nug s ILE 97 CO 0.16 0.54 0.15 -0.55 0.00 0.00 0.00 174.94 175.23 1nug s SER 98 N 0.12 5.58 -0.07 3.58 0.15 -0.25 -0.93 113.70 121.88 1nug s SER 98 Ca -0.06 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.26 1nug s SER 98 Cb -0.15 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.11 1nug s SER 98 CO 0.05 -0.12 -0.01 -0.63 1.20 0.00 0.00 173.24 173.72 1nug s ILE 99 N 1.65 4.16 0.11 6.45 1.01 0.27 -0.07 121.20 134.79 1nug s ILE 99 Ca 0.06 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.39 1nug s ILE 99 Cb -0.16 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1nug s ILE 99 CO 0.07 0.56 -0.10 -0.55 0.00 0.00 0.00 174.94 174.92 1nug s SER 100 N -1.00 1.58 0.34 3.58 0.15 0.14 -0.17 113.70 118.33 1nug s SER 100 Ca 0.14 -0.88 0.04 0.00 0.70 0.00 0.00 55.95 55.96 1nug s SER 100 Cb -0.11 0.00 -0.07 0.00 -1.71 0.00 0.00 66.02 64.13 1nug s SER 100 CO 0.04 -0.28 0.05 -0.94 1.20 0.00 0.00 173.24 173.30 1nug s SER 101 N -2.67 2.68 0.32 5.45 1.04 -1.26 -1.69 113.70 117.57 1nug s SER 101 Ca 0.09 -1.37 -0.20 0.00 0.48 0.00 0.00 55.95 54.94 1nug s SER 101 Cb -0.01 -0.15 -0.10 0.00 0.10 0.00 0.00 66.02 65.86 1nug s SER 101 CO 0.00 -0.57 0.84 -2.16 0.98 0.00 0.00 173.24 172.33 1nug s PRO 102 N -3.85 4.26 0.00 4.02 0.04 -1.25 -3.06 135.00 135.16 1nug s PRO 102 Ca 0.36 0.99 0.09 0.00 0.04 0.00 0.00 61.00 62.48 1nug s PRO 102 Cb 0.09 -2.57 0.40 0.00 0.04 0.00 0.00 34.50 32.46 1nug s PRO 102 CO 0.16 0.20 1.23 0.00 0.04 0.00 0.00 177.00 178.63 1nug n ALA 103 N 0.06 1.47 0.21 8.56 0.00 -1.26 -1.71 120.51 127.83 1nug n ALA 103 Ca 0.03 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.51 1nug n ALA 103 Cb 0.52 -1.14 0.14 0.00 0.00 0.00 0.00 19.45 18.97 1nug n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nug n SER 104 N -1.42 2.80 -4.76 0.00 3.41 -1.26 -4.75 113.62 107.65 1nug n SER 104 Ca 0.03 -1.82 -0.38 0.00 -0.26 0.00 0.00 58.87 56.43 1nug n SER 104 Cb 0.09 -0.16 0.02 0.00 -0.26 0.00 0.00 64.21 63.90 1nug n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nug s ALA 105 N -1.15 2.92 0.36 7.33 0.00 -0.70 -4.74 121.76 125.79 1nug s ALA 105 Ca 0.25 1.19 -0.28 0.00 0.00 0.00 0.00 51.96 53.12 1nug s ALA 105 Cb 0.15 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 1nug s ALA 105 CO 0.21 -1.07 1.39 -2.14 0.00 0.00 0.00 175.76 174.15 1nug s PRO 106 N -2.76 4.18 0.58 0.00 0.02 -1.26 -4.53 135.00 131.23 1nug s PRO 106 Ca 0.67 2.37 -0.08 0.00 0.02 0.00 0.00 61.00 63.98 1nug s PRO 106 Cb -0.36 -2.98 -0.02 0.00 0.02 0.00 0.00 34.50 31.17 1nug s PRO 106 CO 0.43 -0.39 0.92 0.96 -0.33 0.00 0.00 177.00 178.59 1nug s ILE 107 N -1.15 4.29 -2.55 2.83 -4.36 -0.54 -4.86 121.20 114.86 1nug s ILE 107 Ca 0.52 0.34 0.00 0.00 -0.26 0.00 0.00 60.65 61.25 1nug s ILE 107 Cb -0.43 -3.69 0.00 0.00 1.25 0.00 0.00 42.46 39.59 1nug s ILE 107 CO 0.57 -0.78 0.00 0.61 0.24 0.00 0.00 174.94 175.58 1nug n GLY 108 N -2.58 0.77 3.67 6.27 0.00 0.28 -4.90 105.19 108.70 1nug n GLY 108 Ca 0.04 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 1nug n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nug s ARG 109 N -1.02 4.22 0.33 1.61 0.52 -1.26 -0.68 118.95 122.67 1nug s ARG 109 Ca 0.00 0.48 0.09 0.00 -0.52 0.00 0.00 55.73 55.78 1nug s ARG 109 Cb 0.00 -3.55 -0.06 0.00 0.52 0.00 0.00 34.95 31.87 1nug s ARG 109 CO 0.00 -0.12 -0.04 0.71 0.02 0.00 0.00 175.30 175.87 1nug s TYR 110 N 1.54 2.49 0.03 -0.53 1.51 -0.12 -4.20 117.35 118.07 1nug s TYR 110 Ca 0.26 -0.43 0.06 0.00 -1.01 0.00 0.00 57.07 55.95 1nug s TYR 110 Cb -0.16 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 1nug s TYR 110 CO 0.10 0.54 -0.17 0.95 -1.11 0.00 0.00 175.55 175.86 1nug s THR 111 N -2.53 1.39 -0.10 -0.71 -4.23 -0.60 -1.88 115.64 106.98 1nug s THR 111 Ca 0.33 -1.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.85 1nug s THR 111 Cb -0.00 -1.22 -0.00 0.00 1.34 0.00 0.00 72.50 72.62 1nug s THR 111 CO 0.18 0.17 -0.22 -0.32 -0.54 0.00 0.00 174.62 173.89 1nug s MET 112 N -1.00 3.10 0.24 3.99 1.75 0.19 -2.03 119.30 125.54 1nug s MET 112 Ca 0.05 -0.85 0.10 0.00 -1.25 0.00 0.00 55.69 53.74 1nug s MET 112 Cb -0.08 -2.35 -0.05 0.00 2.84 0.00 0.00 34.83 35.19 1nug s MET 112 CO 0.01 0.19 -0.18 0.00 -0.65 0.00 0.00 175.02 174.38 1nug s ALA 113 N 0.34 2.43 -0.06 4.11 0.00 0.12 -0.23 121.76 128.47 1nug s ALA 113 Ca -0.18 -1.76 0.04 0.00 0.00 0.00 0.00 51.96 50.06 1nug s ALA 113 Cb -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1nug s ALA 113 CO 0.08 0.21 -0.19 -1.17 0.00 0.00 0.00 175.76 174.70 1nug s LEU 114 N -3.34 1.91 -0.17 0.00 2.96 0.24 -0.55 118.68 119.73 1nug s LEU 114 Ca 0.26 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1nug s LEU 114 Cb -0.04 -1.09 -0.01 0.00 0.50 0.00 0.00 46.19 45.56 1nug s LEU 114 CO 0.11 0.14 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.60 1nug s GLN 115 N 0.21 3.31 -0.14 1.98 0.74 0.50 -2.11 119.66 124.16 1nug s GLN 115 Ca -0.09 -0.69 -0.01 0.00 0.05 0.00 0.00 55.36 54.62 1nug s GLN 115 Cb -0.14 -2.77 -0.02 0.00 1.10 0.00 0.00 33.01 31.18 1nug s GLN 115 CO 0.04 -0.02 -0.10 0.42 -0.55 0.00 0.00 175.29 175.08 1nug s ILE 116 N 0.96 3.35 -0.47 -2.34 1.01 0.06 -0.36 121.20 123.41 1nug s ILE 116 Ca -0.02 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 1nug s ILE 116 Cb -0.15 -2.43 0.12 0.00 0.01 0.00 0.00 42.46 40.01 1nug s ILE 116 CO -0.01 0.52 0.34 -0.36 0.00 0.00 0.00 174.94 175.43 1nug s PHE 117 N 0.33 3.42 -0.03 3.97 0.08 0.27 -1.68 117.98 124.34 1nug s PHE 117 Ca -0.08 -1.86 -0.05 0.00 0.12 0.00 0.00 56.93 55.06 1nug s PHE 117 Cb -0.15 -3.47 0.01 0.00 -0.57 0.00 0.00 43.02 38.83 1nug s PHE 117 CO 0.05 -0.99 0.12 0.45 -0.10 0.00 0.00 175.22 174.75 1nug s SER 118 N 2.64 -0.08 -1.62 1.36 0.15 -0.77 -2.19 113.70 113.20 1nug s SER 118 Ca 0.06 0.12 -0.17 0.00 0.70 0.00 0.00 55.95 56.66 1nug s SER 118 Cb -0.26 0.24 0.13 0.00 -1.71 0.00 0.00 66.02 64.41 1nug s SER 118 CO -0.01 -0.12 0.88 0.00 1.20 0.00 0.00 173.24 175.19 1nug n GLN 119 N 2.62 -4.24 -0.75 5.44 6.02 -1.26 -1.09 117.38 124.13 1nug n GLN 119 Ca -0.15 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1nug n GLN 119 Cb 0.58 -5.29 0.00 0.00 1.02 0.00 0.00 30.24 26.56 1nug n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nug n GLY 120 N -1.52 1.22 3.76 1.08 0.00 -1.26 -5.00 105.19 103.48 1nug n GLY 120 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1nug n GLY 120 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nug s GLY 121 N -2.00 3.07 -0.01 -0.02 0.00 -0.25 -5.15 107.32 102.97 1nug s GLY 121 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.57 1nug s GLY 121 CO 0.00 -2.19 -0.10 -0.42 0.00 0.00 0.00 173.10 170.39 1nug s ILE 122 N -2.92 0.76 0.02 0.90 1.01 -1.26 -1.85 121.20 117.86 1nug s ILE 122 Ca 0.03 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1nug s ILE 122 Cb 0.01 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 1nug s ILE 122 CO 0.02 0.21 -0.05 -0.94 0.00 0.00 0.00 174.94 174.18 1nug s SER 123 N -0.24 0.57 0.06 3.58 1.04 -0.67 -4.98 113.70 113.06 1nug s SER 123 Ca 0.04 -0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.21 1nug s SER 123 Cb -0.04 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 1nug s SER 123 CO -0.00 -0.11 -0.21 -0.44 0.98 0.00 0.00 173.24 173.45 1nug s SER 124 N -0.92 2.50 -0.08 7.02 0.01 -1.26 -0.76 113.70 120.21 1nug s SER 124 Ca -0.06 -0.57 -0.14 0.00 1.31 0.00 0.00 55.95 56.48 1nug s SER 124 Cb -0.06 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1nug s SER 124 CO -0.00 0.13 0.35 0.54 0.41 0.00 0.00 173.24 174.67 1nug s VAL 125 N -0.91 0.03 -0.07 3.43 0.11 -0.90 -5.01 120.40 117.08 1nug s VAL 125 Ca 0.07 -0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 58.69 1nug s VAL 125 Cb -0.09 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1nug s VAL 125 CO 0.03 -0.12 0.61 -0.75 -3.33 0.00 0.00 175.10 171.54 1nug s LYS 126 N -0.56 4.39 -0.04 1.54 2.20 -1.26 -0.59 119.74 125.42 1nug s LYS 126 Ca -0.07 0.72 -0.01 0.00 -0.36 0.00 0.00 55.97 56.26 1nug s LYS 126 Cb -0.04 -3.42 -0.26 0.00 -1.51 0.00 0.00 37.83 32.60 1nug s LYS 126 CO 0.03 0.15 0.69 -0.07 -0.36 0.00 0.00 175.35 175.79 1nug h LEU 127 N 6.52 0.32 0.00 5.43 3.38 -0.94 -3.48 115.31 126.55 1nug h LEU 127 Ca -0.42 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.01 1nug h LEU 127 Cb 1.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1nug h LEU 127 CO 0.74 1.47 0.00 0.61 0.09 0.00 0.00 178.44 181.35 1nug n GLY 128 N 1.73 -0.27 3.38 0.83 0.00 -1.06 -5.00 105.19 104.80 1nug n GLY 128 Ca -0.20 -1.46 -0.19 0.00 0.00 0.00 0.00 46.02 44.16 1nug n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nug s THR 129 N -2.76 1.56 0.18 2.61 -4.23 -1.26 0.55 115.64 112.29 1nug s THR 129 Ca 0.00 -2.14 -0.19 0.00 -1.18 0.00 0.00 61.69 58.19 1nug s THR 129 Cb 0.00 -2.28 0.04 0.00 1.34 0.00 0.00 72.50 71.59 1nug s THR 129 CO 0.00 -0.41 0.53 0.72 -0.54 0.00 0.00 174.62 174.92 1nug s PHE 130 N -3.07 -0.23 -0.13 3.99 -0.71 -0.79 -4.59 117.98 112.46 1nug s PHE 130 Ca 0.27 -0.09 -0.01 0.00 -1.04 0.00 0.00 56.93 56.05 1nug s PHE 130 Cb 0.03 0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 1nug s PHE 130 CO 0.09 -0.89 -0.09 0.42 -1.34 0.00 0.00 175.22 173.42 1nug s ILE 131 N -3.84 3.48 -0.12 -4.49 1.01 0.08 -0.95 121.20 116.37 1nug s ILE 131 Ca 0.07 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1nug s ILE 131 Cb -0.01 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 1nug s ILE 131 CO -0.06 0.53 -0.16 -0.22 0.00 0.00 0.00 174.94 175.03 1nug s LEU 132 N 0.14 2.56 0.40 2.97 2.96 0.14 0.86 118.68 128.71 1nug s LEU 132 Ca -0.04 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.54 1nug s LEU 132 Cb -0.14 -1.56 -0.06 0.00 0.50 0.00 0.00 46.19 44.93 1nug s LEU 132 CO 0.04 0.17 0.04 -0.76 -1.32 0.00 0.00 176.35 174.52 1nug s LEU 133 N 0.30 2.46 0.57 -0.68 1.43 0.19 -0.56 118.68 122.38 1nug s LEU 133 Ca -0.12 -1.46 -0.20 0.00 -1.03 0.00 0.00 54.13 51.33 1nug s LEU 133 Cb -0.16 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 1nug s LEU 133 CO 0.06 -0.62 1.23 -0.36 0.23 0.00 0.00 176.35 176.89 1nug s PHE 134 N -2.98 2.42 -0.68 0.29 0.08 -0.94 -0.64 117.98 115.52 1nug s PHE 134 Ca 0.29 1.49 0.02 0.00 0.12 0.00 0.00 56.93 58.85 1nug s PHE 134 Cb 0.07 -3.54 0.17 0.00 -0.57 0.00 0.00 43.02 39.15 1nug s PHE 134 CO 0.14 -2.28 0.48 1.21 -0.10 0.00 0.00 175.22 174.67 1nug s ASN 135 N -1.43 5.02 0.17 1.36 3.84 -1.26 -4.67 114.94 117.97 1nug s ASN 135 Ca 0.75 -3.41 0.11 0.00 0.21 0.00 0.00 52.86 50.52 1nug s ASN 135 Cb -0.32 -1.74 0.61 0.00 -0.55 0.00 0.00 41.25 39.25 1nug s ASN 135 CO 0.36 -0.20 1.34 -2.65 -2.79 0.00 0.00 177.10 173.16 1nug n PRO 136 N 2.65 0.07 0.13 0.43 -0.02 -1.26 -1.35 135.00 135.65 1nug n PRO 136 Ca 0.14 0.57 0.12 0.00 -2.02 0.00 0.00 63.50 62.30 1nug n PRO 136 Cb 0.35 -1.75 0.04 0.00 -0.02 0.00 0.00 33.50 32.13 1nug n PRO 136 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1nug h TRP 137 N 0.00 0.00 -3.57 6.00 6.55 -1.88 -0.44 115.95 122.60 1nug h TRP 137 Ca 0.00 0.00 -0.62 0.00 0.95 0.00 0.00 58.89 59.22 1nug h TRP 137 Cb 0.01 0.00 -0.12 0.00 -0.86 0.00 0.00 29.16 28.19 1nug h TRP 137 CO 0.00 0.00 0.36 -1.17 -1.05 0.00 0.00 178.44 176.58 1nug s LEU 138 N -5.51 4.18 0.64 -4.49 2.96 -0.45 -4.95 118.68 111.05 1nug s LEU 138 Ca 0.01 0.15 0.25 0.00 -0.22 0.00 0.00 54.13 54.32 1nug s LEU 138 Cb 0.09 -2.99 1.30 0.00 0.50 0.00 0.00 46.19 45.08 1nug s LEU 138 CO 0.76 -0.81 1.73 -0.55 -1.32 0.00 0.00 176.35 176.17 1nug h ASN 139 N 8.70 0.00 0.23 3.68 -1.07 -1.88 0.12 115.58 125.35 1nug h ASN 139 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.12 1nug h ASN 139 Cb 1.09 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.34 1nug h ASN 139 CO 0.93 0.00 -0.83 1.33 0.07 0.00 0.00 177.43 178.93 1nug n VAL 140 N -3.12 0.02 -2.49 6.14 0.24 -1.26 -4.90 118.33 112.96 1nug n VAL 140 Ca 0.04 -0.03 -0.38 0.00 -2.04 0.00 0.00 64.34 61.93 1nug n VAL 140 Cb 0.65 0.63 -0.04 0.00 -1.47 0.00 0.00 33.84 33.62 1nug n VAL 140 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1nug s ASP 141 N -3.11 6.91 0.34 -1.34 3.68 0.41 -4.92 116.67 118.64 1nug s ASP 141 Ca 0.09 2.16 0.26 0.00 2.13 0.00 0.00 52.55 57.19 1nug s ASP 141 Cb 0.16 -2.60 1.13 0.00 -1.45 0.00 0.00 42.92 40.16 1nug s ASP 141 CO 0.80 -0.39 1.79 0.77 0.13 0.00 0.00 175.17 178.27 1nug h SER 142 N 2.99 0.00 -0.55 -0.34 4.64 -1.86 -2.16 113.55 116.27 1nug h SER 142 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1nug h SER 142 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1nug h SER 142 CO 0.64 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.93 1nug n VAL 143 N -2.47 1.03 -1.65 0.95 0.24 -1.26 -0.97 118.33 114.20 1nug n VAL 143 Ca 0.01 -0.83 -0.49 0.00 -2.04 0.00 0.00 64.34 61.00 1nug n VAL 143 Cb 0.23 0.24 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 1nug n VAL 143 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1nug n PHE 144 N 1.04 2.06 -3.81 6.34 7.35 -0.81 -4.46 117.46 125.18 1nug n PHE 144 Ca 0.20 0.35 -0.29 0.00 -0.76 0.00 0.00 57.45 56.94 1nug n PHE 144 Cb 0.58 -2.50 -0.16 0.00 0.35 0.00 0.00 39.48 37.76 1nug n PHE 144 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1nug s MET 145 N 1.48 0.99 0.29 -4.13 -2.45 -0.18 -4.92 119.30 110.38 1nug s MET 145 Ca 0.84 -0.87 0.03 0.00 -1.25 0.00 0.00 55.69 54.44 1nug s MET 145 Cb -0.78 -2.26 0.44 0.00 1.25 0.00 0.00 34.83 33.48 1nug s MET 145 CO 0.44 -0.76 1.74 0.78 1.05 0.00 0.00 175.02 178.27 1nug h GLY 146 N 8.08 0.48 -4.72 2.11 0.00 -1.94 -3.44 103.07 103.64 1nug h GLY 146 Ca -0.15 -0.39 -0.55 0.00 0.00 0.00 0.00 47.33 46.25 1nug h GLY 146 CO 0.41 0.35 0.66 0.21 0.00 0.00 0.00 176.54 178.17 1nug s ASN 147 N -6.82 7.07 0.11 0.19 3.84 -1.26 -4.96 114.94 113.11 1nug s ASN 147 Ca -0.07 1.84 -0.30 0.00 0.21 0.00 0.00 52.86 54.54 1nug s ASN 147 Cb 0.14 -2.56 -0.10 0.00 -0.55 0.00 0.00 41.25 38.17 1nug s ASN 147 CO 0.78 -0.55 1.60 -0.74 -2.79 0.00 0.00 177.10 175.41 1nug h HIS 148 N 7.31 -1.02 -0.62 0.43 -0.00 -1.99 -1.10 115.15 118.16 1nug h HIS 148 Ca -0.36 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.03 1nug h HIS 148 Cb 1.17 0.42 -0.03 0.00 -0.00 0.00 0.00 27.41 28.98 1nug h HIS 148 CO 0.72 -0.49 0.36 0.00 -0.00 0.00 0.00 177.93 178.52 1nug h ALA 149 N -0.11 0.79 0.13 5.26 0.00 -1.99 -0.67 119.26 122.68 1nug h ALA 149 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1nug h ALA 149 Cb 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1nug h ALA 149 CO -0.18 0.29 -0.06 0.93 0.00 0.00 0.00 179.25 180.22 1nug h GLU 150 N 0.84 -0.17 -0.54 0.00 5.08 -1.96 -1.48 114.58 116.36 1nug h GLU 150 Ca 0.22 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1nug h GLU 150 Cb 0.00 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1nug h GLU 150 CO -0.04 -0.04 0.36 -0.09 -1.00 0.00 0.00 179.01 178.20 1nug h ARG 151 N -0.25 0.55 -0.52 2.33 2.43 -1.04 0.11 114.38 117.99 1nug h ARG 151 Ca -0.02 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1nug h ARG 151 Cb 0.20 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1nug h ARG 151 CO 0.03 0.37 -0.01 0.93 -1.51 0.00 0.00 179.97 179.78 1nug h GLU 152 N 0.57 0.92 -0.12 0.20 4.39 -0.70 -1.81 114.58 118.04 1nug h GLU 152 Ca 0.22 -0.30 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 1nug h GLU 152 Cb 0.17 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1nug h GLU 152 CO -0.06 0.95 -0.45 1.49 -1.16 0.00 0.00 179.01 179.77 1nug h GLU 153 N 0.79 0.51 -0.01 2.33 4.57 -0.31 -0.51 114.58 121.96 1nug h GLU 153 Ca 0.15 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1nug h GLU 153 Cb 0.53 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1nug h GLU 153 CO 0.03 1.02 -0.03 0.66 -1.18 0.00 0.00 179.01 179.51 1nug n TYR 154 N -4.27 0.00 0.00 0.92 4.01 0.27 -3.75 117.16 114.35 1nug n TYR 154 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1nug n TYR 154 Cb 0.57 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1nug n TYR 154 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1nug n VAL 155 N -0.64 0.00 0.26 -0.72 0.31 -0.68 -0.95 118.33 115.91 1nug n VAL 155 Ca 0.20 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.64 1nug n VAL 155 Cb 0.23 -0.73 0.10 0.00 -0.91 0.00 0.00 33.84 32.53 1nug n VAL 155 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1nug h GLN 156 N 0.00 0.00 -6.23 5.55 1.08 -1.36 -3.45 115.11 110.70 1nug h GLN 156 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 1nug h GLN 156 Cb 0.28 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.67 1nug h GLN 156 CO 0.00 0.00 0.61 -2.00 -0.95 0.00 0.00 178.83 176.49 1nug s GLU 157 N -3.27 4.39 0.00 1.46 2.56 -0.29 -4.93 118.70 118.62 1nug s GLU 157 Ca 0.03 1.40 0.16 0.00 0.00 0.00 0.00 54.97 56.56 1nug s GLU 157 Cb 0.09 -3.56 0.05 0.00 2.00 0.00 0.00 34.13 32.71 1nug s GLU 157 CO 0.74 -0.37 0.90 -0.40 -0.56 0.00 0.00 175.26 175.56 1nug n ASP 158 N 5.24 1.88 -4.56 -1.70 5.75 -1.26 -4.91 116.55 116.99 1nug n ASP 158 Ca 0.09 -1.44 -0.34 0.00 -0.01 0.00 0.00 54.79 53.10 1nug n ASP 158 Cb 0.48 0.29 -0.11 0.00 -1.03 0.00 0.00 41.12 40.75 1nug n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nug s ALA 159 N -1.65 3.07 0.31 2.12 0.00 -1.26 -1.08 121.76 123.27 1nug s ALA 159 Ca 0.15 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1nug s ALA 159 Cb 0.13 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1nug s ALA 159 CO 0.31 0.39 0.21 0.20 0.00 0.00 0.00 175.76 176.88 1nug s GLY 160 N -0.23 2.16 -0.04 0.00 0.00 -0.06 -4.94 107.32 104.21 1nug s GLY 160 Ca 0.04 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 42.92 1nug s GLY 160 CO 0.02 -1.52 -0.05 -0.42 0.00 0.00 0.00 173.10 171.13 1nug s ILE 161 N -3.57 0.60 -0.15 0.90 -1.09 -1.26 -1.84 121.20 114.79 1nug s ILE 161 Ca 0.38 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.63 1nug s ILE 161 Cb 0.04 -0.61 0.03 0.00 -1.58 0.00 0.00 42.46 40.34 1nug s ILE 161 CO 0.22 0.23 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.41 1nug s ILE 162 N 0.82 1.47 0.38 2.92 1.01 -0.56 -4.43 121.20 122.80 1nug s ILE 162 Ca -0.12 -0.61 -0.25 0.00 0.00 0.00 0.00 60.65 59.68 1nug s ILE 162 Cb -0.14 -1.42 -0.09 0.00 0.01 0.00 0.00 42.46 40.81 1nug s ILE 162 CO 0.01 0.40 1.02 -0.36 0.00 0.00 0.00 174.94 176.01 1nug s PHE 163 N 1.52 3.40 0.00 3.97 0.40 -1.26 -1.19 117.98 124.82 1nug s PHE 163 Ca 0.04 1.68 0.00 0.00 -0.60 0.00 0.00 56.93 58.05 1nug s PHE 163 Cb -0.13 -3.06 0.00 0.00 0.51 0.00 0.00 43.02 40.34 1nug s PHE 163 CO -0.10 -0.36 0.00 1.33 0.70 0.00 0.00 175.22 176.79 1nug n VAL 164 N 0.11 0.00 0.00 -0.44 0.24 0.17 -4.83 118.33 113.59 1nug n VAL 164 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1nug n VAL 164 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1nug n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nug n GLY 165 N 0.00 0.94 3.63 7.63 0.00 -1.26 -0.34 105.19 115.79 1nug n GLY 165 Ca 0.00 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 1nug n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nug s SER 166 N -4.00 0.31 0.12 1.61 1.04 -0.80 -4.61 113.70 107.36 1nug s SER 166 Ca 0.00 -1.18 0.19 0.00 0.48 0.00 0.00 55.95 55.44 1nug s SER 166 Cb 0.00 0.70 0.79 0.00 0.10 0.00 0.00 66.02 67.60 1nug s SER 166 CO 0.00 -1.36 1.58 0.35 0.98 0.00 0.00 173.24 174.79 1nug n THR 167 N -0.50 0.91 0.01 2.02 -2.24 -1.26 -2.09 114.28 111.13 1nug n THR 167 Ca -0.03 0.24 0.08 0.00 -2.27 0.00 0.00 64.05 62.07 1nug n THR 167 Cb 0.61 -1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 67.65 1nug n THR 167 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1nug n ASN 168 N -1.84 0.27 -3.31 3.42 4.13 -1.26 -4.80 115.26 111.87 1nug n ASN 168 Ca 0.03 0.11 -0.11 0.00 1.68 0.00 0.00 54.58 56.29 1nug n ASN 168 Cb 0.20 1.38 -0.05 0.00 -1.54 0.00 0.00 39.78 39.77 1nug n ASN 168 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1nug s ARG 169 N -3.33 0.68 -0.16 3.52 0.52 -0.89 -5.13 118.95 114.16 1nug s ARG 169 Ca -0.06 -0.60 -0.29 0.00 -0.52 0.00 0.00 55.73 54.26 1nug s ARG 169 Cb 0.12 -0.44 -0.00 0.00 0.52 0.00 0.00 34.95 35.15 1nug s ARG 169 CO 0.87 -1.18 1.01 0.42 0.02 0.00 0.00 175.30 176.43 1nug s ILE 170 N 1.64 4.75 0.49 1.52 1.01 -1.15 -1.90 121.20 127.57 1nug s ILE 170 Ca 0.16 2.01 0.02 0.00 0.00 0.00 0.00 60.65 62.83 1nug s ILE 170 Cb -0.12 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 1nug s ILE 170 CO -0.06 -0.07 0.01 -0.83 0.00 0.00 0.00 174.94 173.99 1nug s GLY 171 N 1.14 2.95 0.04 6.18 0.00 0.54 -4.96 107.32 113.22 1nug s GLY 171 Ca 0.46 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.56 1nug s GLY 171 CO 0.13 -2.16 0.01 -3.16 0.00 0.00 0.00 173.10 167.92 1nug s MET 172 N -3.85 0.53 0.01 2.90 0.23 -1.26 0.46 119.30 118.32 1nug s MET 172 Ca 0.09 -0.93 0.01 0.00 -1.03 0.00 0.00 55.69 53.84 1nug s MET 172 Cb 0.02 0.19 -0.01 0.00 -1.53 0.00 0.00 34.83 33.51 1nug s MET 172 CO 0.05 -0.11 -0.05 0.96 -2.03 0.00 0.00 175.02 173.84 1nug s ILE 173 N -2.91 0.35 0.56 3.16 -4.36 -0.33 -4.91 121.20 112.76 1nug s ILE 173 Ca -0.02 -0.47 -0.16 0.00 -0.26 0.00 0.00 60.65 59.74 1nug s ILE 173 Cb 0.01 -0.35 -0.05 0.00 1.25 0.00 0.00 42.46 43.31 1nug s ILE 173 CO -0.06 -0.08 1.03 -0.83 0.24 0.00 0.00 174.94 175.24 1nug s GLY 174 N -0.59 2.15 -0.11 6.27 0.00 -1.26 -1.50 107.32 112.27 1nug s GLY 174 Ca -0.03 0.35 -0.07 0.00 0.00 0.00 0.00 44.72 44.97 1nug s GLY 174 CO -0.00 0.65 0.27 0.86 0.00 0.00 0.00 173.10 174.88 1nug s TRP 175 N -2.46 -0.35 -0.58 1.90 -0.11 -0.77 -4.85 118.94 111.72 1nug s TRP 175 Ca 0.62 0.83 -0.19 0.00 1.22 0.00 0.00 56.10 58.59 1nug s TRP 175 Cb -0.14 0.09 0.10 0.00 -1.50 0.00 0.00 33.47 32.01 1nug s TRP 175 CO 0.33 -0.22 0.68 1.21 -4.62 0.00 0.00 176.95 174.33 1nug s ASN 176 N 1.01 6.19 0.15 5.86 2.47 0.53 -0.88 114.94 130.26 1nug s ASN 176 Ca -0.07 -1.35 -0.12 0.00 0.42 0.00 0.00 52.86 51.74 1nug s ASN 176 Cb -0.08 -2.30 0.02 0.00 -1.45 0.00 0.00 41.25 37.45 1nug s ASN 176 CO -0.07 -1.07 1.61 -0.26 -3.72 0.00 0.00 177.10 173.59 1nug h PHE 177 N 9.15 0.96 -6.45 0.43 0.05 -1.43 0.45 116.94 120.10 1nug h PHE 177 Ca -0.29 -0.16 -0.50 0.00 3.82 0.00 0.00 57.97 60.83 1nug h PHE 177 Cb 1.09 -0.25 -0.17 0.00 2.00 0.00 0.00 35.95 38.62 1nug h PHE 177 CO 0.82 0.89 -0.76 0.41 -0.18 0.00 0.00 178.31 179.49 1nug n GLY 178 N -0.41 -0.46 0.31 -1.45 0.00 -1.11 -4.37 105.19 97.70 1nug n GLY 178 Ca 0.01 0.13 0.20 0.00 0.00 0.00 0.00 46.02 46.36 1nug n GLY 178 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1nug h GLN 179 N -1.42 0.00 -0.01 1.61 -0.00 -1.87 -1.91 115.11 111.52 1nug h GLN 179 Ca -0.55 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.10 1nug h GLN 179 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.84 1nug h GLN 179 CO 0.72 0.02 -0.46 1.19 -0.00 0.00 0.00 178.83 180.30 1nug n PHE 180 N -3.22 0.00 -1.92 0.06 3.72 -1.26 -4.11 117.46 110.74 1nug n PHE 180 Ca -0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.03 1nug n PHE 180 Cb 0.15 -0.14 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1nug n PHE 180 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1nug s GLU 181 N -2.73 2.90 -0.17 -1.08 0.41 -0.72 -0.58 118.70 116.72 1nug s GLU 181 Ca 0.17 1.64 -0.41 0.00 -0.41 0.00 0.00 54.97 55.95 1nug s GLU 181 Cb 0.18 -1.94 -0.19 0.00 -1.78 0.00 0.00 34.13 30.40 1nug s GLU 181 CO 0.63 -1.22 1.38 -1.91 -0.49 0.00 0.00 175.26 173.65 1nug n GLU 182 N -1.92 0.38 -0.48 1.61 4.07 -1.26 -1.63 120.64 121.42 1nug n GLU 182 Ca 0.12 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 1nug n GLU 182 Cb 0.51 -1.69 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 1nug n GLU 182 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1nug n ASP 183 N 3.00 0.00 -0.04 4.31 4.64 -1.26 -4.86 116.55 122.33 1nug n ASP 183 Ca 0.24 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.53 1nug n ASP 183 Cb 0.07 -1.19 -0.07 0.00 -1.04 0.00 0.00 41.12 38.89 1nug n ASP 183 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1nug h ILE 184 N 0.00 1.28 -0.57 5.18 1.08 -1.61 -1.48 117.51 121.40 1nug h ILE 184 Ca 0.00 -0.94 0.05 0.00 -0.39 0.00 0.00 64.86 63.58 1nug h ILE 184 Cb 0.00 1.65 -0.05 0.00 -3.07 0.00 0.00 36.82 35.35 1nug h ILE 184 CO 0.00 0.27 0.29 0.25 -0.69 0.00 0.00 178.15 178.27 1nug h LEU 185 N -0.06 0.42 -0.43 1.44 5.85 -1.75 -0.13 115.31 120.65 1nug h LEU 185 Ca 0.03 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1nug h LEU 185 Cb 0.43 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1nug h LEU 185 CO 0.01 0.28 0.14 -1.28 -0.34 0.00 0.00 178.44 177.26 1nug h SER 186 N 0.56 0.14 -0.47 1.25 0.87 -1.90 -0.36 113.55 113.63 1nug h SER 186 Ca 0.25 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.80 1nug h SER 186 Cb 0.16 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1nug h SER 186 CO -0.17 0.11 0.03 0.40 -0.53 0.00 0.00 176.83 176.67 1nug h ILE 187 N 0.31 1.26 -0.17 2.23 2.04 -0.68 0.02 117.51 122.51 1nug h ILE 187 Ca 0.20 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 1nug h ILE 187 Cb 0.20 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1nug h ILE 187 CO -0.21 0.35 -0.08 0.00 0.00 0.00 0.00 178.15 178.20 1nug h LEU 189 N 0.25 0.95 -2.06 0.00 3.38 -0.67 -3.12 115.31 114.04 1nug h LEU 189 Ca 0.05 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 1nug h LEU 189 Cb 0.31 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1nug h LEU 189 CO 0.02 1.35 -0.09 0.77 0.09 0.00 0.00 178.44 180.58 1nug h SER 190 N 0.60 0.00 -0.99 -0.43 4.64 0.00 -2.58 113.55 114.78 1nug h SER 190 Ca -0.01 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.41 1nug h SER 190 Cb 1.24 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.25 1nug h SER 190 CO 0.13 0.09 0.63 0.40 -0.87 0.00 0.00 176.83 177.21 1nug h ILE 191 N 0.00 0.98 0.00 0.95 2.04 -1.30 -1.19 117.51 118.99 1nug h ILE 191 Ca -0.00 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1nug h ILE 191 Cb 0.21 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1nug h ILE 191 CO 0.01 0.19 -0.22 -0.07 0.00 0.00 0.00 178.15 178.06 1nug h LEU 192 N 1.04 0.00 -1.07 1.44 3.38 -1.61 -1.47 115.31 117.02 1nug h LEU 192 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1nug h LEU 192 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1nug h LEU 192 CO -0.23 0.22 0.00 0.47 0.09 0.00 0.00 178.44 179.00 1nug n ASP 193 N -3.93 1.55 0.00 -0.43 8.00 -0.46 -3.73 116.55 117.54 1nug n ASP 193 Ca -0.02 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.44 1nug n ASP 193 Cb 0.31 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1nug n ASP 193 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1nug n ARG 194 N 0.26 -0.11 -1.76 -1.24 5.12 -0.57 -4.89 116.66 113.47 1nug n ARG 194 Ca 0.09 -0.42 -0.29 0.00 -1.93 0.00 0.00 57.85 55.30 1nug n ARG 194 Cb 0.26 -0.77 0.12 0.00 -1.16 0.00 0.00 32.46 30.91 1nug n ARG 194 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1nug s SER 195 N -0.11 3.95 0.22 0.55 1.04 -1.11 -4.91 113.70 113.34 1nug s SER 195 Ca 0.00 0.79 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 1nug s SER 195 Cb 0.00 -1.26 0.20 0.00 0.10 0.00 0.00 66.02 65.06 1nug s SER 195 CO 0.00 -2.26 1.71 -0.07 0.98 0.00 0.00 173.24 173.60 1nug h LEU 196 N -1.30 0.93 -0.23 2.42 3.38 -1.94 -2.44 115.31 116.14 1nug h LEU 196 Ca -0.47 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.27 1nug h LEU 196 Cb 1.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1nug h LEU 196 CO 0.61 0.97 0.13 0.78 0.09 0.00 0.00 178.44 181.02 1nug h ASN 197 N 0.90 0.22 -0.53 -0.43 4.21 -1.94 0.11 115.58 118.11 1nug h ASN 197 Ca 0.17 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.63 1nug h ASN 197 Cb 0.47 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 37.60 1nug h ASN 197 CO 0.02 0.16 0.14 0.15 -1.29 0.00 0.00 177.43 176.62 1nug h PHE 198 N 0.28 0.92 -0.02 1.19 3.04 -1.77 -1.11 116.94 119.47 1nug h PHE 198 Ca 0.09 -0.09 -0.17 0.00 3.98 0.00 0.00 57.97 61.78 1nug h PHE 198 Cb -0.01 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.22 1nug h PHE 198 CO -0.08 0.76 -0.77 0.00 -2.02 0.00 0.00 178.31 176.20 1nug h ARG 199 N 0.85 0.16 0.18 1.11 3.08 -1.16 -1.43 114.38 117.18 1nug h ARG 199 Ca 0.19 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1nug h ARG 199 Cb 0.30 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1nug h ARG 199 CO -0.00 0.85 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.57 1nug h ARG 200 N 0.10 -0.24 -1.51 0.04 2.43 -0.35 -3.42 114.38 111.44 1nug h ARG 200 Ca -0.03 0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 58.93 1nug h ARG 200 Cb 1.36 0.05 -0.25 0.00 -0.42 0.00 0.00 29.97 30.71 1nug h ARG 200 CO 0.11 0.04 -0.59 0.34 -1.51 0.00 0.00 179.97 178.37 1nug s ASP 201 N -5.20 -0.12 0.27 -3.80 -1.08 -0.46 -5.04 116.67 101.24 1nug s ASP 201 Ca -0.15 -1.32 -0.01 0.00 -0.52 0.00 0.00 52.55 50.56 1nug s ASP 201 Cb 0.03 1.20 0.49 0.00 -1.46 0.00 0.00 42.92 43.18 1nug s ASP 201 CO 0.61 -0.20 1.83 0.00 0.52 0.00 0.00 175.17 177.93 1nug h ALA 202 N 6.85 1.38 -0.75 3.66 0.00 -1.44 -1.59 119.26 127.36 1nug h ALA 202 Ca 0.06 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nug h ALA 202 Cb 1.11 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1nug h ALA 202 CO 0.15 0.19 0.50 0.00 0.00 0.00 0.00 179.25 180.09 1nug h ALA 203 N 1.50 0.96 0.05 0.00 0.00 -1.93 -2.20 119.26 117.65 1nug h ALA 203 Ca 0.46 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 55.09 1nug h ALA 203 Cb 0.43 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1nug h ALA 203 CO -0.26 0.35 -1.04 1.15 0.00 0.00 0.00 179.25 179.45 1nug h THR 204 N 1.00 1.48 0.38 0.00 2.02 -1.86 -3.01 112.91 112.92 1nug h THR 204 Ca 0.28 -2.79 -0.02 0.00 0.77 0.00 0.00 66.41 64.66 1nug h THR 204 Cb -0.09 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1nug h THR 204 CO -0.07 0.82 -0.18 -0.78 0.37 0.00 0.00 175.52 175.67 1nug h ASP 205 N 0.12 -0.43 -0.80 4.18 3.58 -1.12 -1.18 116.42 120.77 1nug h ASP 205 Ca -0.09 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.38 1nug h ASP 205 Cb 1.72 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 42.84 1nug h ASP 205 CO 0.17 -0.28 0.53 0.58 -2.88 0.00 0.00 179.24 177.36 1nug h VAL 206 N -0.54 1.15 -0.49 2.25 2.07 -1.51 -1.83 116.25 117.36 1nug h VAL 206 Ca -0.05 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 1nug h VAL 206 Cb 0.41 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1nug h VAL 206 CO 0.08 0.19 -0.08 0.00 0.02 0.00 0.00 177.57 177.79 1nug h ALA 207 N 1.52 0.95 0.00 1.67 0.00 -1.36 -2.52 119.26 119.52 1nug h ALA 207 Ca 0.31 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nug h ALA 207 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1nug h ALA 207 CO -0.08 0.62 0.00 0.43 0.00 0.00 0.00 179.25 180.22 1nug n SER 208 N -4.17 0.00 0.00 0.00 7.64 -0.46 -3.54 113.62 113.09 1nug n SER 208 Ca 0.02 0.09 0.01 0.00 1.01 0.00 0.00 58.87 60.01 1nug n SER 208 Cb 0.36 -0.33 0.09 0.00 -1.01 0.00 0.00 64.21 63.31 1nug n SER 208 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1nug n ARG 209 N -1.33 0.49 -0.06 1.43 1.74 -0.95 -1.35 116.66 116.63 1nug n ARG 209 Ca 0.09 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.29 1nug n ARG 209 Cb 0.18 -1.09 0.21 0.00 -1.02 0.00 0.00 32.46 30.74 1nug n ARG 209 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1nug n ASN 210 N -0.59 2.85 -4.21 0.55 2.04 -1.23 -1.47 115.26 113.19 1nug n ASN 210 Ca 0.02 -1.91 -0.36 0.00 -0.44 0.00 0.00 54.58 51.89 1nug n ASN 210 Cb 0.01 -0.08 -0.13 0.00 -2.53 0.00 0.00 39.78 37.04 1nug n ASN 210 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1nug s ASP 211 N -1.82 4.88 0.58 0.53 -1.08 -0.46 -4.90 116.67 114.40 1nug s ASP 211 Ca 0.33 -1.11 0.30 0.00 -0.52 0.00 0.00 52.55 51.54 1nug s ASP 211 Cb 0.21 -1.75 1.75 0.00 -1.46 0.00 0.00 42.92 41.67 1nug s ASP 211 CO 0.31 -0.24 2.22 1.55 0.52 0.00 0.00 175.17 179.52 1nug h PRO 212 N 8.06 0.00 0.04 4.34 0.13 -1.88 0.89 132.00 143.59 1nug h PRO 212 Ca -0.25 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1nug h PRO 212 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1nug h PRO 212 CO 0.56 0.03 -0.02 0.87 -0.23 0.00 0.00 178.00 179.21 1nug h LYS 213 N 0.00 -0.05 0.56 0.86 1.57 -1.93 0.28 116.57 117.86 1nug h LYS 213 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1nug h LYS 213 Cb 0.08 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.41 1nug h LYS 213 CO 0.00 0.23 -0.27 -0.92 -0.57 0.00 0.00 179.45 177.93 1nug h TYR 214 N -0.34 -0.70 -0.54 -1.35 3.20 -1.56 -0.71 116.97 114.97 1nug h TYR 214 Ca -0.01 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1nug h TYR 214 Cb 0.31 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.74 1nug h TYR 214 CO 0.02 -0.40 0.14 0.28 -1.64 0.00 0.00 178.16 176.56 1nug h VAL 215 N -0.85 0.73 -0.30 1.81 2.07 -0.90 -0.75 116.25 118.06 1nug h VAL 215 Ca -0.08 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.38 1nug h VAL 215 Cb 0.62 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1nug h VAL 215 CO 0.13 0.05 0.09 1.23 0.02 0.00 0.00 177.57 179.09 1nug h GLY 216 N 0.29 0.36 1.15 2.17 0.00 -0.30 -1.23 103.07 105.52 1nug h GLY 216 Ca 0.27 -0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.49 1nug h GLY 216 CO -0.32 0.01 0.18 -0.09 0.00 0.00 0.00 176.54 176.31 1nug h ARG 217 N 0.21 1.05 -0.37 4.80 2.43 -0.46 -2.29 114.38 119.75 1nug h ARG 217 Ca 0.14 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1nug h ARG 217 Cb 0.12 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1nug h ARG 217 CO -0.16 0.92 0.17 0.28 -1.51 0.00 0.00 179.97 179.68 1nug h VAL 218 N 1.01 1.17 -0.57 0.20 2.07 -0.83 -2.68 116.25 116.62 1nug h VAL 218 Ca 0.21 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1nug h VAL 218 Cb 0.34 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1nug h VAL 218 CO -0.00 0.18 0.30 -0.07 0.02 0.00 0.00 177.57 178.00 1nug h LEU 219 N 0.46 0.70 -2.01 2.57 3.38 -1.00 0.16 115.31 119.57 1nug h LEU 219 Ca 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1nug h LEU 219 Cb 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1nug h LEU 219 CO -0.02 0.58 -0.06 0.77 0.09 0.00 0.00 178.44 179.81 1nug h SER 220 N 0.80 0.00 0.02 -0.43 4.64 -1.08 -1.53 113.55 115.97 1nug h SER 220 Ca 0.20 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.37 1nug h SER 220 Cb 0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1nug h SER 220 CO -0.03 0.06 -0.82 0.00 -0.87 0.00 0.00 176.83 175.17 1nug h ALA 221 N 1.94 0.15 0.00 5.18 0.00 -0.99 -3.36 119.26 122.19 1nug h ALA 221 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1nug h ALA 221 Cb 0.12 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1nug h ALA 221 CO 0.01 0.46 0.00 -1.33 0.00 0.00 0.00 179.25 178.39 1nug n MET 222 N -4.43 0.01 0.16 0.00 2.00 0.41 -2.71 117.12 112.56 1nug n MET 222 Ca -0.23 0.26 0.07 0.00 0.00 0.00 0.00 57.70 57.80 1nug n MET 222 Cb 0.64 -1.50 0.07 0.00 0.00 0.00 0.00 33.22 32.43 1nug n MET 222 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1nug h ILE 223 N 0.00 0.40 -3.00 2.02 1.08 -1.47 -1.55 117.51 115.00 1nug h ILE 223 Ca 0.00 -1.58 -0.65 0.00 -0.39 0.00 0.00 64.86 62.23 1nug h ILE 223 Cb 0.23 2.13 -0.09 0.00 -3.07 0.00 0.00 36.82 36.02 1nug h ILE 223 CO 0.00 0.23 -0.55 0.54 -0.69 0.00 0.00 178.15 177.68 1nug s ASN 224 N -6.20 5.88 0.00 1.72 2.20 -1.10 -0.17 114.94 117.28 1nug s ASN 224 Ca 0.04 0.23 0.20 0.00 -0.94 0.00 0.00 52.86 52.40 1nug s ASN 224 Cb 0.07 -1.75 1.22 0.00 -2.00 0.00 0.00 41.25 38.78 1nug s ASN 224 CO 0.72 0.30 1.69 -1.54 -2.94 0.00 0.00 177.10 175.33 1nug n SER 225 N 1.30 0.00 -4.75 3.54 3.41 0.11 -3.37 113.62 113.85 1nug n SER 225 Ca -0.14 -1.05 -0.41 0.00 -0.26 0.00 0.00 58.87 57.01 1nug n SER 225 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 1nug n SER 225 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1nug s ASN 226 N -1.79 6.92 0.00 4.04 0.01 -1.26 -3.26 114.94 119.59 1nug s ASN 226 Ca 0.31 2.49 0.00 0.00 -0.71 0.00 0.00 52.86 54.95 1nug s ASN 226 Cb 0.14 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.17 1nug s ASN 226 CO 0.24 -0.45 0.00 0.47 -1.51 0.00 0.00 177.10 175.85 1nug n ASP 227 N 1.59 0.00 -0.17 -1.22 8.00 -1.26 -4.52 116.55 118.97 1nug n ASP 227 Ca 0.02 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.53 1nug n ASP 227 Cb 0.43 -0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.52 1nug n ASP 227 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1nug n ASP 228 N 0.36 0.48 -1.02 -2.24 5.68 -1.25 -4.99 116.55 113.55 1nug n ASP 228 Ca 0.00 -1.66 -0.09 0.00 -0.50 0.00 0.00 54.79 52.54 1nug n ASP 228 Cb 0.00 -0.11 -0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1nug n ASP 228 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1nug n ASN 229 N -0.20 -3.07 -3.03 -1.12 5.03 -1.20 -4.86 115.26 106.81 1nug n ASN 229 Ca 0.02 -0.02 -0.03 0.00 0.87 0.00 0.00 54.58 55.42 1nug n ASN 229 Cb 0.55 -2.32 0.03 0.00 -1.02 0.00 0.00 39.78 37.02 1nug n ASN 229 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nug n GLY 230 N -1.01 -3.34 0.06 7.41 0.00 -1.22 -4.86 105.19 102.23 1nug n GLY 230 Ca -0.10 -1.10 -0.01 0.00 0.00 0.00 0.00 46.02 44.82 1nug n GLY 230 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nug h VAL 231 N -2.06 0.06 -2.87 1.61 2.07 -1.24 -3.37 116.25 110.45 1nug h VAL 231 Ca -0.04 -1.03 -0.66 0.00 0.82 0.00 0.00 66.70 65.79 1nug h VAL 231 Cb 0.13 0.11 -0.09 0.00 -1.52 0.00 0.00 31.29 29.91 1nug h VAL 231 CO 0.02 0.02 -0.51 -0.76 0.02 0.00 0.00 177.57 176.37 1nug s LEU 232 N -8.55 4.22 -0.30 2.57 1.43 0.77 -0.53 118.68 118.28 1nug s LEU 232 Ca -0.01 0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 53.34 1nug s LEU 232 Cb -0.00 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1nug s LEU 232 CO 0.03 0.36 0.20 0.00 0.23 0.00 0.00 176.35 177.16 1nug s ALA 233 N -0.70 3.49 0.51 4.21 0.00 -0.36 0.04 121.76 128.95 1nug s ALA 233 Ca 0.13 -1.21 -0.20 0.00 0.00 0.00 0.00 51.96 50.69 1nug s ALA 233 Cb -0.12 -2.51 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 1nug s ALA 233 CO 0.03 -0.71 1.06 0.20 0.00 0.00 0.00 175.76 176.34 1nug s GLY 234 N 1.73 2.51 -0.30 0.00 0.00 -1.26 -1.31 107.32 108.69 1nug s GLY 234 Ca 0.07 0.65 -0.04 0.00 0.00 0.00 0.00 44.72 45.40 1nug s GLY 234 CO 0.10 0.98 0.61 0.21 0.00 0.00 0.00 173.10 175.00 1nug s ASN 235 N -1.99 -1.29 -0.26 1.64 3.04 -0.94 -4.82 114.94 110.31 1nug s ASN 235 Ca 0.68 1.07 0.09 0.00 0.04 0.00 0.00 52.86 54.74 1nug s ASN 235 Cb -0.18 2.19 0.45 0.00 -1.54 0.00 0.00 41.25 42.17 1nug s ASN 235 CO 0.23 -0.25 1.23 0.79 -3.04 0.00 0.00 177.10 176.07 1nug n TRP 236 N 5.43 1.51 0.19 0.43 8.01 -1.26 -4.74 117.44 127.01 1nug n TRP 236 Ca -0.04 -1.90 0.11 0.00 -1.31 0.00 0.00 57.50 54.36 1nug n TRP 236 Cb 0.50 -0.33 -0.10 0.00 -2.01 0.00 0.00 31.31 29.37 1nug n TRP 236 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1nug n SER 237 N -0.91 0.36 0.00 -0.99 3.41 -1.26 -4.79 113.62 109.44 1nug n SER 237 Ca 0.33 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1nug n SER 237 Cb 0.85 1.40 0.00 0.00 -0.26 0.00 0.00 64.21 66.19 1nug n SER 237 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nug n GLY 238 N 1.28 0.73 2.77 5.00 0.00 -1.26 -4.99 105.19 108.72 1nug n GLY 238 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1nug n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nug s THR 239 N -2.62 0.52 -0.26 2.61 2.01 -1.26 -4.91 115.64 111.73 1nug s THR 239 Ca 0.00 -0.24 0.09 0.00 0.31 0.00 0.00 61.69 61.85 1nug s THR 239 Cb 0.00 -0.82 0.44 0.00 0.01 0.00 0.00 72.50 72.13 1nug s THR 239 CO 0.00 0.05 1.25 -1.22 -0.69 0.00 0.00 174.62 174.01 1nug n TYR 240 N 5.08 1.16 -1.86 4.92 4.01 -1.26 -5.02 117.16 124.19 1nug n TYR 240 Ca -0.08 -1.80 -0.37 0.00 -0.16 0.00 0.00 57.90 55.49 1nug n TYR 240 Cb 0.49 -0.33 0.05 0.00 -0.31 0.00 0.00 39.34 39.24 1nug n TYR 240 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1nug s THR 241 N -3.76 2.29 0.00 -0.72 -4.23 -1.26 -2.04 115.64 105.92 1nug s THR 241 Ca 0.44 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1nug s THR 241 Cb 0.39 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1nug s THR 241 CO -0.02 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1nug n GLY 242 N 0.72 0.75 0.00 3.99 0.00 -1.26 -4.94 105.19 104.44 1nug n GLY 242 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1nug n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nug n GLY 243 N -2.32 2.11 3.44 -0.02 0.00 -0.86 -4.87 105.19 102.66 1nug n GLY 243 Ca 0.00 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1nug n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nug s ARG 244 N 1.80 2.00 0.15 1.61 0.52 0.16 -4.88 118.95 120.30 1nug s ARG 244 Ca 0.00 -1.02 -0.31 0.00 -0.52 0.00 0.00 55.73 53.87 1nug s ARG 244 Cb 0.00 -2.14 -0.11 0.00 0.52 0.00 0.00 34.95 33.22 1nug s ARG 244 CO 0.00 0.53 1.75 0.34 0.02 0.00 0.00 175.30 177.94 1nug s ASP 245 N -1.46 6.44 0.41 0.23 3.68 -1.26 -2.06 116.67 122.64 1nug s ASP 245 Ca 0.14 2.76 0.20 0.00 2.13 0.00 0.00 52.55 57.78 1nug s ASP 245 Cb -0.10 -2.58 1.14 0.00 -1.45 0.00 0.00 42.92 39.93 1nug s ASP 245 CO 0.05 -0.96 1.77 -0.65 0.13 0.00 0.00 175.17 175.50 1nug h PRO 246 N 7.72 0.35 0.00 4.34 0.11 -1.92 -0.15 132.00 142.46 1nug h PRO 246 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nug h PRO 246 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nug h PRO 246 CO 0.95 0.23 0.00 0.54 -0.21 0.00 0.00 178.00 179.51 1nug n ARG 247 N -4.61 0.17 0.18 1.05 5.12 -1.26 -3.41 116.66 113.90 1nug n ARG 247 Ca 0.26 0.40 0.09 0.00 -1.93 0.00 0.00 57.85 56.66 1nug n ARG 247 Cb 0.92 -1.82 0.11 0.00 -1.16 0.00 0.00 32.46 30.51 1nug n ARG 247 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1nug h SER 248 N 0.00 0.00 -4.12 0.55 4.64 -1.35 -3.46 113.55 109.80 1nug h SER 248 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1nug h SER 248 Cb 0.35 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.57 1nug h SER 248 CO 0.00 0.17 0.46 0.26 -0.87 0.00 0.00 176.83 176.85 1nug s TRP 249 N -3.14 2.28 0.00 4.77 0.52 -1.22 -4.82 118.94 117.33 1nug s TRP 249 Ca 0.05 1.53 0.00 0.00 0.02 0.00 0.00 56.10 57.70 1nug s TRP 249 Cb 0.06 -3.50 0.00 0.00 -1.15 0.00 0.00 33.47 28.88 1nug s TRP 249 CO 0.71 -2.40 0.00 -0.25 0.02 0.00 0.00 176.95 175.03 1nug n ASP 250 N -1.91 0.01 -3.02 2.95 8.00 -1.26 -5.06 116.55 116.25 1nug n ASP 250 Ca 0.14 -0.44 -0.03 0.00 0.71 0.00 0.00 54.79 55.16 1nug n ASP 250 Cb 0.50 0.87 0.02 0.00 -0.02 0.00 0.00 41.12 42.49 1nug n ASP 250 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nug n GLY 251 N 0.87 0.72 0.10 0.44 0.00 -1.26 -0.35 105.19 105.71 1nug n GLY 251 Ca 0.00 -1.14 0.12 0.00 0.00 0.00 0.00 46.02 44.99 1nug n GLY 251 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nug h SER 252 N 1.79 0.00 0.64 1.61 0.02 -1.11 -3.40 113.55 113.08 1nug h SER 252 Ca -0.25 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 1nug h SER 252 Cb 1.09 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.64 1nug h SER 252 CO 0.34 0.05 -0.31 0.58 -1.14 0.00 0.00 176.83 176.35 1nug h VAL 253 N 0.00 0.35 -0.34 2.27 2.07 -1.76 -2.31 116.25 116.53 1nug h VAL 253 Ca 0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1nug h VAL 253 Cb 0.89 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1nug h VAL 253 CO 0.00 0.01 0.19 -0.33 0.02 0.00 0.00 177.57 177.46 1nug h GLU 254 N -0.93 0.46 0.18 1.57 4.39 -1.95 -2.15 114.58 116.15 1nug h GLU 254 Ca -0.09 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1nug h GLU 254 Cb 0.68 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1nug h GLU 254 CO 0.14 0.34 -0.09 0.82 -1.16 0.00 0.00 179.01 179.06 1nug h ILE 255 N 0.47 0.92 -0.51 3.13 2.04 -1.75 -0.88 117.51 120.93 1nug h ILE 255 Ca 0.12 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1nug h ILE 255 Cb 0.01 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1nug h ILE 255 CO -0.02 0.12 0.08 -0.07 0.00 0.00 0.00 178.15 178.26 1nug h LEU 256 N -0.50 0.76 -0.67 1.44 3.38 -1.28 -0.14 115.31 118.31 1nug h LEU 256 Ca -0.02 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 1nug h LEU 256 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1nug h LEU 256 CO 0.04 0.78 -0.61 0.11 0.09 0.00 0.00 178.44 178.85 1nug h LYS 257 N 0.77 0.20 -0.33 1.13 1.57 -1.38 -2.39 116.57 116.14 1nug h LYS 257 Ca 0.16 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 1nug h LYS 257 Cb 0.35 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1nug h LYS 257 CO 0.01 0.75 -0.49 -0.91 -0.57 0.00 0.00 179.45 178.24 1nug h ASN 258 N 0.15 0.99 0.18 0.86 4.21 -0.71 -0.93 115.58 120.32 1nug h ASN 258 Ca -0.01 -0.50 0.00 0.00 1.21 0.00 0.00 56.30 57.00 1nug h ASN 258 Cb 1.11 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 38.01 1nug h ASN 258 CO 0.09 1.30 -0.17 -0.25 -1.29 0.00 0.00 177.43 177.12 1nug h TRP 259 N 0.71 -0.44 0.16 1.19 7.01 -0.89 -1.45 115.95 122.24 1nug h TRP 259 Ca 0.03 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 1nug h TRP 259 Cb 1.09 0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.32 1nug h TRP 259 CO 0.07 -0.25 -0.08 -0.22 -2.79 0.00 0.00 178.44 175.17 1nug h LYS 260 N -0.37 -0.20 -0.03 2.65 3.64 -1.44 0.12 116.57 120.94 1nug h LYS 260 Ca -0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1nug h LYS 260 Cb 0.35 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1nug h LYS 260 CO -0.03 -0.06 0.10 -0.22 -2.27 0.00 0.00 179.45 176.97 1nug h LYS 261 N -0.30 0.00 -0.56 1.90 3.64 -1.06 -1.67 116.57 118.53 1nug h LYS 261 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1nug h LYS 261 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1nug h LYS 261 CO 0.04 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 176.09 1nug n SER 262 N -3.27 5.52 -2.09 4.20 3.41 -0.55 -4.90 113.62 115.94 1nug n SER 262 Ca -0.02 -2.89 -0.13 0.00 -0.26 0.00 0.00 58.87 55.56 1nug n SER 262 Cb 0.18 -0.67 0.04 0.00 -0.26 0.00 0.00 64.21 63.50 1nug n SER 262 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nug n GLY 263 N 0.59 0.06 3.49 5.00 0.00 -0.63 -3.06 105.19 110.65 1nug n GLY 263 Ca 0.27 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1nug n GLY 263 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nug n LEU 264 N -2.81 -3.34 -4.84 0.99 4.77 0.41 -4.99 117.00 107.19 1nug n LEU 264 Ca -0.02 -0.51 -0.37 0.00 -0.03 0.00 0.00 56.01 55.08 1nug n LEU 264 Cb 0.55 -2.92 -0.06 0.00 -2.33 0.00 0.00 43.42 38.66 1nug n LEU 264 CO 0.33 0.62 0.13 -0.44 -1.33 0.00 0.00 177.39 176.71 1nug s SER 265 N -3.30 6.79 0.23 -1.43 0.01 -1.17 -4.87 113.70 109.97 1nug s SER 265 Ca 0.56 0.96 -0.28 0.00 1.31 0.00 0.00 55.95 58.50 1nug s SER 265 Cb -0.25 -2.25 -0.16 0.00 0.21 0.00 0.00 66.02 63.58 1nug s SER 265 CO 0.69 0.25 0.76 -2.65 0.41 0.00 0.00 173.24 172.71 1nug n PRO 266 N 1.44 0.61 -3.22 12.44 -0.02 -1.26 -4.67 135.00 140.33 1nug n PRO 266 Ca -0.11 0.22 -0.39 0.00 -2.02 0.00 0.00 63.50 61.19 1nug n PRO 266 Cb 0.52 -1.40 -0.06 0.00 -0.02 0.00 0.00 33.50 32.54 1nug n PRO 266 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nug s VAL 267 N -0.97 5.09 -0.20 -1.45 1.01 0.31 -4.88 120.40 119.31 1nug s VAL 267 Ca 0.63 1.02 -0.04 0.00 0.00 0.00 0.00 61.98 63.58 1nug s VAL 267 Cb -0.84 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 31.66 1nug s VAL 267 CO 0.58 0.18 -0.02 -0.13 0.00 0.00 0.00 175.10 175.70 1nug s ARG 268 N 1.58 3.54 0.31 2.72 0.52 -1.26 -1.22 118.95 125.13 1nug s ARG 268 Ca 0.26 -0.56 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 1nug s ARG 268 Cb -0.16 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1nug s ARG 268 CO 0.10 -0.02 0.16 0.71 0.02 0.00 0.00 175.30 176.26 1nug s TYR 269 N 1.06 1.62 0.23 -0.53 2.02 -0.88 0.36 117.35 121.24 1nug s TYR 269 Ca 0.01 -1.36 0.01 0.00 -0.37 0.00 0.00 57.07 55.37 1nug s TYR 269 Cb -0.14 -0.89 -0.05 0.00 -0.40 0.00 0.00 41.96 40.48 1nug s TYR 269 CO 0.01 -0.50 0.09 0.20 -1.57 0.00 0.00 175.55 173.78 1nug s GLY 270 N -3.39 1.60 0.26 0.71 0.00 -0.42 -4.14 107.32 101.93 1nug s GLY 270 Ca 0.35 -1.79 0.02 0.00 0.00 0.00 0.00 44.72 43.29 1nug s GLY 270 CO 0.17 -1.54 0.14 1.20 0.00 0.00 0.00 173.10 173.08 1nug s GLN 271 N -4.05 1.42 0.29 2.90 -0.21 -1.26 -2.21 119.66 116.54 1nug s GLN 271 Ca 0.36 -1.78 -0.02 0.00 0.02 0.00 0.00 55.36 53.94 1nug s GLN 271 Cb 0.07 0.03 0.63 0.00 1.00 0.00 0.00 33.01 34.74 1nug s GLN 271 CO 0.12 -0.41 1.57 0.00 -2.12 0.00 0.00 175.29 174.45 1nug h TRP 273 N 0.01 0.00 -0.38 0.00 0.09 -1.98 -1.19 115.95 112.50 1nug h TRP 273 Ca 0.54 0.00 -0.16 0.00 0.09 0.00 0.00 58.89 59.37 1nug h TRP 273 Cb 1.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.25 1nug h TRP 273 CO -0.58 0.28 -0.37 0.28 0.09 0.00 0.00 178.44 178.15 1nug h VAL 274 N 0.00 1.27 -0.45 0.12 2.07 -0.93 -0.18 116.25 118.15 1nug h VAL 274 Ca -0.00 -1.54 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 1nug h VAL 274 Cb 0.54 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1nug h VAL 274 CO 0.04 0.52 -0.07 -0.26 0.02 0.00 0.00 177.57 177.82 1nug h PHE 275 N 0.75 0.93 -0.41 1.57 0.04 -1.08 -2.35 116.94 116.39 1nug h PHE 275 Ca 0.06 -0.19 -0.12 0.00 2.80 0.00 0.00 57.97 60.53 1nug h PHE 275 Cb 0.96 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1nug h PHE 275 CO 0.06 0.92 -0.22 0.00 -0.60 0.00 0.00 178.31 178.48 1nug h ALA 276 N 0.88 0.85 -0.37 2.45 0.00 -1.13 0.01 119.26 121.95 1nug h ALA 276 Ca 0.12 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1nug h ALA 276 Cb 0.59 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1nug h ALA 276 CO 0.04 0.64 0.02 0.78 0.00 0.00 0.00 179.25 180.73 1nug h GLY 277 N 0.95 0.69 1.46 0.00 0.00 -0.97 0.13 103.07 105.33 1nug h GLY 277 Ca 0.10 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 1nug h GLY 277 CO 0.06 0.45 -0.19 -0.84 0.00 0.00 0.00 176.54 176.02 1nug h THR 278 N 0.46 1.26 -0.29 4.70 2.02 -1.33 -1.98 112.91 117.76 1nug h THR 278 Ca 0.11 -1.22 -0.12 0.00 0.77 0.00 0.00 66.41 65.94 1nug h THR 278 Cb 0.42 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1nug h THR 278 CO 0.01 0.40 -0.30 0.25 0.37 0.00 0.00 175.52 176.26 1nug h LEU 279 N 0.57 0.77 -1.62 2.58 5.85 -0.78 -2.67 115.31 120.01 1nug h LEU 279 Ca 0.09 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 58.37 1nug h LEU 279 Cb 0.64 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1nug h LEU 279 CO 0.05 1.08 0.31 -1.13 -0.34 0.00 0.00 178.44 178.41 1nug h ASN 280 N 0.46 0.42 -0.19 1.25 -0.00 -0.45 0.25 115.58 117.33 1nug h ASN 280 Ca 0.05 -0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.28 1nug h ASN 280 Cb 0.87 -0.10 -0.00 0.00 -0.00 0.00 0.00 38.32 39.09 1nug h ASN 280 CO 0.07 0.29 -0.12 0.74 -0.00 0.00 0.00 177.43 178.41 1nug h THR 281 N 0.49 1.32 -0.16 -3.57 2.02 -1.17 -1.02 112.91 110.82 1nug h THR 281 Ca 0.20 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1nug h THR 281 Cb 0.17 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1nug h THR 281 CO -0.05 0.36 0.06 0.00 0.37 0.00 0.00 175.52 176.27 1nug h ALA 282 N 0.67 0.20 -0.21 6.16 0.00 -1.01 -1.29 119.26 123.79 1nug h ALA 282 Ca 0.04 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1nug h ALA 282 Cb 0.62 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1nug h ALA 282 CO 0.03 -0.20 0.02 -0.07 0.00 0.00 0.00 179.25 179.03 1nug h LEU 283 N 0.10 -0.04 -0.78 0.00 3.38 -0.95 -1.46 115.31 115.56 1nug h LEU 283 Ca 0.05 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1nug h LEU 283 Cb 0.17 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1nug h LEU 283 CO -0.00 0.01 0.16 0.03 0.09 0.00 0.00 178.44 178.73 1nug h ARG 284 N 0.09 1.08 -0.77 1.13 3.08 -1.11 -0.47 114.38 117.40 1nug h ARG 284 Ca 0.10 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1nug h ARG 284 Cb 0.11 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1nug h ARG 284 CO -0.15 0.95 0.39 0.66 -1.07 0.00 0.00 179.97 180.76 1nug h SER 285 N 1.02 0.98 1.34 7.04 4.64 -0.81 -1.92 113.55 125.84 1nug h SER 285 Ca 0.21 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1nug h SER 285 Cb 0.37 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1nug h SER 285 CO 0.00 0.82 0.00 -0.07 -0.87 0.00 0.00 176.83 176.71 1nug h LEU 286 N 1.09 0.00 0.00 5.97 4.07 -1.04 -3.47 115.31 121.92 1nug h LEU 286 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1nug h LEU 286 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1nug h LEU 286 CO -0.04 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.93 1nug n GLY 287 N 1.01 1.17 3.52 0.83 0.00 -0.72 -2.22 105.19 108.78 1nug n GLY 287 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1nug n GLY 287 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nug s ILE 288 N -2.00 5.14 -0.03 -0.61 1.01 -0.23 -4.32 121.20 120.17 1nug s ILE 288 Ca 0.00 -0.15 -0.37 0.00 0.00 0.00 0.00 60.65 60.13 1nug s ILE 288 Cb 0.00 -3.91 -0.16 0.00 0.01 0.00 0.00 42.46 38.40 1nug s ILE 288 CO 0.00 -0.23 1.51 -2.65 0.00 0.00 0.00 174.94 173.57 1nug n PRO 289 N 5.45 1.28 -3.85 2.79 -0.02 -1.26 -3.82 135.00 135.56 1nug n PRO 289 Ca -0.09 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 61.75 1nug n PRO 289 Cb 0.48 -2.14 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 1nug n PRO 289 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nug s SER 290 N 1.61 0.02 0.14 2.55 0.15 -0.12 -1.11 113.70 116.94 1nug s SER 290 Ca 0.89 -0.29 -0.10 0.00 0.70 0.00 0.00 55.95 57.14 1nug s SER 290 Cb -0.96 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 1nug s SER 290 CO 0.52 -0.49 0.30 0.00 1.20 0.00 0.00 173.24 174.76 1nug s ARG 291 N -2.13 1.08 -0.17 5.44 1.70 -1.00 -4.57 118.95 119.30 1nug s ARG 291 Ca -0.08 -1.03 -0.08 0.00 -0.47 0.00 0.00 55.73 54.06 1nug s ARG 291 Cb -0.03 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 1nug s ARG 291 CO -0.02 -0.40 0.10 0.08 -1.08 0.00 0.00 175.30 173.99 1nug s VAL 292 N -3.91 5.16 -0.05 4.99 1.01 -1.26 -1.58 120.40 124.76 1nug s VAL 292 Ca 0.11 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1nug s VAL 292 Cb 0.03 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1nug s VAL 292 CO -0.05 0.49 -0.16 -0.63 0.00 0.00 0.00 175.10 174.75 1nug s ILE 293 N 0.06 2.89 -0.14 2.22 -1.09 -0.10 -4.36 121.20 120.68 1nug s ILE 293 Ca 0.08 -0.78 0.01 0.00 -2.23 0.00 0.00 60.65 57.73 1nug s ILE 293 Cb -0.12 -2.12 0.02 0.00 -1.58 0.00 0.00 42.46 38.66 1nug s ILE 293 CO -0.00 0.58 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.24 1nug s THR 294 N -0.59 1.72 -0.29 2.92 2.01 0.45 -1.10 115.64 120.76 1nug s THR 294 Ca 0.09 -0.75 -0.06 0.00 0.31 0.00 0.00 61.69 61.28 1nug s THR 294 Cb -0.11 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.83 1nug s THR 294 CO 0.01 0.48 0.06 0.21 -0.69 0.00 0.00 174.62 174.70 1nug s ASN 295 N 1.23 5.04 0.14 3.53 2.47 -0.18 -0.84 114.94 126.33 1nug s ASN 295 Ca 0.00 -0.73 -0.25 0.00 0.42 0.00 0.00 52.86 52.30 1nug s ASN 295 Cb -0.14 -1.86 -0.08 0.00 -1.45 0.00 0.00 41.25 37.73 1nug s ASN 295 CO -0.08 -0.19 0.77 -0.36 -3.72 0.00 0.00 177.10 173.53 1nug s PHE 296 N 1.48 3.88 -0.71 0.43 0.40 -1.01 -0.62 117.98 121.83 1nug s PHE 296 Ca 0.02 1.60 -0.00 0.00 -0.60 0.00 0.00 56.93 57.95 1nug s PHE 296 Cb -0.17 -2.77 -0.00 0.00 0.51 0.00 0.00 43.02 40.59 1nug s PHE 296 CO 0.02 0.48 0.59 0.09 0.70 0.00 0.00 175.22 177.10 1nug n ASN 297 N 1.80 -2.22 -4.65 1.36 4.13 0.03 -1.73 115.26 113.98 1nug n ASN 297 Ca -0.05 -0.37 -0.42 0.00 1.68 0.00 0.00 54.58 55.41 1nug n ASN 297 Cb 0.49 -3.26 -0.03 0.00 -1.54 0.00 0.00 39.78 35.44 1nug n ASN 297 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1nug s SER 298 N -3.77 6.96 0.34 6.41 0.15 -0.65 -2.17 113.70 120.97 1nug s SER 298 Ca 0.02 1.18 -0.17 0.00 0.70 0.00 0.00 55.95 57.68 1nug s SER 298 Cb -0.00 -2.50 -0.09 0.00 -1.71 0.00 0.00 66.02 61.72 1nug s SER 298 CO 0.44 -0.64 0.79 0.00 1.20 0.00 0.00 173.24 175.02 1nug s ALA 299 N 3.11 3.27 -0.59 5.45 0.00 -0.96 -0.82 121.76 131.21 1nug s ALA 299 Ca 0.40 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.54 1nug s ALA 299 Cb -0.15 -2.86 0.16 0.00 0.00 0.00 0.00 23.12 20.27 1nug s ALA 299 CO 0.08 0.29 0.40 -1.58 0.00 0.00 0.00 175.76 174.94 1nug s HIS 300 N -1.98 2.87 -0.07 0.00 5.04 0.10 -3.89 115.29 117.36 1nug s HIS 300 Ca 0.55 -3.02 -0.30 0.00 -1.54 0.00 0.00 55.06 50.75 1nug s HIS 300 Cb -0.11 -2.30 -0.04 0.00 0.04 0.00 0.00 32.58 30.17 1nug s HIS 300 CO 0.17 -0.65 1.47 0.34 -2.34 0.00 0.00 174.74 173.73 1nug s ASP 301 N -0.78 6.80 -0.07 9.88 3.68 -1.26 -4.87 116.67 130.04 1nug s ASP 301 Ca 0.24 2.05 0.18 0.00 2.13 0.00 0.00 52.55 57.16 1nug s ASP 301 Cb -0.09 -2.54 0.63 0.00 -1.45 0.00 0.00 42.92 39.47 1nug s ASP 301 CO -0.12 -0.82 1.54 0.35 0.13 0.00 0.00 175.17 176.25 1nug n THR 302 N 5.21 1.54 -2.58 1.71 -2.24 -1.26 -4.55 114.28 112.11 1nug n THR 302 Ca 0.15 -1.17 -0.03 0.00 -2.27 0.00 0.00 64.05 60.74 1nug n THR 302 Cb 0.44 0.25 0.10 0.00 -2.10 0.00 0.00 70.33 69.01 1nug n THR 302 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nug n ASP 303 N 1.07 -1.31 -3.04 3.42 3.85 -1.26 -5.08 116.55 114.20 1nug n ASP 303 Ca 0.23 -2.18 -0.10 0.00 -0.71 0.00 0.00 54.79 52.03 1nug n ASP 303 Cb 0.76 0.60 0.00 0.00 -1.35 0.00 0.00 41.12 41.13 1nug n ASP 303 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1nug n ARG 304 N -1.30 -0.63 -0.27 0.11 1.74 -1.26 -4.84 116.66 110.21 1nug n ARG 304 Ca -0.19 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1nug n ARG 304 Cb 0.85 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 31.41 1nug n ARG 304 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1nug n ASN 305 N -0.76 0.12 -2.28 0.55 6.94 -1.26 -4.87 115.26 113.70 1nug n ASN 305 Ca -0.13 -1.62 -0.13 0.00 -0.02 0.00 0.00 54.58 52.68 1nug n ASN 305 Cb 0.28 -0.12 -0.01 0.00 -2.36 0.00 0.00 39.78 37.57 1nug n ASN 305 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1nug n LEU 306 N -0.06 -1.17 -3.91 -4.53 4.77 -1.26 -4.95 117.00 105.89 1nug n LEU 306 Ca 0.00 0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1nug n LEU 306 Cb 0.60 -2.18 -0.13 0.00 -2.33 0.00 0.00 43.42 39.39 1nug n LEU 306 CO 0.00 -0.22 -0.36 -0.55 -1.33 0.00 0.00 177.39 174.93 1nug s SER 307 N -2.04 0.14 0.02 -1.43 0.15 -1.26 -1.43 113.70 107.84 1nug s SER 307 Ca 0.00 -0.16 0.06 0.00 0.70 0.00 0.00 55.95 56.55 1nug s SER 307 Cb 0.00 0.02 -0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1nug s SER 307 CO 0.00 -0.08 -0.18 -0.69 1.20 0.00 0.00 173.24 173.49 1nug s VAL 308 N -0.44 1.40 -0.09 4.45 1.01 -0.49 -4.77 120.40 121.48 1nug s VAL 308 Ca -0.04 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1nug s VAL 308 Cb -0.03 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 1nug s VAL 308 CO -0.00 0.24 -0.10 -1.81 0.00 0.00 0.00 175.10 173.42 1nug s ASP 309 N -0.83 4.32 -0.04 3.32 1.01 -1.26 -1.29 116.67 121.89 1nug s ASP 309 Ca 0.06 -0.16 0.04 0.00 0.71 0.00 0.00 52.55 53.19 1nug s ASP 309 Cb -0.08 -1.24 0.00 0.00 1.01 0.00 0.00 42.92 42.62 1nug s ASP 309 CO 0.01 0.29 -0.15 0.68 0.21 0.00 0.00 175.17 176.21 1nug s VAL 310 N -0.38 1.25 0.21 -1.27 -7.23 -0.65 -4.48 120.40 107.85 1nug s VAL 310 Ca 0.05 -0.60 0.11 0.00 -1.81 0.00 0.00 61.98 59.73 1nug s VAL 310 Cb -0.12 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 1nug s VAL 310 CO 0.02 0.37 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.64 1nug s TYR 311 N 0.19 2.29 0.05 2.82 1.51 -1.21 -0.60 117.35 122.40 1nug s TYR 311 Ca -0.06 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 55.60 1nug s TYR 311 Cb -0.12 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.60 1nug s TYR 311 CO 0.02 0.53 0.07 0.71 -1.11 0.00 0.00 175.55 175.78 1nug s TYR 312 N -1.81 0.27 0.36 2.71 1.51 -0.76 -1.64 117.35 117.99 1nug s TYR 312 Ca 0.22 -0.65 0.07 0.00 -1.01 0.00 0.00 57.07 55.70 1nug s TYR 312 Cb -0.07 -0.19 -0.00 0.00 -0.11 0.00 0.00 41.96 41.58 1nug s TYR 312 CO 0.11 -0.38 0.49 0.16 -1.11 0.00 0.00 175.55 174.81 1nug s ASP 313 N -2.37 5.81 0.64 2.29 1.47 -0.52 -1.12 116.67 122.87 1nug s ASP 313 Ca -0.01 -0.29 0.34 0.00 1.18 0.00 0.00 52.55 53.77 1nug s ASP 313 Cb 0.01 -1.02 1.86 0.00 -0.34 0.00 0.00 42.92 43.43 1nug s ASP 313 CO -0.07 -0.53 2.04 -0.65 0.68 0.00 0.00 175.17 176.64 1nug h PRO 314 N 0.84 0.00 -0.25 2.11 0.11 -1.92 0.34 132.00 133.24 1nug h PRO 314 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1nug h PRO 314 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1nug h PRO 314 CO 0.51 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.97 1nug n MET 315 N -2.89 1.70 -1.00 1.05 2.81 -1.26 -4.75 117.12 112.78 1nug n MET 315 Ca -0.02 -1.08 -0.00 0.00 -1.81 0.00 0.00 57.70 54.78 1nug n MET 315 Cb 0.25 -1.30 -0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1nug n MET 315 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nug n GLY 316 N 1.04 0.42 3.73 3.03 0.00 0.11 -4.01 105.19 109.52 1nug n GLY 316 Ca 0.13 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 1nug n GLY 316 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nug s ASN 317 N -2.75 6.77 0.19 1.61 0.01 -1.25 -4.12 114.94 115.40 1nug s ASN 317 Ca 0.00 0.92 -0.30 0.00 -0.71 0.00 0.00 52.86 52.77 1nug s ASN 317 Cb 0.00 -2.31 -0.08 0.00 0.41 0.00 0.00 41.25 39.27 1nug s ASN 317 CO 0.00 0.01 1.14 -2.84 -1.51 0.00 0.00 177.10 173.90 1nug s PRO 318 N 0.48 4.56 0.19 -0.60 0.02 -1.26 -1.44 135.00 136.94 1nug s PRO 318 Ca 0.28 1.79 -0.09 0.00 0.02 0.00 0.00 61.00 63.01 1nug s PRO 318 Cb -0.16 -3.25 -0.07 0.00 0.02 0.00 0.00 34.50 31.04 1nug s PRO 318 CO 0.12 0.02 0.50 -0.51 -0.33 0.00 0.00 177.00 176.80 1nug s LEU 319 N -0.44 4.21 0.51 -5.54 1.02 -0.65 -4.93 118.68 112.86 1nug s LEU 319 Ca 0.50 0.84 0.16 0.00 0.02 0.00 0.00 54.13 55.65 1nug s LEU 319 Cb -0.31 -3.52 1.25 0.00 0.02 0.00 0.00 46.19 43.64 1nug s LEU 319 CO 0.36 -0.01 2.13 0.44 0.02 0.00 0.00 176.35 179.29 1nug h ASP 320 N 2.75 0.03 -0.14 2.29 5.19 -1.95 -3.15 116.42 121.44 1nug h ASP 320 Ca -0.47 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.92 1nug h ASP 320 Cb 1.17 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 1nug h ASP 320 CO 0.70 0.02 0.25 1.17 -3.12 0.00 0.00 179.24 178.26 1nug n LYS 321 N -4.52 0.21 -0.26 3.56 4.81 -1.26 -1.86 118.16 118.83 1nug n LYS 321 Ca -0.01 -1.15 0.00 0.00 -0.87 0.00 0.00 58.31 56.28 1nug n LYS 321 Cb 0.14 -3.34 0.00 0.00 0.02 0.00 0.00 35.03 31.84 1nug n LYS 321 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nug n GLY 322 N 6.10 0.80 0.29 3.14 0.00 -1.26 -3.31 105.19 110.95 1nug n GLY 322 Ca 0.40 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.61 1nug n GLY 322 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nug h SER 323 N 0.00 0.00 -0.05 1.61 4.64 -1.32 -2.52 113.55 115.91 1nug h SER 323 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nug h SER 323 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1nug h SER 323 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 1nug n ASP 324 N -2.97 2.53 0.17 4.97 3.85 -1.26 -4.11 116.55 119.74 1nug n ASP 324 Ca -0.01 -2.88 0.13 0.00 -0.71 0.00 0.00 54.79 51.32 1nug n ASP 324 Cb 0.16 -0.37 0.30 0.00 -1.35 0.00 0.00 41.12 39.86 1nug n ASP 324 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1nug h SER 325 N 0.32 0.00 -3.06 -1.12 0.02 -1.68 -3.39 113.55 104.64 1nug h SER 325 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 1nug h SER 325 Cb 0.98 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.12 1nug h SER 325 CO 0.03 0.00 -0.78 -0.69 -1.14 0.00 0.00 176.83 174.25 1nug s VAL 326 N -3.19 0.75 0.61 2.27 1.01 -1.26 0.00 120.40 120.58 1nug s VAL 326 Ca 0.08 -1.93 -0.19 0.00 0.00 0.00 0.00 61.98 59.94 1nug s VAL 326 Cb 0.08 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1nug s VAL 326 CO 0.62 -0.88 1.24 0.26 0.00 0.00 0.00 175.10 176.34 1nug s TRP 327 N 0.94 2.30 0.46 5.22 0.52 -0.00 -4.78 118.94 123.60 1nug s TRP 327 Ca 0.16 1.50 0.12 0.00 0.02 0.00 0.00 56.10 57.90 1nug s TRP 327 Cb -0.22 -3.56 1.05 0.00 -1.15 0.00 0.00 33.47 29.60 1nug s TRP 327 CO -0.06 -2.44 2.08 -0.91 0.02 0.00 0.00 176.95 175.64 1nug h ASN 328 N 0.82 0.27 -4.50 2.95 2.35 -1.48 -1.68 115.58 114.29 1nug h ASN 328 Ca -0.51 -0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.31 1nug h ASN 328 Cb 1.31 -0.06 -0.19 0.00 0.05 0.00 0.00 38.32 39.43 1nug h ASN 328 CO 0.55 0.19 0.46 0.72 -1.65 0.00 0.00 177.43 177.70 1nug s PHE 329 N -5.31 -0.40 -0.01 1.19 -0.12 -1.26 -0.79 117.98 111.28 1nug s PHE 329 Ca -0.07 0.50 0.00 0.00 -0.05 0.00 0.00 56.93 57.31 1nug s PHE 329 Cb 0.18 0.49 0.01 0.00 -0.63 0.00 0.00 43.02 43.07 1nug s PHE 329 CO 0.71 -0.49 0.00 -1.58 -0.05 0.00 0.00 175.22 173.81 1nug s HIS 330 N -2.13 0.10 -0.13 3.49 2.46 0.21 -4.81 115.29 114.48 1nug s HIS 330 Ca 0.00 0.02 -0.02 0.00 0.47 0.00 0.00 55.06 55.54 1nug s HIS 330 Cb -0.01 -0.15 -0.02 0.00 -0.13 0.00 0.00 32.58 32.27 1nug s HIS 330 CO -0.03 -0.04 -0.07 0.08 -2.47 0.00 0.00 174.74 172.22 1nug s VAL 331 N 0.39 3.65 0.00 0.89 1.01 -1.26 -1.00 120.40 124.08 1nug s VAL 331 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1nug s VAL 331 Cb -0.05 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1nug s VAL 331 CO -0.01 0.52 0.00 -2.67 0.00 0.00 0.00 175.10 172.94 1nug n TRP 332 N 3.30 0.00 -4.35 5.22 2.14 -0.26 -4.53 117.44 118.96 1nug n TRP 332 Ca -0.18 0.00 -0.18 0.00 2.07 0.00 0.00 57.50 59.21 1nug n TRP 332 Cb 0.53 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.92 1nug n TRP 332 CO 0.00 0.00 0.00 -0.80 2.07 0.00 0.00 177.69 178.96 1nug s ASN 333 N -0.49 2.37 -0.07 -0.67 -0.87 0.09 -0.93 114.94 114.38 1nug s ASN 333 Ca 0.00 -1.11 0.03 0.00 -1.57 0.00 0.00 52.86 50.21 1nug s ASN 333 Cb 0.00 -0.10 0.01 0.00 -0.02 0.00 0.00 41.25 41.14 1nug s ASN 333 CO 0.00 -0.31 -0.14 -1.61 -2.57 0.00 0.00 177.10 172.47 1nug s GLU 334 N -3.73 1.83 -0.03 -0.60 2.02 -0.61 -0.24 118.70 117.34 1nug s GLU 334 Ca 0.25 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.78 1nug s GLU 334 Cb 0.02 -1.50 -0.03 0.00 0.10 0.00 0.00 34.13 32.73 1nug s GLU 334 CO 0.08 0.07 -0.06 0.20 0.02 0.00 0.00 175.26 175.56 1nug s GLY 335 N 0.55 1.73 -0.36 -1.39 0.00 0.12 -2.37 107.32 105.60 1nug s GLY 335 Ca -0.14 -0.96 -0.10 0.00 0.00 0.00 0.00 44.72 43.53 1nug s GLY 335 CO 0.04 -0.79 0.18 0.86 0.00 0.00 0.00 173.10 173.39 1nug s TRP 336 N -0.92 3.24 0.04 1.90 -0.11 -0.27 0.11 118.94 122.93 1nug s TRP 336 Ca 0.15 -1.06 -0.27 0.00 1.22 0.00 0.00 56.10 56.13 1nug s TRP 336 Cb -0.11 -2.39 0.09 0.00 -1.50 0.00 0.00 33.47 29.56 1nug s TRP 336 CO 0.05 -0.66 0.88 -0.59 -4.62 0.00 0.00 176.95 172.01 1nug s PHE 337 N 1.52 -0.31 0.53 5.86 -0.12 -0.87 -4.44 117.98 120.15 1nug s PHE 337 Ca 0.01 0.13 -0.18 0.00 -0.05 0.00 0.00 56.93 56.85 1nug s PHE 337 Cb -0.19 0.56 -0.07 0.00 -0.63 0.00 0.00 43.02 42.69 1nug s PHE 337 CO 0.06 -0.63 1.02 0.14 -0.05 0.00 0.00 175.22 175.76 1nug s VAL 338 N -3.20 4.06 -0.84 -2.49 -7.23 -0.14 -2.29 120.40 108.27 1nug s VAL 338 Ca 0.06 1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 61.30 1nug s VAL 338 Cb -0.01 -3.51 0.21 0.00 0.56 0.00 0.00 36.38 33.62 1nug s VAL 338 CO -0.07 -0.47 0.71 -0.13 -0.31 0.00 0.00 175.10 174.83 1nug s ARG 339 N -3.76 3.13 0.64 4.82 1.81 -1.26 -4.89 118.95 119.44 1nug s ARG 339 Ca 0.63 -3.13 0.41 0.00 -1.72 0.00 0.00 55.73 51.93 1nug s ARG 339 Cb -0.14 -3.91 2.20 0.00 -0.45 0.00 0.00 34.95 32.65 1nug s ARG 339 CO 0.28 -1.25 2.30 0.66 -0.68 0.00 0.00 175.30 176.62 1nug h SER 340 N 6.22 0.00 0.44 0.23 4.64 -1.95 -0.31 113.55 122.81 1nug h SER 340 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1nug h SER 340 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1nug h SER 340 CO 0.82 0.01 -0.31 -0.90 -0.87 0.00 0.00 176.83 175.57 1nug n ASP 341 N -3.19 0.62 0.00 4.97 5.75 -1.26 -4.31 116.55 119.13 1nug n ASP 341 Ca -0.02 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 1nug n ASP 341 Cb 0.11 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1nug n ASP 341 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nug n LEU 342 N -1.14 0.00 0.00 -2.12 4.77 -0.43 -5.02 117.00 113.06 1nug n LEU 342 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1nug n LEU 342 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1nug n LEU 342 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1nug n GLY 343 N 2.90 3.09 0.34 -0.72 0.00 -0.26 -4.84 105.19 105.70 1nug n GLY 343 Ca 0.00 -1.95 0.13 0.00 0.00 0.00 0.00 46.02 44.20 1nug n GLY 343 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nug h PRO 344 N 0.00 0.24 0.00 1.61 0.11 -1.95 -2.59 132.00 129.42 1nug h PRO 344 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1nug h PRO 344 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1nug h PRO 344 CO 0.00 0.16 0.00 0.66 -0.21 0.00 0.00 178.00 178.61 1nug h SER 345 N 0.25 0.00 -0.24 -2.05 4.64 -1.94 -3.28 113.55 110.93 1nug h SER 345 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1nug h SER 345 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1nug h SER 345 CO -0.04 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.70 1nug n TYR 346 N -2.33 0.29 -0.79 4.77 4.02 -0.98 -4.88 117.16 117.27 1nug n TYR 346 Ca 0.05 -0.14 -0.30 0.00 -0.01 0.00 0.00 57.90 57.50 1nug n TYR 346 Cb 0.40 0.00 0.25 0.00 -0.02 0.00 0.00 39.34 39.97 1nug n TYR 346 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1nug s GLY 347 N -1.71 1.52 0.00 2.72 0.00 -1.24 -4.58 107.32 104.03 1nug s GLY 347 Ca 0.34 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.40 1nug s GLY 347 CO 0.31 0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.20 1nug n GLY 348 N 0.03 0.42 3.73 0.20 0.00 -0.97 -4.87 105.19 103.74 1nug n GLY 348 Ca 0.10 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1nug n GLY 348 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nug s TRP 349 N 0.00 3.28 -0.13 1.61 0.23 -1.26 -2.05 118.94 120.62 1nug s TRP 349 Ca 0.00 1.22 -0.00 0.00 -2.03 0.00 0.00 56.10 55.28 1nug s TRP 349 Cb 0.00 -3.59 0.02 0.00 0.03 0.00 0.00 33.47 29.94 1nug s TRP 349 CO 0.00 -1.85 -0.10 -0.65 0.96 0.00 0.00 176.95 175.31 1nug s GLN 350 N 0.03 1.85 0.19 4.98 -1.52 0.29 -1.99 119.66 123.49 1nug s GLN 350 Ca 0.57 -0.39 -0.32 0.00 -1.95 0.00 0.00 55.36 53.28 1nug s GLN 350 Cb -0.36 -1.81 -0.11 0.00 -0.22 0.00 0.00 33.01 30.51 1nug s GLN 350 CO 0.37 -0.26 1.62 0.08 -0.25 0.00 0.00 175.29 176.85 1nug s VAL 351 N 1.61 2.38 -0.04 1.09 1.01 0.74 0.12 120.40 127.32 1nug s VAL 351 Ca 0.05 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.32 1nug s VAL 351 Cb -0.13 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1nug s VAL 351 CO -0.09 0.02 -0.04 -0.76 0.00 0.00 0.00 175.10 174.23 1nug s LEU 352 N 1.05 1.34 -0.13 3.92 1.43 0.67 -1.91 118.68 125.04 1nug s LEU 352 Ca 0.71 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1nug s LEU 352 Cb -0.46 -0.43 0.04 0.00 0.03 0.00 0.00 46.19 45.37 1nug s LEU 352 CO 0.32 -0.05 0.00 -0.62 0.23 0.00 0.00 176.35 176.24 1nug s ASP 353 N 0.89 2.24 0.03 2.29 -1.08 -0.96 -0.73 116.67 119.35 1nug s ASP 353 Ca -0.12 -0.43 0.25 0.00 -0.52 0.00 0.00 52.55 51.74 1nug s ASP 353 Cb -0.14 -0.57 0.59 0.00 -1.46 0.00 0.00 42.92 41.34 1nug s ASP 353 CO 0.00 -0.23 1.48 0.00 0.52 0.00 0.00 175.17 176.94 1nug n ALA 354 N 5.07 3.21 -2.07 3.66 0.00 -1.26 -3.54 120.51 125.58 1nug n ALA 354 Ca -0.09 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.65 1nug n ALA 354 Cb 0.49 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1nug n ALA 354 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nug s THR 355 N -3.04 3.26 -1.07 0.00 2.01 -1.26 -4.28 115.64 111.26 1nug s THR 355 Ca 0.10 0.77 -0.22 0.00 0.31 0.00 0.00 61.69 62.65 1nug s THR 355 Cb 0.17 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1nug s THR 355 CO 0.68 0.02 1.73 -2.16 -0.69 0.00 0.00 174.62 174.20 1nug s PRO 356 N 2.05 3.19 -0.06 4.92 0.04 -1.26 -4.67 135.00 139.20 1nug s PRO 356 Ca 0.68 -1.08 -0.08 0.00 0.04 0.00 0.00 61.00 60.56 1nug s PRO 356 Cb -0.37 -5.29 -0.03 0.00 0.04 0.00 0.00 34.50 28.85 1nug s PRO 356 CO 0.30 -2.85 -0.16 1.04 0.04 0.00 0.00 177.00 175.37 1nug n GLN 357 N 8.67 0.24 -4.93 4.56 6.02 -1.26 -5.03 117.38 125.65 1nug n GLN 357 Ca 0.40 0.09 -0.33 0.00 -0.01 0.00 0.00 57.00 57.16 1nug n GLN 357 Cb 0.48 -0.86 -0.13 0.00 1.02 0.00 0.00 30.24 30.74 1nug n GLN 357 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1nug s GLU 358 N -2.03 2.48 0.38 -1.09 2.56 -1.26 -5.11 118.70 114.63 1nug s GLU 358 Ca -0.13 -0.72 -0.24 0.00 0.00 0.00 0.00 54.97 53.89 1nug s GLU 358 Cb 0.02 -2.35 -0.10 0.00 2.00 0.00 0.00 34.13 33.70 1nug s GLU 358 CO 0.19 0.61 0.98 1.03 -0.56 0.00 0.00 175.26 177.52 1nug s ARG 359 N -0.70 4.32 -0.20 4.30 0.52 -1.26 -4.41 118.95 121.52 1nug s ARG 359 Ca 0.11 1.34 -0.02 0.00 -0.52 0.00 0.00 55.73 56.64 1nug s ARG 359 Cb -0.11 -2.52 0.06 0.00 0.52 0.00 0.00 34.95 32.90 1nug s ARG 359 CO 0.00 0.03 -0.00 0.45 0.02 0.00 0.00 175.30 175.80 1nug s SER 360 N -1.76 3.09 -1.13 0.23 0.15 0.17 -4.70 113.70 109.75 1nug s SER 360 Ca 0.57 -0.86 -0.05 0.00 0.70 0.00 0.00 55.95 56.30 1nug s SER 360 Cb -0.17 -0.78 0.01 0.00 -1.71 0.00 0.00 66.02 63.36 1nug s SER 360 CO 0.22 -0.27 0.65 0.00 1.20 0.00 0.00 173.24 175.04 1nug n GLN 361 N 4.93 -4.72 -0.87 5.44 6.02 -1.26 -2.35 117.38 124.57 1nug n GLN 361 Ca -0.10 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 1nug n GLN 361 Cb 0.46 -5.10 0.00 0.00 1.02 0.00 0.00 30.24 26.62 1nug n GLN 361 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nug n GLY 362 N -1.47 0.94 3.29 1.08 0.00 -1.26 -5.01 105.19 102.76 1nug n GLY 362 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 1nug n GLY 362 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nug s VAL 363 N -3.49 1.79 -1.07 1.61 1.01 -0.99 -5.02 120.40 114.24 1nug s VAL 363 Ca 0.00 -1.48 -0.22 0.00 0.00 0.00 0.00 61.98 60.28 1nug s VAL 363 Cb 0.00 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.84 1nug s VAL 363 CO 0.00 0.04 1.48 -0.36 0.00 0.00 0.00 175.10 176.25 1nug s PHE 364 N -1.05 2.64 0.06 5.22 0.40 -1.26 0.41 117.98 124.40 1nug s PHE 364 Ca 0.08 -1.05 -0.06 0.00 -0.60 0.00 0.00 56.93 55.30 1nug s PHE 364 Cb -0.10 -4.67 -0.02 0.00 0.51 0.00 0.00 43.02 38.74 1nug s PHE 364 CO 0.04 -1.87 0.10 1.14 0.70 0.00 0.00 175.22 175.32 1nug s GLN 365 N 4.61 0.71 -0.24 0.44 -2.07 -1.26 -4.15 119.66 117.69 1nug s GLN 365 Ca 0.46 -0.99 -0.12 0.00 -1.82 0.00 0.00 55.36 52.89 1nug s GLN 365 Cb 0.00 0.27 0.08 0.00 -1.09 0.00 0.00 33.01 32.28 1nug s GLN 365 CO -0.07 -0.19 0.58 0.00 -1.32 0.00 0.00 175.29 174.30 1nug n GLY 367 N 4.56 -0.36 3.74 0.00 0.00 -1.26 -2.26 105.19 109.61 1nug n GLY 367 Ca -0.19 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.58 1nug n GLY 367 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nug s PRO 368 N -1.10 4.44 -0.20 1.61 0.04 -1.25 -4.54 135.00 134.01 1nug s PRO 368 Ca 0.00 1.97 0.01 0.00 0.04 0.00 0.00 61.00 63.02 1nug s PRO 368 Cb 0.00 -3.21 0.03 0.00 0.04 0.00 0.00 34.50 31.36 1nug s PRO 368 CO 0.00 -0.16 -0.18 0.00 0.04 0.00 0.00 177.00 176.71 1nug s ALA 369 N -0.07 2.35 0.02 8.56 0.00 -0.80 -0.18 121.76 131.65 1nug s ALA 369 Ca 0.54 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 1nug s ALA 369 Cb -0.35 -1.26 -0.09 0.00 0.00 0.00 0.00 23.12 21.43 1nug s ALA 369 CO 0.38 -0.54 1.98 0.45 0.00 0.00 0.00 175.76 178.04 1nug s SER 370 N 1.26 6.39 0.19 0.00 0.15 -1.26 -0.18 113.70 120.24 1nug s SER 370 Ca 0.02 2.63 -0.12 0.00 0.70 0.00 0.00 55.95 59.17 1nug s SER 370 Cb -0.14 -2.53 0.14 0.00 -1.71 0.00 0.00 66.02 61.78 1nug s SER 370 CO -0.11 -1.11 1.80 0.58 1.20 0.00 0.00 173.24 175.61 1nug h VAL 371 N 5.72 1.00 -0.44 4.45 2.07 -1.72 -0.44 116.25 126.90 1nug h VAL 371 Ca -0.49 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 66.90 1nug h VAL 371 Cb 1.24 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1nug h VAL 371 CO 0.94 0.11 0.08 0.40 0.02 0.00 0.00 177.57 179.12 1nug h ILE 372 N 0.59 0.76 -0.55 4.57 2.04 -1.81 -0.80 117.51 122.32 1nug h ILE 372 Ca 0.23 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 1nug h ILE 372 Cb 0.10 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1nug h ILE 372 CO -0.14 0.04 0.29 1.23 0.00 0.00 0.00 178.15 179.58 1nug h GLY 373 N 0.21 0.80 1.26 5.37 0.00 -1.65 -2.26 103.07 106.80 1nug h GLY 373 Ca 0.22 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1nug h GLY 373 CO -0.29 0.33 0.14 -2.08 0.00 0.00 0.00 176.54 174.64 1nug h VAL 374 N 0.76 1.24 -0.05 4.60 2.07 0.29 -1.83 116.25 123.32 1nug h VAL 374 Ca 0.19 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.74 1nug h VAL 374 Cb 0.03 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1nug h VAL 374 CO -0.03 0.33 -0.43 -0.09 0.02 0.00 0.00 177.57 177.37 1nug h ARG 375 N 0.89 0.12 -0.01 1.57 2.43 -0.75 -2.81 114.38 115.82 1nug h ARG 375 Ca 0.19 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1nug h ARG 375 Cb 0.33 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1nug h ARG 375 CO 0.00 0.53 -0.23 0.39 -1.51 0.00 0.00 179.97 179.15 1nug n GLU 376 N -4.02 0.94 -2.73 0.20 -0.58 -1.02 -4.56 120.64 108.88 1nug n GLU 376 Ca -0.02 -0.56 -0.09 0.00 -0.42 0.00 0.00 57.16 56.07 1nug n GLU 376 Cb 0.47 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 29.88 1nug n GLU 376 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nug n GLY 377 N 1.32 0.28 2.66 0.62 0.00 -0.75 -4.90 105.19 104.41 1nug n GLY 377 Ca 0.13 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1nug n GLY 377 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nug n ASP 378 N -0.10 7.44 -0.08 1.61 8.00 -0.82 -4.21 116.55 128.39 1nug n ASP 378 Ca -0.02 -3.65 0.00 0.00 0.71 0.00 0.00 54.79 51.82 1nug n ASP 378 Cb 0.54 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1nug n ASP 378 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1nug n VAL 379 N 0.05 0.00 0.56 2.53 0.24 -1.26 -2.81 118.33 117.65 1nug n VAL 379 Ca 0.49 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.91 1nug n VAL 379 Cb 0.26 -0.25 0.12 0.00 -1.47 0.00 0.00 33.84 32.50 1nug n VAL 379 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nug n GLN 380 N -0.37 0.29 -2.42 7.34 0.00 -1.26 -4.10 117.38 116.86 1nug n GLN 380 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 57.00 56.74 1nug n GLN 380 Cb 0.02 -1.65 -0.02 0.00 0.00 0.00 0.00 30.24 28.59 1nug n GLN 380 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1nug s LEU 381 N -4.13 3.59 0.42 2.61 1.43 -1.12 -5.05 118.68 116.42 1nug s LEU 381 Ca 0.05 1.37 -0.22 0.00 -1.03 0.00 0.00 54.13 54.30 1nug s LEU 381 Cb 0.14 -4.32 -0.10 0.00 0.03 0.00 0.00 46.19 41.94 1nug s LEU 381 CO 0.75 -0.60 0.98 0.20 0.23 0.00 0.00 176.35 177.91 1nug s ASN 382 N -3.43 6.84 0.07 2.29 0.01 -1.26 -4.25 114.94 115.21 1nug s ASN 382 Ca 0.55 1.82 0.07 0.00 -0.71 0.00 0.00 52.86 54.59 1nug s ASN 382 Cb -0.10 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 1nug s ASN 382 CO 0.37 -0.43 -0.19 -0.36 -1.51 0.00 0.00 177.10 174.98 1nug s PHE 383 N -1.96 1.66 -1.56 2.20 0.40 0.75 -4.66 117.98 114.81 1nug s PHE 383 Ca 0.61 -0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 56.38 1nug s PHE 383 Cb -0.14 -0.94 0.12 0.00 0.51 0.00 0.00 43.02 42.56 1nug s PHE 383 CO 0.19 0.14 0.80 -0.25 0.70 0.00 0.00 175.22 176.79 1nug n ASP 384 N 1.42 -3.97 0.16 1.36 8.00 -1.26 -4.09 116.55 118.17 1nug n ASP 384 Ca -0.19 -0.79 -0.14 0.00 0.71 0.00 0.00 54.79 54.37 1nug n ASP 384 Cb 0.54 -3.22 -0.08 0.00 -0.02 0.00 0.00 41.12 38.34 1nug n ASP 384 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1nug h MET 385 N -1.58 -0.34 -0.75 -1.24 2.86 -1.81 -3.03 114.93 109.04 1nug h MET 385 Ca -0.55 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.26 1nug h MET 385 Cb 1.36 0.08 -0.14 0.00 0.06 0.00 0.00 31.60 32.96 1nug h MET 385 CO 0.69 -0.19 -0.21 -1.35 1.06 0.00 0.00 176.91 176.91 1nug h PRO 386 N -0.41 -0.02 -0.22 -0.22 0.11 -1.91 -0.43 132.00 128.91 1nug h PRO 386 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 1nug h PRO 386 Cb 0.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1nug h PRO 386 CO 0.06 -0.01 0.07 0.35 -0.21 0.00 0.00 178.00 178.25 1nug h PHE 387 N -0.02 0.35 -0.49 0.65 3.57 -1.94 -2.71 116.94 116.34 1nug h PHE 387 Ca 0.35 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.74 1nug h PHE 387 Cb 0.56 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1nug h PHE 387 CO -0.62 0.41 0.00 0.82 -2.23 0.00 0.00 178.31 176.70 1nug h ILE 388 N 0.18 1.26 -0.36 1.41 2.04 -1.32 -1.91 117.51 118.80 1nug h ILE 388 Ca 0.07 -1.07 0.05 0.00 1.00 0.00 0.00 64.86 64.91 1nug h ILE 388 Cb 0.23 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1nug h ILE 388 CO -0.00 0.37 0.10 0.15 0.00 0.00 0.00 178.15 178.77 1nug h PHE 389 N 0.73 0.17 -0.86 1.37 3.57 -1.09 -1.46 116.94 119.37 1nug h PHE 389 Ca 0.14 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1nug h PHE 389 Cb 0.51 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1nug h PHE 389 CO 0.04 0.06 0.57 0.00 -2.23 0.00 0.00 178.31 176.74 1nug h ALA 390 N 1.25 1.42 -0.92 2.41 0.00 -1.27 0.23 119.26 122.38 1nug h ALA 390 Ca 0.17 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1nug h ALA 390 Cb 0.17 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1nug h ALA 390 CO -0.20 0.52 0.59 0.93 0.00 0.00 0.00 179.25 181.10 1nug h GLU 391 N 1.13 0.95 0.00 0.00 5.08 -0.46 -1.33 114.58 119.94 1nug h GLU 391 Ca 0.33 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1nug h GLU 391 Cb -0.07 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 1nug h GLU 391 CO -0.08 0.63 -2.08 1.33 -1.00 0.00 0.00 179.01 177.81 1nug n VAL 392 N -4.52 0.29 -2.83 3.13 0.24 -0.91 -2.26 118.33 111.46 1nug n VAL 392 Ca 0.15 -0.57 -0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1nug n VAL 392 Cb 0.26 -0.09 0.05 0.00 -1.47 0.00 0.00 33.84 32.59 1nug n VAL 392 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1nug n ASN 393 N -2.36 1.50 -4.90 -1.34 5.15 0.76 -3.14 115.26 110.93 1nug n ASN 393 Ca -0.10 -2.02 -0.29 0.00 -0.60 0.00 0.00 54.58 51.57 1nug n ASN 393 Cb 0.69 -0.45 -0.03 0.00 -0.53 0.00 0.00 39.78 39.46 1nug n ASN 393 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nug s ALA 394 N -3.69 3.55 0.27 5.20 0.00 -0.51 -4.82 121.76 121.75 1nug s ALA 394 Ca 0.27 -0.48 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 1nug s ALA 394 Cb 0.32 -2.41 -0.09 0.00 0.00 0.00 0.00 23.12 20.95 1nug s ALA 394 CO -0.04 0.14 0.76 -0.51 0.00 0.00 0.00 175.76 176.11 1nug s ASP 395 N -3.25 7.01 -0.21 0.00 1.01 -0.52 -4.42 116.67 116.29 1nug s ASP 395 Ca 0.46 1.44 -0.06 0.00 0.71 0.00 0.00 52.55 55.10 1nug s ASP 395 Cb -0.11 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.37 1nug s ASP 395 CO 0.31 -0.06 0.03 -0.60 0.21 0.00 0.00 175.17 175.06 1nug s ARG 396 N -2.31 3.69 -0.13 8.23 3.52 -0.06 -1.40 118.95 130.49 1nug s ARG 396 Ca 0.48 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 1nug s ARG 396 Cb -0.15 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1nug s ARG 396 CO 0.20 0.01 -0.14 0.42 -0.81 0.00 0.00 175.30 174.98 1nug s ILE 397 N 1.03 2.90 -0.19 4.11 1.01 -0.41 -0.40 121.20 129.25 1nug s ILE 397 Ca 0.03 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 1nug s ILE 397 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1nug s ILE 397 CO 0.02 0.53 0.08 -0.89 0.00 0.00 0.00 174.94 174.68 1nug s THR 398 N 0.41 4.96 0.17 2.92 2.01 -0.52 -1.63 115.64 123.95 1nug s THR 398 Ca -0.11 0.03 0.11 0.00 0.31 0.00 0.00 61.69 62.03 1nug s THR 398 Cb -0.16 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1nug s THR 398 CO 0.05 0.45 -0.25 0.26 -0.69 0.00 0.00 174.62 174.44 1nug s TRP 399 N 0.39 2.30 -0.07 4.92 0.52 0.23 0.25 118.94 127.48 1nug s TRP 399 Ca 0.04 -0.37 0.00 0.00 0.02 0.00 0.00 56.10 55.80 1nug s TRP 399 Cb -0.12 -1.18 -0.03 0.00 -1.15 0.00 0.00 33.47 30.99 1nug s TRP 399 CO -0.00 0.43 -0.06 -0.51 0.02 0.00 0.00 176.95 176.83 1nug s LEU 400 N -2.42 3.20 -0.06 2.99 2.01 -0.41 -1.83 118.68 122.16 1nug s LEU 400 Ca 0.18 -0.01 -0.02 0.00 0.01 0.00 0.00 54.13 54.28 1nug s LEU 400 Cb -0.09 -1.70 0.04 0.00 0.01 0.00 0.00 46.19 44.45 1nug s LEU 400 CO 0.08 0.36 0.12 -0.47 1.01 0.00 0.00 176.35 177.45 1nug s TYR 401 N -0.77 -0.12 -0.38 0.29 6.14 -0.28 -1.30 117.35 120.93 1nug s TYR 401 Ca 0.12 0.43 -0.02 0.00 0.64 0.00 0.00 57.07 58.24 1nug s TYR 401 Cb -0.11 -0.15 0.10 0.00 0.42 0.00 0.00 41.96 42.22 1nug s TYR 401 CO 0.02 -0.17 0.15 0.34 0.64 0.00 0.00 175.55 176.53 1nug s ASP 402 N 1.33 5.13 0.47 4.32 -1.08 -0.77 -4.24 116.67 121.83 1nug s ASP 402 Ca -0.07 -1.96 0.20 0.00 -0.52 0.00 0.00 52.55 50.20 1nug s ASP 402 Cb -0.12 -1.78 1.21 0.00 -1.46 0.00 0.00 42.92 40.76 1nug s ASP 402 CO -0.05 -0.48 1.94 -1.13 0.52 0.00 0.00 175.17 175.96 1nug h ASN 403 N 7.97 0.23 0.22 -0.34 -1.24 -1.93 0.16 115.58 120.65 1nug h ASN 403 Ca -0.12 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 56.87 1nug h ASN 403 Cb 1.04 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 40.06 1nug h ASN 403 CO 0.65 0.12 -0.13 0.71 -1.29 0.00 0.00 177.43 177.48 1nug h THR 404 N 0.24 0.85 0.00 -3.57 1.35 -1.96 -3.12 112.91 106.70 1nug h THR 404 Ca 0.34 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1nug h THR 404 Cb 0.99 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1nug h THR 404 CO -0.07 0.13 -1.44 0.35 -0.25 0.00 0.00 175.52 174.23 1nug n THR 405 N -4.01 0.00 0.00 6.82 -2.24 -0.39 -4.98 114.28 109.48 1nug n THR 405 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1nug n THR 405 Cb 0.22 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1nug n THR 405 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nug n GLY 406 N 1.94 2.30 3.77 3.38 0.00 0.41 -5.00 105.19 111.98 1nug n GLY 406 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1nug n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nug s LYS 407 N -0.35 4.25 -0.04 1.61 1.02 -1.22 -4.87 119.74 120.15 1nug s LYS 407 Ca 0.00 2.36 0.02 0.00 0.02 0.00 0.00 55.97 58.37 1nug s LYS 407 Cb 0.00 -3.03 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 1nug s LYS 407 CO 0.00 -0.34 -0.09 -1.14 -0.92 0.00 0.00 175.35 172.86 1nug s GLN 408 N -1.78 1.10 -0.11 1.68 0.74 -1.26 -1.84 119.66 118.19 1nug s GLN 408 Ca 0.51 -0.30 -0.05 0.00 0.05 0.00 0.00 55.36 55.57 1nug s GLN 408 Cb -0.43 -1.01 0.05 0.00 1.10 0.00 0.00 33.01 32.73 1nug s GLN 408 CO 0.56 0.07 0.25 1.67 -0.55 0.00 0.00 175.29 177.29 1nug s TRP 409 N 0.38 -0.35 0.28 1.67 -2.14 -0.42 -5.00 118.94 113.36 1nug s TRP 409 Ca -0.07 0.83 -0.30 0.00 2.66 0.00 0.00 56.10 59.22 1nug s TRP 409 Cb -0.11 0.02 -0.11 0.00 -3.10 0.00 0.00 33.47 30.17 1nug s TRP 409 CO 0.01 -0.26 1.61 0.21 -2.66 0.00 0.00 176.95 175.86 1nug s LYS 410 N 1.55 4.13 -0.21 3.25 2.20 -1.26 -1.28 119.74 128.11 1nug s LYS 410 Ca -0.07 2.58 0.01 0.00 -0.36 0.00 0.00 55.97 58.12 1nug s LYS 410 Cb -0.11 -3.03 -0.14 0.00 -1.51 0.00 0.00 37.83 33.04 1nug s LYS 410 CO -0.09 -0.65 -0.20 -1.71 -0.36 0.00 0.00 175.35 172.35 1nug n ASN 411 N 2.50 2.29 -3.56 1.43 2.85 0.14 -4.89 115.26 116.02 1nug n ASN 411 Ca 0.09 -0.08 -0.06 0.00 -0.11 0.00 0.00 54.58 54.42 1nug n ASN 411 Cb 0.37 -0.36 -0.02 0.00 1.24 0.00 0.00 39.78 41.01 1nug n ASN 411 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1nug s SER 412 N -6.14 -0.25 -0.13 1.20 1.04 -1.18 -4.99 113.70 103.26 1nug s SER 412 Ca -0.29 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1nug s SER 412 Cb 0.08 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.51 1nug s SER 412 CO 0.48 -0.49 -0.11 -0.69 0.98 0.00 0.00 173.24 173.41 1nug s VAL 413 N -2.84 1.32 -0.23 5.02 1.01 -1.26 -1.45 120.40 121.97 1nug s VAL 413 Ca 0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1nug s VAL 413 Cb -0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1nug s VAL 413 CO -0.06 0.42 -0.04 0.21 0.00 0.00 0.00 175.10 175.63 1nug s ASN 414 N 1.51 4.36 0.00 3.32 3.84 0.46 -4.98 114.94 123.46 1nug s ASN 414 Ca 0.03 -0.49 0.23 0.00 0.21 0.00 0.00 52.86 52.84 1nug s ASN 414 Cb -0.13 -1.74 0.49 0.00 -0.55 0.00 0.00 41.25 39.32 1nug s ASN 414 CO -0.08 -0.05 1.43 -1.20 -2.79 0.00 0.00 177.10 174.40 1nug n SER 415 N 4.78 2.83 0.00 -4.21 7.64 -1.26 -0.89 113.62 122.52 1nug n SER 415 Ca -0.18 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 57.80 1nug n SER 415 Cb 0.50 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1nug n SER 415 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1nug n HIS 416 N 1.12 0.00 0.12 1.43 8.25 -1.26 -4.81 115.22 120.07 1nug n HIS 416 Ca 0.17 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.64 1nug n HIS 416 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1nug n HIS 416 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nug h THR 417 N 0.36 1.04 -3.57 1.59 1.03 -1.90 -3.46 112.91 108.00 1nug h THR 417 Ca 0.00 -2.45 -0.52 0.00 -0.01 0.00 0.00 66.41 63.43 1nug h THR 417 Cb 0.18 2.50 -0.02 0.00 -1.07 0.00 0.00 68.15 69.74 1nug h THR 417 CO 0.00 0.59 0.32 -0.63 -0.01 0.00 0.00 175.52 175.79 1nug s ILE 418 N -2.92 4.46 -0.14 0.00 -1.09 -1.26 -4.50 121.20 115.75 1nug s ILE 418 Ca 0.03 2.00 -0.01 0.00 -2.23 0.00 0.00 60.65 60.44 1nug s ILE 418 Cb 0.08 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 1nug s ILE 418 CO 0.76 0.36 0.14 0.61 -1.23 0.00 0.00 174.94 175.58 1nug n GLY 419 N 2.13 -0.61 3.28 6.18 0.00 -0.92 -4.46 105.19 110.79 1nug n GLY 419 Ca 0.01 0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1nug n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nug s ARG 420 N -2.47 1.13 -1.66 1.61 0.52 -0.71 -4.84 118.95 112.54 1nug s ARG 420 Ca 0.02 -1.31 -0.10 0.00 -0.52 0.00 0.00 55.73 53.81 1nug s ARG 420 Cb -0.00 -1.09 0.10 0.00 0.52 0.00 0.00 34.95 34.48 1nug s ARG 420 CO 0.16 0.21 0.37 0.66 0.02 0.00 0.00 175.30 176.73 1nug n TYR 421 N 0.43 -1.37 -1.67 -0.53 0.53 -1.26 -2.41 117.16 110.88 1nug n TYR 421 Ca -0.14 0.69 -0.43 0.00 -1.02 0.00 0.00 57.90 57.00 1nug n TYR 421 Cb 0.57 -2.68 -0.03 0.00 -1.03 0.00 0.00 39.34 36.17 1nug n TYR 421 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 1nug s ILE 422 N -3.80 3.07 0.23 -0.72 1.01 -1.26 -4.56 121.20 115.18 1nug s ILE 422 Ca 0.38 0.07 0.11 0.00 0.00 0.00 0.00 60.65 61.21 1nug s ILE 422 Cb -0.22 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1nug s ILE 422 CO 0.98 -0.04 -0.20 -0.44 0.00 0.00 0.00 174.94 175.25 1nug s SER 423 N 6.77 3.27 0.06 3.58 0.01 -0.02 0.59 113.70 127.96 1nug s SER 423 Ca 0.94 -0.97 -0.17 0.00 1.31 0.00 0.00 55.95 57.06 1nug s SER 423 Cb -0.35 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 65.67 1nug s SER 423 CO 0.37 0.01 0.39 0.28 0.41 0.00 0.00 173.24 174.70 1nug s THR 424 N -2.36 0.06 0.24 1.44 -1.32 -0.13 -0.41 115.64 113.16 1nug s THR 424 Ca 0.25 -0.53 -0.30 0.00 -1.21 0.00 0.00 61.69 59.89 1nug s THR 424 Cb -0.05 -1.01 -0.10 0.00 -1.51 0.00 0.00 72.50 69.83 1nug s THR 424 CO 0.11 -0.29 1.44 -0.75 -2.21 0.00 0.00 174.62 172.92 1nug s LYS 425 N -2.83 4.27 0.63 7.08 2.20 -1.26 0.22 119.74 130.05 1nug s LYS 425 Ca -0.03 2.28 -0.16 0.00 -0.36 0.00 0.00 55.97 57.70 1nug s LYS 425 Cb -0.00 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 1nug s LYS 425 CO -0.05 -0.42 1.12 0.00 -0.36 0.00 0.00 175.35 175.64 1nug s ALA 426 N 0.07 2.53 0.16 3.13 0.00 -0.41 -4.73 121.76 122.51 1nug s ALA 426 Ca 0.60 0.63 -0.31 0.00 0.00 0.00 0.00 51.96 52.88 1nug s ALA 426 Cb -0.41 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 19.29 1nug s ALA 426 CO 0.42 -1.14 1.39 0.08 0.00 0.00 0.00 175.76 176.52 1nug s VAL 427 N -2.17 3.12 0.00 0.00 1.01 -1.26 -3.11 120.40 117.99 1nug s VAL 427 Ca 0.69 0.85 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1nug s VAL 427 Cb -0.22 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1nug s VAL 427 CO 0.37 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1nug n GLY 428 N 3.03 0.47 2.30 4.51 0.00 -1.26 -4.94 105.19 109.30 1nug n GLY 428 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1nug n GLY 428 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nug n SER 429 N -0.11 -1.15 -1.11 1.61 3.41 -1.18 -5.05 113.62 110.04 1nug n SER 429 Ca 0.00 -2.15 0.11 0.00 -0.26 0.00 0.00 58.87 56.57 1nug n SER 429 Cb 0.06 2.01 0.23 0.00 -0.26 0.00 0.00 64.21 66.25 1nug n SER 429 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1nug n ASN 430 N -1.60 3.47 -4.69 4.04 3.02 -1.26 -4.02 115.26 114.22 1nug n ASN 430 Ca -0.02 -1.97 -0.32 0.00 -0.03 0.00 0.00 54.58 52.24 1nug n ASN 430 Cb 0.38 -0.31 0.14 0.00 -0.61 0.00 0.00 39.78 39.39 1nug n ASN 430 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nug s ALA 431 N -1.24 1.69 -0.21 5.41 0.00 -1.26 -4.74 121.76 121.41 1nug s ALA 431 Ca 0.39 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 52.87 1nug s ALA 431 Cb 0.21 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 1nug s ALA 431 CO 0.29 -2.48 0.55 0.50 0.00 0.00 0.00 175.76 174.61 1nug s ARG 432 N -4.39 4.17 -0.39 0.00 3.52 -1.26 -1.28 118.95 119.32 1nug s ARG 432 Ca 0.70 0.45 -0.16 0.00 -0.13 0.00 0.00 55.73 56.59 1nug s ARG 432 Cb -0.26 -3.58 0.01 0.00 -1.56 0.00 0.00 34.95 29.56 1nug s ARG 432 CO 0.54 -0.21 0.35 1.41 -0.81 0.00 0.00 175.30 176.58 1nug s MET 433 N 1.85 3.19 -0.14 5.12 1.75 0.13 -4.86 119.30 126.35 1nug s MET 433 Ca 0.25 -0.77 -0.25 0.00 -1.25 0.00 0.00 55.69 53.66 1nug s MET 433 Cb -0.16 -3.92 -0.02 0.00 2.84 0.00 0.00 34.83 33.57 1nug s MET 433 CO 0.10 -0.71 0.81 0.34 -0.65 0.00 0.00 175.02 174.91 1nug s ASP 434 N 1.74 6.99 -0.14 1.11 -1.08 -1.26 -0.96 116.67 123.07 1nug s ASP 434 Ca 0.09 1.21 0.15 0.00 -0.52 0.00 0.00 52.55 53.47 1nug s ASP 434 Cb -0.18 -2.45 0.36 0.00 -1.46 0.00 0.00 42.92 39.19 1nug s ASP 434 CO 0.12 -0.33 1.18 1.33 0.52 0.00 0.00 175.17 177.99 1nug n VAL 435 N 4.48 1.60 -0.16 1.11 0.24 0.20 -4.77 118.33 121.04 1nug n VAL 435 Ca 0.03 -2.40 -0.05 0.00 -2.04 0.00 0.00 64.34 59.88 1nug n VAL 435 Cb 0.49 0.02 0.04 0.00 -1.47 0.00 0.00 33.84 32.93 1nug n VAL 435 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1nug h THR 436 N 2.21 0.97 0.00 3.34 2.02 -1.92 0.06 112.91 119.59 1nug h THR 436 Ca -0.04 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1nug h THR 436 Cb 1.18 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1nug h THR 436 CO 0.02 0.09 0.16 -2.24 0.37 0.00 0.00 175.52 173.92 1nug h ASP 437 N 0.49 0.00 0.87 4.18 2.03 -1.86 0.42 116.42 122.55 1nug h ASP 437 Ca 0.21 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.30 1nug h ASP 437 Cb 0.11 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.57 1nug h ASP 437 CO -0.14 0.00 -1.21 0.11 -1.03 0.00 0.00 179.24 176.96 1nug h LYS 438 N 0.00 0.00 0.00 4.15 1.79 -1.34 -3.37 116.57 117.80 1nug h LYS 438 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1nug h LYS 438 Cb 0.32 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1nug h LYS 438 CO 0.00 0.59 -1.47 0.66 -1.08 0.00 0.00 179.45 178.15 1nug n TYR 439 N -3.13 0.57 -3.51 -1.35 4.02 0.06 -4.54 117.16 109.28 1nug n TYR 439 Ca -0.07 0.17 -0.14 0.00 -0.01 0.00 0.00 57.90 57.85 1nug n TYR 439 Cb 0.91 -0.80 -0.04 0.00 -0.02 0.00 0.00 39.34 39.39 1nug n TYR 439 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1nug s LYS 440 N -3.35 1.12 0.55 -0.72 -2.85 -0.75 -3.40 119.74 110.33 1nug s LYS 440 Ca -0.04 -0.17 -0.18 0.00 -1.00 0.00 0.00 55.97 54.58 1nug s LYS 440 Cb 0.11 0.52 -0.06 0.00 -2.06 0.00 0.00 37.83 36.34 1nug s LYS 440 CO 0.84 -0.42 1.05 0.71 0.10 0.00 0.00 175.35 177.63 1nug s TYR 441 N -2.51 3.01 -0.24 1.78 1.51 -1.26 -4.32 117.35 115.32 1nug s TYR 441 Ca -0.05 1.53 -0.42 0.00 -1.01 0.00 0.00 57.07 57.13 1nug s TYR 441 Cb -0.01 -3.02 -0.18 0.00 -0.11 0.00 0.00 41.96 38.64 1nug s TYR 441 CO -0.02 -0.97 1.51 -2.30 -1.11 0.00 0.00 175.55 172.65 1nug n PRO 442 N -1.59 0.58 -1.72 -1.71 -0.02 -1.26 -4.59 135.00 124.69 1nug n PRO 442 Ca 0.09 0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 1nug n PRO 442 Cb 0.53 -1.80 -0.02 0.00 -0.02 0.00 0.00 33.50 32.19 1nug n PRO 442 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1nug n GLU 443 N 3.75 2.59 -0.31 -0.52 -0.58 -1.26 -1.28 120.64 123.02 1nug n GLU 443 Ca 0.25 0.92 0.00 0.00 -0.42 0.00 0.00 57.16 57.92 1nug n GLU 443 Cb 0.07 -2.71 0.00 0.00 -0.57 0.00 0.00 31.44 28.23 1nug n GLU 443 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nug n GLY 444 N 2.82 0.71 3.78 0.62 0.00 -1.26 -5.07 105.19 106.81 1nug n GLY 444 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1nug n GLY 444 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nug s SER 445 N -2.69 5.46 0.19 1.61 1.04 -0.41 -5.03 113.70 113.89 1nug s SER 445 Ca 0.00 -0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.21 1nug s SER 445 Cb 0.00 -1.42 0.12 0.00 0.10 0.00 0.00 66.02 64.82 1nug s SER 445 CO 0.00 0.09 1.74 0.44 0.98 0.00 0.00 173.24 176.49 1nug h ASP 446 N 2.58 1.00 -0.03 7.02 3.32 -1.98 -3.04 116.42 125.29 1nug h ASP 446 Ca -0.47 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 56.42 1nug h ASP 446 Cb 1.19 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.43 1nug h ASP 446 CO 0.63 0.92 -0.39 1.56 -1.72 0.00 0.00 179.24 180.24 1nug h GLN 447 N 1.02 -0.50 -0.89 3.56 7.50 -1.96 0.34 115.11 124.18 1nug h GLN 447 Ca 0.23 0.03 0.17 0.00 0.50 0.00 0.00 58.65 59.59 1nug h GLN 447 Cb 0.25 0.11 -0.16 0.00 0.05 0.00 0.00 27.48 27.73 1nug h GLN 447 CO -0.01 -0.34 -0.26 1.49 -1.50 0.00 0.00 178.83 178.21 1nug h GLU 448 N -0.52 -0.01 -0.34 1.46 4.22 -1.76 0.32 114.58 117.94 1nug h GLU 448 Ca 0.06 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.38 1nug h GLU 448 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1nug h GLU 448 CO -0.32 -0.01 -0.28 -0.09 -2.18 0.00 0.00 179.01 176.13 1nug h ARG 449 N -0.01 0.71 -0.69 1.92 9.65 -1.14 -1.96 114.38 122.86 1nug h ARG 449 Ca 0.40 -0.31 -0.07 0.00 -1.10 0.00 0.00 59.98 58.90 1nug h ARG 449 Cb 0.64 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.17 1nug h ARG 449 CO -0.91 0.91 0.14 1.96 2.80 0.00 0.00 179.97 184.87 1nug h GLN 450 N 0.61 1.12 -0.36 0.20 4.20 0.32 -2.19 115.11 119.01 1nug h GLN 450 Ca 0.08 -0.28 -0.10 0.00 0.06 0.00 0.00 58.65 58.40 1nug h GLN 450 Cb 0.79 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1nug h GLN 450 CO 0.06 1.00 -0.18 0.28 -0.67 0.00 0.00 178.83 179.33 1nug h VAL 451 N 1.05 1.29 -0.17 -0.54 2.07 -0.74 -1.50 116.25 117.70 1nug h VAL 451 Ca 0.21 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.47 1nug h VAL 451 Cb 0.41 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1nug h VAL 451 CO 0.01 0.43 -0.15 0.15 0.02 0.00 0.00 177.57 178.03 1nug h PHE 452 N 0.54 -0.37 -0.90 1.57 3.57 -1.12 0.83 116.94 121.06 1nug h PHE 452 Ca 0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1nug h PHE 452 Cb 0.73 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1nug h PHE 452 CO 0.06 -0.21 0.56 1.96 -2.23 0.00 0.00 178.31 178.45 1nug h GLN 453 N -0.16 1.22 -0.18 1.11 1.08 -1.34 0.55 115.11 117.39 1nug h GLN 453 Ca 0.11 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1nug h GLN 453 Cb 0.32 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 1nug h GLN 453 CO -0.27 0.84 0.01 -0.22 -0.95 0.00 0.00 178.83 178.23 1nug h LYS 454 N 1.24 0.07 -0.50 1.46 3.64 -0.33 0.72 116.57 122.87 1nug h LYS 454 Ca 0.33 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.61 1nug h LYS 454 Cb -0.08 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1nug h LYS 454 CO -0.06 0.04 -0.07 0.00 -2.27 0.00 0.00 179.45 177.09 1nug h ALA 455 N 1.15 0.92 0.00 5.00 0.00 -0.38 -2.43 119.26 123.53 1nug h ALA 455 Ca 0.09 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1nug h ALA 455 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1nug h ALA 455 CO -0.14 0.63 -0.56 1.25 0.00 0.00 0.00 179.25 180.43 1nug h LEU 456 N 0.81 0.00 -0.87 0.00 5.85 -0.66 -2.83 115.31 117.61 1nug h LEU 456 Ca 0.14 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1nug h LEU 456 Cb 0.59 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1nug h LEU 456 CO 0.04 0.56 -0.55 1.23 -0.34 0.00 0.00 178.44 179.38 1nug h GLY 457 N 1.71 0.05 2.00 3.75 0.00 -0.49 -1.51 103.07 108.58 1nug h GLY 457 Ca -0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 1nug h GLY 457 CO 0.07 0.05 -0.53 0.50 0.00 0.00 0.00 176.54 176.64 1nug h LYS 458 N 0.04 0.00 0.17 4.80 1.57 -1.21 -3.13 116.57 118.80 1nug h LYS 458 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1nug h LYS 458 Cb 0.98 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.31 1nug h LYS 458 CO 0.07 0.53 -1.13 -0.07 -0.57 0.00 0.00 179.45 178.28 1nug h LEU 459 N 0.00 0.56 -6.68 2.94 3.38 -1.29 -3.43 115.31 110.78 1nug h LEU 459 Ca -0.01 -0.93 -0.53 0.00 0.09 0.00 0.00 57.88 56.51 1nug h LEU 459 Cb 1.24 -0.18 -0.39 0.00 0.09 0.00 0.00 40.66 41.42 1nug h LEU 459 CO 0.07 1.53 -0.79 -0.54 0.09 0.00 0.00 178.44 178.80 1nug s LYS 460 N -2.49 0.34 0.00 1.13 1.02 -0.59 -5.08 119.74 114.07 1nug s LYS 460 Ca -0.14 -0.79 -0.23 0.00 0.02 0.00 0.00 55.97 54.83 1nug s LYS 460 Cb 0.02 -1.15 -0.29 0.00 -0.52 0.00 0.00 37.83 35.89 1nug s LYS 460 CO 0.85 -1.09 1.38 -2.30 -0.92 0.00 0.00 175.35 173.26 1nug n PRO 461 N 4.80 0.00 0.00 -1.68 -0.02 -1.18 -4.52 135.00 132.39 1nug n PRO 461 Ca 0.01 -0.82 0.00 0.00 -2.02 0.00 0.00 63.50 60.68 1nug n PRO 461 Cb 0.41 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1nug n PRO 461 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1nug n GLU 479 N 7.07 0.00 -1.69 -0.52 2.13 -1.26 -5.14 120.64 121.23 1nug n GLU 479 Ca 0.36 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.76 1nug n GLU 479 Cb 0.35 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.06 1nug n GLU 479 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1nug n PRO 480 N 0.00 1.97 0.07 5.31 -0.02 -1.26 -4.90 135.00 136.16 1nug n PRO 480 Ca 0.00 0.69 -0.03 0.00 -2.02 0.00 0.00 63.50 62.14 1nug n PRO 480 Cb 0.00 -2.32 -0.07 0.00 -0.02 0.00 0.00 33.50 31.09 1nug n PRO 480 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1nug h SER 481 N 2.26 0.00 -3.32 2.55 0.02 -1.94 -3.46 113.55 109.66 1nug h SER 481 Ca -0.47 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 59.84 1nug h SER 481 Cb 1.29 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.62 1nug h SER 481 CO 0.61 0.77 -0.67 -0.63 -1.14 0.00 0.00 176.83 175.76 1nug s ILE 482 N -2.81 3.84 -0.06 3.27 -1.09 -1.26 0.28 121.20 123.37 1nug s ILE 482 Ca 0.00 -0.38 0.05 0.00 -2.23 0.00 0.00 60.65 58.10 1nug s ILE 482 Cb 0.09 -2.67 -0.01 0.00 -1.58 0.00 0.00 42.46 38.29 1nug s ILE 482 CO 0.80 0.50 -0.22 0.27 -1.23 0.00 0.00 174.94 175.06 1nug s ILE 483 N 0.28 1.85 0.25 2.92 -4.36 -1.01 -4.95 121.20 116.18 1nug s ILE 483 Ca -0.04 -0.94 0.10 0.00 -0.26 0.00 0.00 60.65 59.52 1nug s ILE 483 Cb -0.14 -1.58 -0.05 0.00 1.25 0.00 0.00 42.46 41.94 1nug s ILE 483 CO 0.03 0.52 -0.18 -0.83 0.24 0.00 0.00 174.94 174.72 1nug s GLY 484 N 0.03 1.70 -0.25 6.27 0.00 -1.26 -1.82 107.32 112.00 1nug s GLY 484 Ca -0.07 -1.79 -0.21 0.00 0.00 0.00 0.00 44.72 42.65 1nug s GLY 484 CO 0.04 -1.88 0.65 1.25 0.00 0.00 0.00 173.10 173.16 1nug s LYS 485 N -3.55 0.74 -0.28 2.90 2.47 -0.22 -4.95 119.74 116.85 1nug s LYS 485 Ca 0.27 0.96 -0.09 0.00 -1.56 0.00 0.00 55.97 55.55 1nug s LYS 485 Cb -0.03 0.31 -0.02 0.00 -1.46 0.00 0.00 37.83 36.63 1nug s LYS 485 CO 0.12 -0.10 0.12 -0.51 0.16 0.00 0.00 175.35 175.14 1nug s LEU 486 N 0.62 3.84 0.02 5.43 1.43 -1.26 -0.29 118.68 128.47 1nug s LEU 486 Ca -0.02 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 1nug s LEU 486 Cb -0.05 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1nug s LEU 486 CO -0.03 -0.12 -0.07 -0.54 0.23 0.00 0.00 176.35 175.82 1nug s LYS 487 N 1.63 2.48 -0.17 1.70 1.02 -0.70 -4.99 119.74 120.71 1nug s LYS 487 Ca 0.06 -0.77 -0.23 0.00 0.02 0.00 0.00 55.97 55.05 1nug s LYS 487 Cb -0.16 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 1nug s LYS 487 CO 0.06 0.59 0.70 0.08 -0.92 0.00 0.00 175.35 175.86 1nug s VAL 488 N -1.03 4.98 -0.52 3.17 1.01 -1.26 -1.75 120.40 124.99 1nug s VAL 488 Ca 0.18 1.37 -0.16 0.00 0.00 0.00 0.00 61.98 63.36 1nug s VAL 488 Cb -0.11 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 32.35 1nug s VAL 488 CO 0.09 0.11 0.51 0.00 0.00 0.00 0.00 175.10 175.80 1nug s ALA 489 N 1.80 3.57 0.00 5.51 0.00 0.61 -4.96 121.76 128.30 1nug s ALA 489 Ca 0.33 -2.32 0.00 0.00 0.00 0.00 0.00 51.96 49.97 1nug s ALA 489 Cb -0.16 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1nug s ALA 489 CO 0.12 -1.98 0.00 0.41 0.00 0.00 0.00 175.76 174.31 1nug n GLY 490 N 5.24 -0.91 3.76 0.00 0.00 -1.26 -4.36 105.19 107.65 1nug n GLY 490 Ca -0.12 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.70 1nug n GLY 490 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nug s MET 491 N 0.00 4.23 -0.30 1.61 1.75 -1.26 -5.06 119.30 120.27 1nug s MET 491 Ca 0.00 0.48 -0.02 0.00 -1.25 0.00 0.00 55.69 54.90 1nug s MET 491 Cb 0.00 -3.36 0.05 0.00 2.84 0.00 0.00 34.83 34.35 1nug s MET 491 CO 0.00 0.34 -0.00 -0.51 -0.65 0.00 0.00 175.02 174.20 1nug s LEU 492 N 0.01 3.83 -0.11 4.11 1.43 -1.26 -4.80 118.68 121.89 1nug s LEU 492 Ca 0.26 -1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 52.05 1nug s LEU 492 Cb -0.16 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1nug s LEU 492 CO 0.12 -0.25 0.29 0.00 0.23 0.00 0.00 176.35 176.75 1nug s ALA 493 N 1.27 -0.73 -0.07 4.21 0.00 -1.26 -1.18 121.76 124.00 1nug s ALA 493 Ca -0.04 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 1nug s ALA 493 Cb -0.19 -0.50 -0.08 0.00 0.00 0.00 0.00 23.12 22.35 1nug s ALA 493 CO -0.01 -0.14 2.06 0.28 0.00 0.00 0.00 175.76 177.94 1nug n VAL 494 N 3.00 0.60 0.00 0.00 0.31 0.05 -0.43 118.33 121.86 1nug n VAL 494 Ca -0.14 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1nug n VAL 494 Cb 0.58 -2.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.16 1nug n VAL 494 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nug n GLY 495 N 5.01 1.71 3.92 2.92 0.00 -1.26 -4.65 105.19 112.83 1nug n GLY 495 Ca 0.24 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1nug n GLY 495 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nug s LYS 496 N 0.00 3.58 0.68 1.61 1.02 0.43 -4.79 119.74 122.27 1nug s LYS 496 Ca 0.00 -0.12 -0.15 0.00 0.02 0.00 0.00 55.97 55.72 1nug s LYS 496 Cb 0.00 -2.66 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1nug s LYS 496 CO 0.00 0.20 1.13 -1.83 -0.92 0.00 0.00 175.35 173.93 1nug s GLU 497 N -3.77 2.62 -0.25 1.68 -1.05 -1.26 -4.47 118.70 112.21 1nug s GLU 497 Ca 0.42 1.46 -0.12 0.00 -0.15 0.00 0.00 54.97 56.58 1nug s GLU 497 Cb -0.10 -1.92 -0.05 0.00 -0.44 0.00 0.00 34.13 31.62 1nug s GLU 497 CO 0.32 -1.40 0.21 0.08 0.95 0.00 0.00 175.26 175.42 1nug s VAL 498 N -2.29 5.31 -0.21 1.83 1.01 0.20 -4.82 120.40 121.43 1nug s VAL 498 Ca 0.68 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.94 1nug s VAL 498 Cb -0.22 -3.55 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1nug s VAL 498 CO 0.43 0.29 -0.16 0.20 0.00 0.00 0.00 175.10 175.86 1nug s ASN 499 N 1.29 3.62 0.37 3.32 0.01 -1.26 -0.69 114.94 121.60 1nug s ASN 499 Ca 0.09 -0.93 0.04 0.00 -0.71 0.00 0.00 52.86 51.35 1nug s ASN 499 Cb -0.14 -1.49 -0.06 0.00 0.41 0.00 0.00 41.25 39.96 1nug s ASN 499 CO 0.07 -0.08 0.05 -0.76 -1.51 0.00 0.00 177.10 174.88 1nug s LEU 500 N 1.23 2.33 -0.09 0.60 1.02 0.51 -0.28 118.68 124.00 1nug s LEU 500 Ca -0.00 -1.43 -0.05 0.00 0.02 0.00 0.00 54.13 52.66 1nug s LEU 500 Cb -0.16 -0.50 0.04 0.00 0.02 0.00 0.00 46.19 45.59 1nug s LEU 500 CO -0.10 -0.63 0.21 -0.69 0.02 0.00 0.00 176.35 175.17 1nug s VAL 501 N -3.12 -0.03 -0.37 -1.59 1.01 -0.72 -0.76 120.40 114.82 1nug s VAL 501 Ca 0.32 0.10 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 1nug s VAL 501 Cb 0.08 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1nug s VAL 501 CO 0.15 0.04 0.35 -0.22 0.00 0.00 0.00 175.10 175.42 1nug s LEU 502 N 0.83 4.68 -0.24 3.92 2.96 -0.79 -1.72 118.68 128.32 1nug s LEU 502 Ca -0.06 -0.50 -0.17 0.00 -0.22 0.00 0.00 54.13 53.18 1nug s LEU 502 Cb -0.07 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 1nug s LEU 502 CO -0.05 -0.41 0.47 -0.22 -1.32 0.00 0.00 176.35 174.83 1nug s LEU 503 N 1.94 4.09 -0.00 -0.68 2.96 0.60 -2.03 118.68 125.56 1nug s LEU 503 Ca 0.10 0.52 0.08 0.00 -0.22 0.00 0.00 54.13 54.60 1nug s LEU 503 Cb -0.17 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 1nug s LEU 503 CO 0.12 -0.21 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.94 1nug s LEU 504 N 1.94 2.08 -0.01 -0.68 1.43 -0.81 -1.05 118.68 121.57 1nug s LEU 504 Ca 0.20 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1nug s LEU 504 Cb -0.15 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1nug s LEU 504 CO 0.09 0.27 -0.04 -0.75 0.23 0.00 0.00 176.35 176.15 1nug s LYS 505 N -0.72 0.37 -0.45 1.70 2.20 -0.76 -1.43 119.74 120.65 1nug s LYS 505 Ca 0.09 -0.11 -0.18 0.00 -0.36 0.00 0.00 55.97 55.41 1nug s LYS 505 Cb -0.09 -0.39 0.04 0.00 -1.51 0.00 0.00 37.83 35.88 1nug s LYS 505 CO -0.00 0.04 0.48 1.21 -0.36 0.00 0.00 175.35 176.73 1nug s ASN 506 N 0.15 6.20 0.00 1.43 2.47 -0.88 -2.39 114.94 121.91 1nug s ASN 506 Ca -0.01 -0.85 0.24 0.00 0.42 0.00 0.00 52.86 52.66 1nug s ASN 506 Cb -0.05 -2.24 0.95 0.00 -1.45 0.00 0.00 41.25 38.46 1nug s ASN 506 CO -0.00 -0.68 1.67 0.18 -3.72 0.00 0.00 177.10 174.54 1nug n LEU 507 N 5.69 1.37 -4.97 3.21 4.77 0.14 0.39 117.00 127.61 1nug n LEU 507 Ca -0.08 -0.53 -0.22 0.00 -0.03 0.00 0.00 56.01 55.15 1nug n LEU 507 Cb 0.46 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1nug n LEU 507 CO 0.49 0.27 0.42 -0.94 -1.33 0.00 0.00 177.39 176.29 1nug s SER 508 N -1.73 5.13 0.00 -1.43 1.04 -1.25 -4.86 113.70 110.59 1nug s SER 508 Ca 0.35 0.04 0.24 0.00 0.48 0.00 0.00 55.95 57.06 1nug s SER 508 Cb 0.18 -0.85 0.87 0.00 0.10 0.00 0.00 66.02 66.32 1nug s SER 508 CO 0.29 -1.27 1.63 0.54 0.98 0.00 0.00 173.24 175.41 1nug n ARG 509 N -2.47 1.72 -3.79 4.02 1.74 -1.26 -4.07 116.66 112.54 1nug n ARG 509 Ca 0.08 -1.07 -0.23 0.00 -0.77 0.00 0.00 57.85 55.87 1nug n ARG 509 Cb 0.60 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.56 1nug n ARG 509 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1nug s ASP 510 N -1.76 4.79 -0.32 0.55 -0.00 -1.26 -4.77 116.67 113.89 1nug s ASP 510 Ca 0.35 -0.92 -0.15 0.00 -0.00 0.00 0.00 52.55 51.83 1nug s ASP 510 Cb 0.19 -0.43 -0.02 0.00 -0.00 0.00 0.00 42.92 42.67 1nug s ASP 510 CO 0.30 -0.67 0.38 -0.89 -0.00 0.00 0.00 175.17 174.29 1nug s THR 511 N -2.55 5.15 -0.01 -1.27 2.01 -1.26 -3.49 115.64 114.23 1nug s THR 511 Ca 0.44 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.65 1nug s THR 511 Cb -0.01 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1nug s THR 511 CO 0.25 -0.04 0.07 -0.54 -0.69 0.00 0.00 174.62 173.67 1nug s LYS 512 N 2.07 3.02 -0.27 4.92 -0.14 -0.24 -4.92 119.74 124.18 1nug s LYS 512 Ca 0.13 -0.50 -0.06 0.00 -1.36 0.00 0.00 55.97 54.18 1nug s LYS 512 Cb -0.16 -2.83 0.00 0.00 -1.68 0.00 0.00 37.83 33.16 1nug s LYS 512 CO 0.11 0.65 0.04 0.99 -0.76 0.00 0.00 175.35 176.38 1nug s THR 513 N -1.17 3.77 -0.22 2.17 2.01 -1.26 -0.53 115.64 120.41 1nug s THR 513 Ca 0.22 -0.63 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 1nug s THR 513 Cb -0.12 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1nug s THR 513 CO 0.13 0.19 0.07 -0.69 -0.69 0.00 0.00 174.62 173.63 1nug s VAL 514 N 1.49 4.60 -0.14 3.82 1.01 0.35 -4.47 120.40 127.06 1nug s VAL 514 Ca 0.03 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 1nug s VAL 514 Cb -0.16 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1nug s VAL 514 CO 0.01 0.40 0.44 -0.89 0.00 0.00 0.00 175.10 175.05 1nug s THR 515 N 0.97 5.21 -0.09 3.92 2.01 -0.63 -1.03 115.64 126.00 1nug s THR 515 Ca 0.04 0.86 0.02 0.00 0.31 0.00 0.00 61.69 62.92 1nug s THR 515 Cb -0.14 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.61 1nug s THR 515 CO 0.03 0.33 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.45 1nug s VAL 516 N 0.68 1.40 -0.15 3.82 1.01 0.24 -1.51 120.40 125.90 1nug s VAL 516 Ca 0.24 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1nug s VAL 516 Cb -0.15 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 34.97 1nug s VAL 516 CO 0.09 0.42 -0.18 0.20 0.00 0.00 0.00 175.10 175.62 1nug s ASN 517 N 0.78 3.38 0.14 3.32 0.01 -0.29 -0.96 114.94 121.32 1nug s ASN 517 Ca -0.11 -0.55 0.09 0.00 -0.71 0.00 0.00 52.86 51.57 1nug s ASN 517 Cb -0.16 -1.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.96 1nug s ASN 517 CO 0.02 0.07 -0.20 -0.04 -1.51 0.00 0.00 177.10 175.44 1nug s MET 518 N 0.90 1.23 0.08 -0.60 -1.94 0.48 -0.39 119.30 119.07 1nug s MET 518 Ca -0.04 -1.32 -0.08 0.00 -1.71 0.00 0.00 55.69 52.54 1nug s MET 518 Cb -0.15 -1.39 -0.01 0.00 2.01 0.00 0.00 34.83 35.30 1nug s MET 518 CO -0.03 0.30 0.17 0.95 -0.01 0.00 0.00 175.02 176.40 1nug s THR 519 N -1.69 0.15 -0.05 2.05 -4.23 -0.52 -1.69 115.64 109.67 1nug s THR 519 Ca 0.12 -1.23 -0.02 0.00 -1.18 0.00 0.00 61.69 59.39 1nug s THR 519 Cb -0.07 -1.33 0.03 0.00 1.34 0.00 0.00 72.50 72.47 1nug s THR 519 CO 0.06 -0.68 0.06 0.00 -0.54 0.00 0.00 174.62 173.52 1nug s ALA 520 N -3.77 0.28 0.01 3.99 0.00 0.11 -1.41 121.76 120.98 1nug s ALA 520 Ca 0.04 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.23 1nug s ALA 520 Cb 0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 1nug s ALA 520 CO -0.10 -0.50 -0.24 -1.58 0.00 0.00 0.00 175.76 173.33 1nug s TRP 521 N 2.15 2.15 0.24 0.00 0.52 -0.04 -0.33 118.94 123.63 1nug s TRP 521 Ca 0.05 -0.40 -0.23 0.00 0.02 0.00 0.00 56.10 55.54 1nug s TRP 521 Cb -0.12 -1.33 -0.09 0.00 -1.15 0.00 0.00 33.47 30.78 1nug s TRP 521 CO -0.03 0.04 0.80 0.95 0.02 0.00 0.00 176.95 178.73 1nug s THR 522 N -0.69 4.41 0.26 2.01 -4.23 -0.18 0.15 115.64 117.37 1nug s THR 522 Ca 0.10 1.56 0.02 0.00 -1.18 0.00 0.00 61.69 62.18 1nug s THR 522 Cb -0.09 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.73 1nug s THR 522 CO 0.01 0.27 0.17 0.27 -0.54 0.00 0.00 174.62 174.80 1nug s ILE 523 N -1.45 0.11 0.00 2.99 -4.36 -0.96 -1.18 121.20 116.35 1nug s ILE 523 Ca 0.43 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1nug s ILE 523 Cb -0.19 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 1nug s ILE 523 CO 0.23 0.00 0.10 -0.63 0.24 0.00 0.00 174.94 174.89 1nug s ILE 524 N -3.84 4.87 0.57 8.37 -1.09 -0.78 -4.39 121.20 124.90 1nug s ILE 524 Ca 0.39 -0.38 0.37 0.00 -2.23 0.00 0.00 60.65 58.79 1nug s ILE 524 Cb 0.06 -3.25 0.54 0.00 -1.58 0.00 0.00 42.46 38.23 1nug s ILE 524 CO 0.17 0.33 1.65 0.10 -1.23 0.00 0.00 174.94 175.96 1nug h TYR 525 N 3.98 0.00 0.00 3.97 -0.00 -1.93 0.48 116.97 123.46 1nug h TYR 525 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.24 1nug h TYR 525 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 1nug h TYR 525 CO 0.64 0.00 0.00 -2.95 -0.00 0.00 0.00 178.16 175.85 1nug h ASN 526 N 0.00 0.00 0.00 0.10 -0.00 -1.94 -1.35 115.58 112.39 1nug h ASN 526 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.89 1nug h ASN 526 Cb 2.62 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.94 1nug h ASN 526 CO -0.01 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.03 1nug n GLY 527 N 0.55 1.04 3.63 9.14 0.00 0.17 -3.85 105.19 115.88 1nug n GLY 527 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1nug n GLY 527 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nug n THR 528 N -0.41 0.57 -2.33 2.61 -1.04 -1.21 -4.06 114.28 108.41 1nug n THR 528 Ca 0.00 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.05 61.35 1nug n THR 528 Cb 0.00 -2.28 -0.03 0.00 -1.82 0.00 0.00 70.33 66.20 1nug n THR 528 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1nug s LEU 529 N 5.81 4.37 -0.03 -4.42 1.43 -1.26 -1.87 118.68 122.71 1nug s LEU 529 Ca 0.95 2.12 -0.04 0.00 -1.03 0.00 0.00 54.13 56.13 1nug s LEU 529 Cb -0.48 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.15 1nug s LEU 529 CO 0.42 -0.54 -0.08 0.52 0.23 0.00 0.00 176.35 176.90 1nug n VAL 530 N 3.96 0.41 -3.63 -1.59 0.31 -0.32 -4.99 118.33 112.47 1nug n VAL 530 Ca 0.10 0.34 -0.15 0.00 -0.01 0.00 0.00 64.34 64.62 1nug n VAL 530 Cb 0.45 -1.62 -0.07 0.00 -0.91 0.00 0.00 33.84 31.68 1nug n VAL 530 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1nug s HIS 531 N -1.49 -0.58 0.14 3.52 2.46 -1.22 -4.97 115.29 113.14 1nug s HIS 531 Ca -0.07 1.22 -0.30 0.00 0.47 0.00 0.00 55.06 56.38 1nug s HIS 531 Cb 0.01 0.27 -0.07 0.00 -0.13 0.00 0.00 32.58 32.66 1nug s HIS 531 CO 0.10 -0.44 1.11 -2.00 -2.47 0.00 0.00 174.74 171.04 1nug s GLU 532 N -0.50 4.55 0.00 2.88 2.12 -1.26 -1.01 118.70 125.47 1nug s GLU 532 Ca -0.06 1.71 0.00 0.00 0.36 0.00 0.00 54.97 56.98 1nug s GLU 532 Cb -0.03 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1nug s GLU 532 CO 0.05 -0.01 0.12 1.33 -0.54 0.00 0.00 175.26 176.20 1nug n VAL 533 N 2.85 0.00 -3.60 3.70 0.24 0.55 -4.94 118.33 117.12 1nug n VAL 533 Ca 0.04 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.34 61.79 1nug n VAL 533 Cb 0.47 1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 33.81 1nug n VAL 533 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1nug s TRP 534 N -0.63 -0.55 0.09 6.34 -0.00 -1.12 -4.73 118.94 118.34 1nug s TRP 534 Ca 0.00 1.18 -0.20 0.00 -0.00 0.00 0.00 56.10 57.08 1nug s TRP 534 Cb 0.00 0.37 0.05 0.00 -0.00 0.00 0.00 33.47 33.89 1nug s TRP 534 CO 0.00 -0.36 0.50 -1.59 -0.00 0.00 0.00 176.95 175.50 1nug s LYS 535 N -0.33 1.09 -0.24 5.86 -2.85 -1.26 0.10 119.74 122.10 1nug s LYS 535 Ca -0.01 -0.43 -0.32 0.00 -1.00 0.00 0.00 55.97 54.21 1nug s LYS 535 Cb -0.03 0.49 0.16 0.00 -2.06 0.00 0.00 37.83 36.40 1nug s LYS 535 CO 0.00 -0.42 1.26 0.34 0.10 0.00 0.00 175.35 176.63 1nug s ASP 536 N -2.37 -0.12 0.17 0.03 2.15 -0.68 -4.97 116.67 110.87 1nug s ASP 536 Ca -0.02 0.09 0.08 0.00 0.43 0.00 0.00 52.55 53.13 1nug s ASP 536 Cb 0.00 0.11 -0.04 0.00 -0.30 0.00 0.00 42.92 42.68 1nug s ASP 536 CO -0.07 -0.14 -0.16 -0.44 -0.17 0.00 0.00 175.17 174.19 1nug s SER 537 N -1.39 2.46 -0.12 -0.34 0.01 -1.26 -0.39 113.70 112.66 1nug s SER 537 Ca 0.07 -0.91 -0.30 0.00 1.31 0.00 0.00 55.95 56.13 1nug s SER 537 Cb -0.01 -0.12 0.12 0.00 0.21 0.00 0.00 66.02 66.22 1nug s SER 537 CO -0.05 -0.11 0.97 0.00 0.41 0.00 0.00 173.24 174.46 1nug s ALA 538 N -2.41 -1.91 -0.12 1.44 0.00 -0.13 -4.99 121.76 113.63 1nug s ALA 538 Ca 0.16 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.59 1nug s ALA 538 Cb -0.04 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1nug s ALA 538 CO 0.06 -0.41 -0.14 0.95 0.00 0.00 0.00 175.76 176.22 1nug s THR 539 N -1.61 1.49 -0.04 0.00 -4.23 -1.26 0.81 115.64 110.81 1nug s THR 539 Ca -0.00 -0.61 0.05 0.00 -1.18 0.00 0.00 61.69 59.95 1nug s THR 539 Cb -0.01 -1.38 -0.01 0.00 1.34 0.00 0.00 72.50 72.45 1nug s THR 539 CO -0.01 0.44 -0.19 0.00 -0.54 0.00 0.00 174.62 174.32 1nug s MET 540 N 1.20 1.91 -0.05 3.99 0.23 -0.20 -4.93 119.30 121.45 1nug s MET 540 Ca -0.02 -0.69 -0.14 0.00 -1.03 0.00 0.00 55.69 53.82 1nug s MET 540 Cb -0.14 -1.68 -0.05 0.00 -1.53 0.00 0.00 34.83 31.43 1nug s MET 540 CO -0.05 0.30 0.36 0.45 -2.03 0.00 0.00 175.02 174.05 1nug s SER 541 N -0.09 6.69 -0.05 -1.18 0.15 -1.26 -0.50 113.70 117.47 1nug s SER 541 Ca -0.02 0.82 0.01 0.00 0.70 0.00 0.00 55.95 57.47 1nug s SER 541 Cb -0.11 -2.22 0.02 0.00 -1.71 0.00 0.00 66.02 62.00 1nug s SER 541 CO 0.02 0.29 -0.05 -0.76 1.20 0.00 0.00 173.24 173.94 1nug s LEU 542 N -0.76 1.34 0.64 3.45 1.43 0.31 -5.00 118.68 120.09 1nug s LEU 542 Ca 0.22 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1nug s LEU 542 Cb -0.15 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.60 1nug s LEU 542 CO 0.11 -0.05 0.98 -1.81 0.23 0.00 0.00 176.35 175.80 1nug s ASP 543 N 0.92 5.48 0.06 2.29 1.01 -1.26 -1.08 116.67 124.09 1nug s ASP 543 Ca -0.11 0.84 -0.37 0.00 0.71 0.00 0.00 52.55 53.62 1nug s ASP 543 Cb -0.14 -1.74 -0.17 0.00 1.01 0.00 0.00 42.92 41.88 1nug s ASP 543 CO 0.00 -1.20 1.37 -2.65 0.21 0.00 0.00 175.17 172.90 1nug n PRO 544 N -2.75 1.13 -0.83 8.23 -0.02 -1.23 -0.82 135.00 138.71 1nug n PRO 544 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1nug n PRO 544 Cb 0.58 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1nug n PRO 544 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1nug n GLU 545 N 2.73 -0.51 -2.40 -0.52 4.07 0.16 -4.98 120.64 119.19 1nug n GLU 545 Ca 0.19 0.13 -0.37 0.00 -0.06 0.00 0.00 57.16 57.04 1nug n GLU 545 Cb 0.18 -3.92 -0.03 0.00 -0.06 0.00 0.00 31.44 27.62 1nug n GLU 545 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1nug s GLU 546 N -0.86 4.08 -0.10 5.31 2.12 0.00 -4.73 118.70 124.52 1nug s GLU 546 Ca 0.00 1.69 0.03 0.00 0.36 0.00 0.00 54.97 57.05 1nug s GLU 546 Cb 0.00 -2.61 -0.01 0.00 0.26 0.00 0.00 34.13 31.78 1nug s GLU 546 CO 0.00 -0.25 -0.21 -1.21 -0.54 0.00 0.00 175.26 173.04 1nug s GLU 547 N -2.39 3.07 0.15 4.30 2.02 -1.26 -2.08 118.70 122.51 1nug s GLU 547 Ca 0.58 -0.83 0.05 0.00 0.02 0.00 0.00 54.97 54.79 1nug s GLU 547 Cb -0.27 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 1nug s GLU 547 CO 0.34 0.22 -0.11 0.00 0.02 0.00 0.00 175.26 175.72 1nug s ALA 548 N 0.27 1.52 -0.06 5.21 0.00 -0.51 -5.00 121.76 123.18 1nug s ALA 548 Ca -0.15 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.36 1nug s ALA 548 Cb -0.17 0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1nug s ALA 548 CO 0.07 -0.04 -0.14 -1.21 0.00 0.00 0.00 175.76 174.44 1nug s GLU 549 N -3.54 1.80 -0.30 0.00 2.02 -1.26 -1.92 118.70 115.50 1nug s GLU 549 Ca 0.16 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1nug s GLU 549 Cb 0.01 -1.48 0.06 0.00 0.10 0.00 0.00 34.13 32.82 1nug s GLU 549 CO 0.02 0.07 -0.01 -1.58 0.02 0.00 0.00 175.26 173.78 1nug s HIS 550 N 0.55 3.34 0.33 1.61 5.65 -0.86 -4.93 115.29 120.98 1nug s HIS 550 Ca -0.13 -2.16 -0.29 0.00 0.25 0.00 0.00 55.06 52.72 1nug s HIS 550 Cb -0.15 -2.24 -0.11 0.00 -1.18 0.00 0.00 32.58 28.89 1nug s HIS 550 CO 0.04 -0.86 1.55 -2.14 -0.65 0.00 0.00 174.74 172.69 1nug s PRO 551 N 1.17 4.11 -0.23 2.88 0.02 -1.26 -1.88 135.00 139.81 1nug s PRO 551 Ca -0.03 2.58 0.01 0.00 0.02 0.00 0.00 61.00 63.58 1nug s PRO 551 Cb -0.20 -3.00 0.06 0.00 0.02 0.00 0.00 34.50 31.38 1nug s PRO 551 CO -0.03 -0.60 -0.07 0.42 -0.33 0.00 0.00 177.00 176.39 1nug s ILE 552 N -0.45 1.64 -0.20 2.83 1.01 0.06 -4.95 121.20 121.14 1nug s ILE 552 Ca 0.59 -1.24 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 1nug s ILE 552 Cb -0.47 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.16 1nug s ILE 552 CO 0.54 -0.05 -0.15 -0.75 0.00 0.00 0.00 174.94 174.53 1nug s LYS 553 N 1.35 3.06 -0.21 2.79 2.20 -1.26 -0.36 119.74 127.31 1nug s LYS 553 Ca -0.06 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 54.77 1nug s LYS 553 Cb -0.19 -2.71 0.04 0.00 -1.51 0.00 0.00 37.83 33.46 1nug s LYS 553 CO -0.06 -0.23 -0.16 0.42 -0.36 0.00 0.00 175.35 174.96 1nug s ILE 554 N 1.33 2.09 0.65 5.43 1.01 0.13 -4.96 121.20 126.89 1nug s ILE 554 Ca 0.05 -1.24 -0.13 0.00 0.00 0.00 0.00 60.65 59.32 1nug s ILE 554 Cb -0.14 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 1nug s ILE 554 CO -0.10 0.28 1.07 -0.94 0.00 0.00 0.00 174.94 175.25 1nug s SER 555 N 1.21 5.45 0.27 3.58 1.04 -1.26 0.59 113.70 124.58 1nug s SER 555 Ca -0.01 1.77 -0.04 0.00 0.48 0.00 0.00 55.95 58.14 1nug s SER 555 Cb -0.16 -2.52 0.35 0.00 0.10 0.00 0.00 66.02 63.78 1nug s SER 555 CO -0.09 -1.40 1.94 0.22 0.98 0.00 0.00 173.24 174.89 1nug h TYR 556 N -0.16 1.18 -1.00 5.02 3.20 -1.87 -1.63 116.97 121.71 1nug h TYR 556 Ca -0.45 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.47 1nug h TYR 556 Cb 1.22 -0.40 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 1nug h TYR 556 CO 0.59 0.73 0.65 0.00 -1.64 0.00 0.00 178.16 178.49 1nug h ALA 557 N 1.42 1.30 -0.59 1.82 0.00 -1.95 0.96 119.26 122.23 1nug h ALA 557 Ca 0.36 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1nug h ALA 557 Cb -0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 1nug h ALA 557 CO -0.09 0.58 0.12 1.96 0.00 0.00 0.00 179.25 181.82 1nug h GLN 558 N 1.29 0.97 0.00 0.00 4.20 -1.65 -3.35 115.11 116.57 1nug h GLN 558 Ca 0.39 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1nug h GLN 558 Cb -0.05 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 1nug h GLN 558 CO -0.11 0.91 -1.98 2.48 -0.67 0.00 0.00 178.83 179.46 1nug n TYR 559 N -4.33 0.00 -0.22 2.96 0.18 -1.10 -4.55 117.16 110.10 1nug n TYR 559 Ca 0.03 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.94 1nug n TYR 559 Cb 0.26 -0.50 0.43 0.00 -0.38 0.00 0.00 39.34 39.16 1nug n TYR 559 CO 0.00 0.00 0.00 1.05 -2.08 0.00 0.00 176.86 175.83 1nug h GLU 560 N 0.00 0.55 0.00 -3.48 -0.00 -0.94 0.58 114.58 111.29 1nug h GLU 560 Ca -0.01 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.36 59.28 1nug h GLU 560 Cb 1.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 29.62 1nug h GLU 560 CO 0.00 0.37 -0.17 -0.09 -0.00 0.00 0.00 179.01 179.12 1nug h ARG 561 N 0.57 0.00 -0.00 1.06 2.43 -1.80 -3.31 114.38 113.32 1nug h ARG 561 Ca 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1nug h ARG 561 Cb 0.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1nug h ARG 561 CO -0.17 0.17 -0.13 0.66 -1.51 0.00 0.00 179.97 178.99 1nug n TYR 562 N -3.23 0.00 -2.53 2.20 4.02 -0.53 -5.01 117.16 112.09 1nug n TYR 562 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.49 1nug n TYR 562 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.76 1nug n TYR 562 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1nug s LEU 563 N -1.37 4.43 0.58 7.72 2.96 0.08 -4.75 118.68 128.34 1nug s LEU 563 Ca 0.05 1.98 0.09 0.00 -0.22 0.00 0.00 54.13 56.03 1nug s LEU 563 Cb 0.05 -3.59 0.08 0.00 0.50 0.00 0.00 46.19 43.24 1nug s LEU 563 CO 0.16 -0.30 0.73 -0.54 -1.32 0.00 0.00 176.35 175.08 1nug s LYS 564 N 0.34 2.25 0.14 1.98 -0.14 -1.26 -4.96 119.74 118.09 1nug s LYS 564 Ca 0.53 -1.76 0.09 0.00 -1.36 0.00 0.00 55.97 53.46 1nug s LYS 564 Cb -0.28 -2.52 0.48 0.00 -1.68 0.00 0.00 37.83 33.83 1nug s LYS 564 CO 0.32 -0.87 1.24 -1.13 -0.76 0.00 0.00 175.35 174.15 1nug n SER 565 N -2.18 0.23 0.16 2.83 3.41 -1.26 -0.51 113.62 116.30 1nug n SER 565 Ca 0.13 0.58 0.04 0.00 -0.26 0.00 0.00 58.87 59.35 1nug n SER 565 Cb 0.62 -0.61 0.22 0.00 -0.26 0.00 0.00 64.21 64.19 1nug n SER 565 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1nug h ASP 566 N 0.00 0.00 -5.24 4.04 3.32 -1.94 -3.47 116.42 113.13 1nug h ASP 566 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 1nug h ASP 566 Cb 0.07 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.73 1nug h ASP 566 CO 0.00 0.47 -0.65 0.59 -1.72 0.00 0.00 179.24 177.93 1nug n ASN 567 N -3.46 -6.30 -4.47 6.45 5.03 0.33 -4.77 115.26 108.08 1nug n ASN 567 Ca 0.00 -0.43 -0.29 0.00 0.87 0.00 0.00 54.58 54.73 1nug n ASN 567 Cb 0.60 -5.01 -0.12 0.00 -1.02 0.00 0.00 39.78 34.24 1nug n ASN 567 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1nug s MET 568 N -6.05 1.70 -0.01 3.52 -1.94 -1.26 -0.40 119.30 114.87 1nug s MET 568 Ca 0.46 -1.22 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 1nug s MET 568 Cb -0.20 -2.07 0.01 0.00 2.01 0.00 0.00 34.83 34.58 1nug s MET 568 CO 0.57 0.47 0.00 0.42 -0.01 0.00 0.00 175.02 176.48 1nug s ILE 569 N -1.14 0.07 -0.28 2.53 1.01 -0.90 -2.26 121.20 120.23 1nug s ILE 569 Ca 0.17 0.05 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 1nug s ILE 569 Cb -0.10 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 1nug s ILE 569 CO 0.09 0.06 0.37 -0.60 0.00 0.00 0.00 174.94 174.86 1nug s ARG 570 N 0.46 3.96 -0.17 2.79 6.06 0.40 -1.20 118.95 131.25 1nug s ARG 570 Ca -0.04 -0.03 -0.05 0.00 -2.50 0.00 0.00 55.73 53.11 1nug s ARG 570 Cb -0.06 -3.67 -0.03 0.00 0.06 0.00 0.00 34.95 31.24 1nug s ARG 570 CO -0.01 -0.30 -0.01 0.42 -2.50 0.00 0.00 175.30 172.89 1nug s ILE 571 N 2.06 4.12 0.02 4.11 -1.09 -0.23 -0.86 121.20 129.33 1nug s ILE 571 Ca 0.14 -0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 1nug s ILE 571 Cb -0.16 -2.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.88 1nug s ILE 571 CO 0.10 0.48 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.34 1nug s THR 572 N 0.41 0.49 -0.13 2.92 2.01 -0.50 -2.08 115.64 118.76 1nug s THR 572 Ca -0.02 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 1nug s THR 572 Cb -0.14 -0.48 0.05 0.00 0.01 0.00 0.00 72.50 71.94 1nug s THR 572 CO 0.02 -0.11 0.07 0.00 -0.69 0.00 0.00 174.62 173.91 1nug s ALA 573 N -0.70 0.48 -0.32 7.40 0.00 -0.87 -1.44 121.76 126.31 1nug s ALA 573 Ca -0.03 -0.23 -0.13 0.00 0.00 0.00 0.00 51.96 51.58 1nug s ALA 573 Cb -0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 1nug s ALA 573 CO 0.00 -0.95 0.24 0.08 0.00 0.00 0.00 175.76 175.13 1nug s VAL 574 N 2.09 5.28 0.11 0.00 1.01 0.47 -1.60 120.40 127.77 1nug s VAL 574 Ca 0.03 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1nug s VAL 574 Cb -0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1nug s VAL 574 CO -0.07 0.06 -0.21 0.00 0.00 0.00 0.00 175.10 174.88 1nug s LYS 576 N -2.02 0.87 0.10 0.00 2.20 -0.57 0.39 119.74 120.72 1nug s LYS 576 Ca 0.16 0.13 0.09 0.00 -0.36 0.00 0.00 55.97 55.99 1nug s LYS 576 Cb -0.10 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.58 1nug s LYS 576 CO 0.08 -0.25 -0.22 0.14 -0.36 0.00 0.00 175.35 174.74 1nug s VAL 577 N -1.10 1.84 0.25 4.02 -7.23 -1.26 -1.61 120.40 115.31 1nug s VAL 577 Ca -0.11 -1.57 -0.28 0.00 -1.81 0.00 0.00 61.98 58.21 1nug s VAL 577 Cb -0.02 -1.65 -0.15 0.00 0.56 0.00 0.00 36.38 35.11 1nug s VAL 577 CO 0.07 -0.00 0.84 -2.65 -0.31 0.00 0.00 175.10 173.04 1nug n PRO 578 N 1.11 0.85 -1.39 4.82 -0.02 -1.26 -1.88 135.00 137.21 1nug n PRO 578 Ca -0.19 0.30 -0.14 0.00 -2.02 0.00 0.00 63.50 61.45 1nug n PRO 578 Cb 0.53 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.42 1nug n PRO 578 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1nug n ASP 579 N 1.53 -5.39 -4.09 2.55 2.03 -1.26 -4.98 116.55 106.95 1nug n ASP 579 Ca 0.13 0.34 -0.17 0.00 0.52 0.00 0.00 54.79 55.60 1nug n ASP 579 Cb 0.29 -4.08 -0.13 0.00 -0.72 0.00 0.00 41.12 36.48 1nug n ASP 579 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1nug s GLU 580 N -3.09 0.73 0.57 -0.67 2.02 -0.79 -5.13 118.70 112.35 1nug s GLU 580 Ca 0.00 -0.64 -0.21 0.00 0.02 0.00 0.00 54.97 54.14 1nug s GLU 580 Cb 0.00 -0.67 -0.04 0.00 0.10 0.00 0.00 34.13 33.52 1nug s GLU 580 CO 0.00 0.16 1.34 -1.12 0.02 0.00 0.00 175.26 175.66 1nug s SER 581 N -1.04 5.09 0.65 -0.19 0.01 -1.26 -4.44 113.70 112.53 1nug s SER 581 Ca -0.01 2.72 -0.18 0.00 1.31 0.00 0.00 55.95 59.79 1nug s SER 581 Cb -0.07 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 1nug s SER 581 CO 0.01 -1.68 1.06 -0.62 0.41 0.00 0.00 173.24 172.41 1nug n GLU 582 N -1.27 0.85 -4.03 12.44 4.71 -1.26 -4.77 120.64 127.31 1nug n GLU 582 Ca 0.12 0.34 -0.34 0.00 -0.01 0.00 0.00 57.16 57.27 1nug n GLU 582 Cb 0.46 -2.28 -0.15 0.00 -1.01 0.00 0.00 31.44 28.45 1nug n GLU 582 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1nug s VAL 583 N -1.55 2.68 -0.24 2.62 1.01 0.16 -4.97 120.40 120.11 1nug s VAL 583 Ca 0.78 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.95 1nug s VAL 583 Cb -0.39 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1nug s VAL 583 CO 0.45 0.48 0.10 -0.69 0.00 0.00 0.00 175.10 175.45 1nug s VAL 584 N 1.37 4.69 -0.18 2.92 1.01 -1.26 -0.87 120.40 128.09 1nug s VAL 584 Ca 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 1nug s VAL 584 Cb -0.14 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1nug s VAL 584 CO -0.08 0.34 -0.04 -0.69 0.00 0.00 0.00 175.10 174.63 1nug s VAL 585 N 1.37 3.68 0.07 2.92 1.01 -0.63 -5.01 120.40 123.81 1nug s VAL 585 Ca 0.06 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1nug s VAL 585 Cb -0.15 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1nug s VAL 585 CO 0.05 0.47 -0.23 -1.61 0.00 0.00 0.00 175.10 173.77 1nug s GLU 586 N 0.74 1.47 -0.30 2.72 2.02 -1.26 -2.04 118.70 122.04 1nug s GLU 586 Ca -0.02 -1.09 -0.11 0.00 0.02 0.00 0.00 54.97 53.77 1nug s GLU 586 Cb -0.15 -1.68 0.15 0.00 0.10 0.00 0.00 34.13 32.56 1nug s GLU 586 CO 0.02 0.42 0.80 0.50 0.02 0.00 0.00 175.26 177.02 1nug s ARG 587 N -1.45 0.45 -0.18 1.61 6.06 -0.88 -4.79 118.95 119.77 1nug s ARG 587 Ca 0.09 1.06 -0.14 0.00 -2.50 0.00 0.00 55.73 54.25 1nug s ARG 587 Cb -0.10 0.63 -0.04 0.00 0.06 0.00 0.00 34.95 35.50 1nug s ARG 587 CO 0.03 -0.22 0.30 -0.51 -2.50 0.00 0.00 175.30 172.40 1nug s ASP 588 N 2.73 6.39 0.16 -2.12 1.01 -1.26 -1.06 116.67 122.52 1nug s ASP 588 Ca -0.01 0.45 0.07 0.00 0.71 0.00 0.00 52.55 53.77 1nug s ASP 588 Cb -0.10 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 1nug s ASP 588 CO -0.18 0.05 -0.02 0.27 0.21 0.00 0.00 175.17 175.50 1nug s ILE 589 N 0.76 3.64 -0.14 0.77 -4.36 -0.34 -4.97 121.20 116.56 1nug s ILE 589 Ca 0.16 -1.41 0.02 0.00 -0.26 0.00 0.00 60.65 59.16 1nug s ILE 589 Cb -0.13 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 40.78 1nug s ILE 589 CO 0.05 -0.07 -0.20 -0.63 0.24 0.00 0.00 174.94 174.32 1nug s ILE 590 N -1.65 1.91 -0.15 8.37 1.01 -1.26 -2.11 121.20 127.32 1nug s ILE 590 Ca 0.26 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.89 1nug s ILE 590 Cb -0.10 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 1nug s ILE 590 CO 0.18 0.52 0.31 -0.76 0.00 0.00 0.00 174.94 175.19 1nug s LEU 591 N 0.91 4.25 0.37 2.97 1.02 0.47 -4.83 118.68 123.85 1nug s LEU 591 Ca -0.06 0.55 -0.26 0.00 0.02 0.00 0.00 54.13 54.38 1nug s LEU 591 Cb -0.15 -2.41 -0.09 0.00 0.02 0.00 0.00 46.19 43.56 1nug s LEU 591 CO -0.03 0.09 1.09 -1.81 0.02 0.00 0.00 176.35 175.71 1nug s ASP 592 N 0.47 6.80 0.67 2.29 1.01 -0.33 -4.58 116.67 122.99 1nug s ASP 592 Ca 0.18 2.18 -0.11 0.00 0.71 0.00 0.00 52.55 55.50 1nug s ASP 592 Cb -0.13 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.19 1nug s ASP 592 CO 0.05 -0.47 1.05 0.20 0.21 0.00 0.00 175.17 176.21 1nug s ASN 593 N -1.29 5.74 0.72 0.27 0.01 -1.26 -0.77 114.94 118.35 1nug s ASN 593 Ca 0.55 1.41 -0.14 0.00 -0.71 0.00 0.00 52.86 53.96 1nug s ASN 593 Cb -0.27 -2.35 0.03 0.00 0.41 0.00 0.00 41.25 39.07 1nug s ASN 593 CO 0.34 -1.18 1.16 -2.16 -1.51 0.00 0.00 177.10 173.74 1nug s PRO 594 N -5.17 2.34 0.40 -0.60 0.04 -1.26 -4.87 135.00 125.87 1nug s PRO 594 Ca 0.57 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 62.90 1nug s PRO 594 Cb -0.12 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 1nug s PRO 594 CO 0.54 -1.64 1.33 0.99 0.04 0.00 0.00 177.00 178.26 1nug s THR 595 N -2.23 2.54 -0.08 1.26 2.01 -1.26 -4.95 115.64 112.93 1nug s THR 595 Ca 0.70 0.49 0.04 0.00 0.31 0.00 0.00 61.69 63.24 1nug s THR 595 Cb -0.24 -3.30 -0.00 0.00 0.01 0.00 0.00 72.50 68.97 1nug s THR 595 CO 0.45 0.08 -0.23 -0.22 -0.69 0.00 0.00 174.62 174.02 1nug s LEU 596 N -2.34 2.03 0.04 4.42 2.96 -1.26 -4.40 118.68 120.13 1nug s LEU 596 Ca 0.56 -0.50 0.06 0.00 -0.22 0.00 0.00 54.13 54.02 1nug s LEU 596 Cb -0.39 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1nug s LEU 596 CO 0.51 0.17 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.65 1nug s THR 597 N 0.21 1.40 -0.06 3.68 2.01 -0.14 -4.72 115.64 118.02 1nug s THR 597 Ca -0.13 -1.10 0.05 0.00 0.31 0.00 0.00 61.69 60.82 1nug s THR 597 Cb -0.16 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 1nug s THR 597 CO 0.06 0.11 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.12 1nug s LEU 598 N -1.15 2.02 -0.01 4.42 1.43 -1.26 -0.30 118.68 123.83 1nug s LEU 598 Ca 0.05 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1nug s LEU 598 Cb -0.08 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.89 1nug s LEU 598 CO 0.02 0.21 -0.01 -1.61 0.23 0.00 0.00 176.35 175.18 1nug s GLU 599 N -0.03 0.16 -0.15 1.70 2.02 0.25 -4.94 118.70 117.71 1nug s GLU 599 Ca -0.06 -0.01 -0.15 0.00 0.02 0.00 0.00 54.97 54.78 1nug s GLU 599 Cb -0.14 -0.22 -0.05 0.00 0.10 0.00 0.00 34.13 33.83 1nug s GLU 599 CO 0.04 -0.02 0.33 0.08 0.02 0.00 0.00 175.26 175.71 1nug s VAL 600 N 0.30 5.27 -0.82 2.63 1.01 -1.26 0.41 120.40 127.95 1nug s VAL 600 Ca -0.03 0.64 0.12 0.00 0.00 0.00 0.00 61.98 62.71 1nug s VAL 600 Cb -0.05 -3.67 0.58 0.00 0.00 0.00 0.00 36.38 33.24 1nug s VAL 600 CO -0.01 0.38 1.43 0.18 0.00 0.00 0.00 175.10 177.08 1nug n LEU 601 N 3.53 4.16 -3.71 3.92 7.99 0.50 -4.96 117.00 128.43 1nug n LEU 601 Ca -0.11 -2.10 0.01 0.00 -0.01 0.00 0.00 56.01 53.80 1nug n LEU 601 Cb 0.52 -0.57 -0.00 0.00 -0.11 0.00 0.00 43.42 43.25 1nug n LEU 601 CO 0.40 0.58 1.01 0.54 -1.51 0.00 0.00 177.39 178.42 1nug s ASN 602 N -0.68 -0.06 0.22 -1.43 6.03 -1.26 -4.93 114.94 112.83 1nug s ASN 602 Ca 0.40 -0.21 -0.31 0.00 -1.03 0.00 0.00 52.86 51.71 1nug s ASN 602 Cb 0.28 0.22 -0.10 0.00 -3.03 0.00 0.00 41.25 38.62 1nug s ASN 602 CO 0.15 -0.42 1.51 -0.70 -2.03 0.00 0.00 177.10 175.61 1nug s GLU 603 N -2.46 4.23 -0.32 3.55 2.12 -1.26 -4.91 118.70 119.66 1nug s GLU 603 Ca 0.17 2.35 -0.19 0.00 0.36 0.00 0.00 54.97 57.66 1nug s GLU 603 Cb 0.03 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 1nug s GLU 603 CO -0.02 -0.52 0.54 0.00 -0.54 0.00 0.00 175.26 174.72 1nug s ALA 604 N 0.48 3.52 -0.02 6.30 0.00 -1.26 -4.95 121.76 125.83 1nug s ALA 604 Ca 0.64 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.84 1nug s ALA 604 Cb -0.43 -3.00 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1nug s ALA 604 CO 0.39 -1.06 -0.16 1.03 0.00 0.00 0.00 175.76 175.95 1nug s ARG 605 N 2.43 1.37 0.20 0.00 0.52 -1.26 -0.32 118.95 121.90 1nug s ARG 605 Ca 0.21 -0.59 -0.32 0.00 -0.52 0.00 0.00 55.73 54.51 1nug s ARG 605 Cb -0.15 -1.31 -0.14 0.00 0.52 0.00 0.00 34.95 33.86 1nug s ARG 605 CO 0.12 0.34 1.38 1.55 0.02 0.00 0.00 175.30 178.71 1nug n VAL 606 N 2.72 0.73 -0.89 3.52 3.14 0.03 -1.54 118.33 126.05 1nug n VAL 606 Ca -0.15 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1nug n VAL 606 Cb 0.54 -1.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.00 1nug n VAL 606 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1nug n ARG 607 N 2.22 -0.80 -4.66 1.45 1.74 0.30 -4.98 116.66 111.93 1nug n ARG 607 Ca 0.13 0.20 -0.33 0.00 -0.77 0.00 0.00 57.85 57.08 1nug n ARG 607 Cb 0.29 -4.06 -0.13 0.00 -1.02 0.00 0.00 32.46 27.53 1nug n ARG 607 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1nug s LYS 608 N -1.02 3.27 0.22 5.56 -0.14 -0.59 -4.95 119.74 122.10 1nug s LYS 608 Ca 0.00 -0.62 -0.32 0.00 -1.36 0.00 0.00 55.97 53.68 1nug s LYS 608 Cb 0.00 -2.68 -0.14 0.00 -1.68 0.00 0.00 37.83 33.33 1nug s LYS 608 CO 0.00 0.34 1.38 -2.30 -0.76 0.00 0.00 175.35 174.01 1nug n PRO 609 N 3.18 1.90 -4.61 -1.68 -0.02 -1.26 -4.25 135.00 128.26 1nug n PRO 609 Ca -0.18 0.68 -0.29 0.00 -2.02 0.00 0.00 63.50 61.69 1nug n PRO 609 Cb 0.53 -2.32 -0.17 0.00 -0.02 0.00 0.00 33.50 31.52 1nug n PRO 609 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nug s VAL 610 N -0.00 1.63 -0.05 -1.45 1.01 0.36 -4.92 120.40 116.97 1nug s VAL 610 Ca 0.70 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.67 1nug s VAL 610 Cb -0.69 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1nug s VAL 610 CO 0.49 0.47 0.89 0.20 0.00 0.00 0.00 175.10 177.15 1nug s ASN 611 N 0.83 7.21 0.22 3.32 0.01 -1.26 -0.57 114.94 124.69 1nug s ASN 611 Ca -0.09 1.47 0.08 0.00 -0.71 0.00 0.00 52.86 53.60 1nug s ASN 611 Cb -0.16 -2.51 -0.05 0.00 0.41 0.00 0.00 41.25 38.94 1nug s ASN 611 CO 0.00 -0.26 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.50 1nug s VAL 612 N 1.21 1.82 -0.02 1.60 1.01 -0.56 -0.37 120.40 125.10 1nug s VAL 612 Ca 0.46 -2.23 0.00 0.00 0.00 0.00 0.00 61.98 60.21 1nug s VAL 612 Cb -0.19 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.11 1nug s VAL 612 CO 0.22 -0.56 0.00 -1.58 0.00 0.00 0.00 175.10 173.19 1nug s GLN 613 N -3.63 0.13 -0.14 2.72 0.74 0.17 -2.96 119.66 116.69 1nug s GLN 613 Ca 0.24 0.07 -0.05 0.00 0.05 0.00 0.00 55.36 55.67 1nug s GLN 613 Cb -0.01 -0.28 -0.04 0.00 1.10 0.00 0.00 33.01 33.78 1nug s GLN 613 CO 0.08 -0.09 0.03 1.41 -0.55 0.00 0.00 175.29 176.18 1nug s MET 614 N 0.67 3.52 -0.04 1.67 -2.45 0.11 -0.58 119.30 122.20 1nug s MET 614 Ca -0.06 -0.37 0.03 0.00 -1.25 0.00 0.00 55.69 54.04 1nug s MET 614 Cb -0.09 -3.01 0.00 0.00 1.25 0.00 0.00 34.83 32.98 1nug s MET 614 CO -0.02 0.47 -0.12 -0.51 1.05 0.00 0.00 175.02 175.90 1nug s LEU 615 N -0.23 1.78 -0.20 4.11 1.43 0.60 -1.53 118.68 124.63 1nug s LEU 615 Ca 0.07 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.76 1nug s LEU 615 Cb -0.12 -0.75 0.06 0.00 0.03 0.00 0.00 46.19 45.41 1nug s LEU 615 CO 0.02 0.08 0.51 0.12 0.23 0.00 0.00 176.35 177.31 1nug s PHE 616 N 0.29 -0.67 -0.07 0.29 5.36 -0.86 -0.97 117.98 121.35 1nug s PHE 616 Ca -0.07 1.49 0.04 0.00 -0.96 0.00 0.00 56.93 57.43 1nug s PHE 616 Cb -0.12 0.30 -0.02 0.00 -0.34 0.00 0.00 43.02 42.85 1nug s PHE 616 CO 0.02 -0.35 -0.20 -1.12 -1.46 0.00 0.00 175.22 172.11 1nug s SER 617 N 0.95 3.50 -0.35 6.13 0.01 -1.26 0.15 113.70 122.81 1nug s SER 617 Ca -0.05 -0.40 -0.24 0.00 1.31 0.00 0.00 55.95 56.57 1nug s SER 617 Cb -0.06 -0.99 0.01 0.00 0.21 0.00 0.00 66.02 65.19 1nug s SER 617 CO -0.08 0.25 0.83 0.21 0.41 0.00 0.00 173.24 174.86 1nug s ASN 618 N -0.20 6.61 0.40 2.44 2.47 -0.33 -4.86 114.94 121.47 1nug s ASN 618 Ca -0.01 0.49 0.23 0.00 0.42 0.00 0.00 52.86 53.99 1nug s ASN 618 Cb -0.13 -2.42 0.34 0.00 -1.45 0.00 0.00 41.25 37.59 1nug s ASN 618 CO 0.03 -0.75 1.57 1.55 -3.72 0.00 0.00 177.10 175.78 1nug h PRO 619 N 8.40 0.00 -7.37 0.43 0.13 -1.94 -0.58 132.00 131.08 1nug h PRO 619 Ca -0.24 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.42 1nug h PRO 619 Cb 1.09 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.36 1nug h PRO 619 CO 0.93 0.00 0.24 -0.51 -0.23 0.00 0.00 178.00 178.43 1nug s LEU 620 N -6.00 2.05 0.00 1.56 1.43 -1.26 -4.71 118.68 111.74 1nug s LEU 620 Ca 0.07 1.32 0.25 0.00 -1.03 0.00 0.00 54.13 54.73 1nug s LEU 620 Cb 0.06 -3.67 0.61 0.00 0.03 0.00 0.00 46.19 43.22 1nug s LEU 620 CO 0.68 -2.73 1.49 0.47 0.23 0.00 0.00 176.35 176.49 1nug n ASP 621 N -3.92 2.33 -4.48 2.29 8.00 -1.26 -3.15 116.55 116.35 1nug n ASP 621 Ca 0.06 -1.78 -0.26 0.00 0.71 0.00 0.00 54.79 53.52 1nug n ASP 621 Cb 0.56 -0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.51 1nug n ASP 621 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1nug s GLU 622 N -1.91 1.72 0.78 -1.24 -1.05 -1.26 -4.75 118.70 110.99 1nug s GLU 622 Ca 0.34 -1.50 -0.11 0.00 -0.15 0.00 0.00 54.97 53.54 1nug s GLU 622 Cb 0.20 -1.92 0.06 0.00 -0.44 0.00 0.00 34.13 32.03 1nug s GLU 622 CO 0.31 0.39 1.10 -1.25 0.95 0.00 0.00 175.26 176.76 1nug s PRO 623 N -2.92 2.25 -0.10 -4.83 0.04 -1.26 -4.21 135.00 123.97 1nug s PRO 623 Ca 0.24 0.57 0.02 0.00 0.04 0.00 0.00 61.00 61.87 1nug s PRO 623 Cb -0.07 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1nug s PRO 623 CO 0.13 -1.49 -0.15 0.14 0.04 0.00 0.00 177.00 175.67 1nug s VAL 624 N -3.22 2.91 0.42 -0.36 -7.23 -0.40 -4.93 120.40 107.59 1nug s VAL 624 Ca 0.60 -0.73 0.06 0.00 -1.81 0.00 0.00 61.98 60.10 1nug s VAL 624 Cb -0.13 -2.18 -0.07 0.00 0.56 0.00 0.00 36.38 34.55 1nug s VAL 624 CO 0.53 0.55 0.01 -0.13 -0.31 0.00 0.00 175.10 175.75 1nug s ARG 625 N 0.03 1.99 -1.37 4.82 0.52 -1.26 -1.72 118.95 121.96 1nug s ARG 625 Ca -0.05 -2.15 -0.07 0.00 -0.52 0.00 0.00 55.73 52.94 1nug s ARG 625 Cb -0.15 -1.60 0.03 0.00 0.52 0.00 0.00 34.95 33.75 1nug s ARG 625 CO 0.04 -0.10 1.05 -0.25 0.02 0.00 0.00 175.30 176.06 1nug n ASP 626 N -1.01 -4.57 -4.71 0.23 8.00 -1.26 -1.08 116.55 112.15 1nug n ASP 626 Ca -0.07 -0.65 -0.42 0.00 0.71 0.00 0.00 54.79 54.36 1nug n ASP 626 Cb 0.67 -4.66 -0.03 0.00 -0.02 0.00 0.00 41.12 37.08 1nug n ASP 626 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nug s VAL 628 N 1.24 0.38 -0.14 0.00 1.01 0.22 -2.02 120.40 121.09 1nug s VAL 628 Ca 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 1nug s VAL 628 Cb -0.23 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1nug s VAL 628 CO 0.26 0.15 -0.06 -0.22 0.00 0.00 0.00 175.10 175.24 1nug s LEU 629 N 0.46 3.12 -0.21 3.92 0.20 0.07 -1.48 118.68 124.76 1nug s LEU 629 Ca -0.05 -0.16 0.01 0.00 0.69 0.00 0.00 54.13 54.62 1nug s LEU 629 Cb -0.09 -1.73 0.05 0.00 -0.43 0.00 0.00 46.19 43.99 1nug s LEU 629 CO -0.00 0.19 -0.10 -0.04 -0.29 0.00 0.00 176.35 176.10 1nug s MET 630 N 0.22 2.08 0.03 1.98 -1.94 0.20 -1.11 119.30 120.76 1nug s MET 630 Ca -0.04 -0.95 0.08 0.00 -1.71 0.00 0.00 55.69 53.07 1nug s MET 630 Cb -0.14 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.13 1nug s MET 630 CO 0.03 -0.46 -0.22 0.08 -0.01 0.00 0.00 175.02 174.45 1nug s VAL 631 N 1.33 2.48 0.16 -6.03 1.01 -0.58 0.03 120.40 118.80 1nug s VAL 631 Ca -0.03 -1.21 -0.24 0.00 0.00 0.00 0.00 61.98 60.50 1nug s VAL 631 Cb -0.17 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.28 1nug s VAL 631 CO -0.08 0.40 0.80 -1.83 0.00 0.00 0.00 175.10 174.39 1nug s GLU 632 N -1.20 1.31 0.00 2.72 -1.05 -0.49 -0.14 118.70 119.86 1nug s GLU 632 Ca 0.13 -0.64 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 1nug s GLU 632 Cb -0.10 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1nug s GLU 632 CO 0.03 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 176.06 1nug n GLY 633 N -0.40 1.11 3.67 -3.83 0.00 -1.26 -1.41 105.19 103.06 1nug n GLY 633 Ca -0.08 0.53 -0.46 0.00 0.00 0.00 0.00 46.02 46.01 1nug n GLY 633 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nug n SER 634 N 0.00 3.11 0.00 1.61 7.64 -1.26 -0.97 113.62 123.75 1nug n SER 634 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1nug n SER 634 Cb 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 1nug n SER 634 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nug n GLY 635 N 3.35 2.15 0.08 0.23 0.00 -1.26 -4.68 105.19 105.07 1nug n GLY 635 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1nug n GLY 635 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nug n LEU 636 N 0.00 2.39 -3.61 0.99 4.77 -0.15 -1.17 117.00 120.23 1nug n LEU 636 Ca 0.00 -0.07 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 1nug n LEU 636 Cb 0.00 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1nug n LEU 636 CO 0.00 0.68 0.27 -1.48 -1.33 0.00 0.00 177.39 175.53 1nug s LEU 637 N -5.73 -0.05 -0.32 2.23 2.34 -0.70 -2.46 118.68 113.99 1nug s LEU 637 Ca -0.18 0.37 -0.27 0.00 0.06 0.00 0.00 54.13 54.10 1nug s LEU 637 Cb 0.05 2.05 0.01 0.00 -0.56 0.00 0.00 46.19 47.74 1nug s LEU 637 CO 0.40 -0.60 0.98 -0.76 -1.06 0.00 0.00 176.35 175.30 1nug s LEU 638 N -1.47 3.99 0.00 1.48 1.43 -1.26 -4.46 118.68 118.38 1nug s LEU 638 Ca -0.10 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1nug s LEU 638 Cb -0.02 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1nug s LEU 638 CO 0.05 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 176.44 1nug n GLY 639 N 4.01 -0.13 3.57 -3.19 0.00 -1.26 -4.82 105.19 103.37 1nug n GLY 639 Ca 0.09 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 1nug n GLY 639 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nug s ASN 640 N -4.00 4.82 -0.25 1.61 2.47 -1.26 -4.42 114.94 113.91 1nug s ASN 640 Ca 0.00 -0.03 -0.09 0.00 0.42 0.00 0.00 52.86 53.16 1nug s ASN 640 Cb 0.00 -1.47 -0.04 0.00 -1.45 0.00 0.00 41.25 38.29 1nug s ASN 640 CO 0.00 0.29 0.14 -0.22 -3.72 0.00 0.00 177.10 173.59 1nug s LEU 641 N -0.37 3.85 -0.18 3.21 0.20 0.80 -4.95 118.68 121.24 1nug s LEU 641 Ca 0.06 -0.04 -0.03 0.00 0.69 0.00 0.00 54.13 54.82 1nug s LEU 641 Cb -0.12 -2.04 -0.01 0.00 -0.43 0.00 0.00 46.19 43.58 1nug s LEU 641 CO 0.02 -0.00 -0.07 -0.75 -0.29 0.00 0.00 176.35 175.26 1nug s LYS 642 N 1.45 3.44 -0.07 1.98 2.20 -1.26 -1.53 119.74 125.95 1nug s LYS 642 Ca 0.06 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 55.10 1nug s LYS 642 Cb -0.15 -2.88 -0.00 0.00 -1.51 0.00 0.00 37.83 33.29 1nug s LYS 642 CO 0.07 0.01 -0.20 0.42 -0.36 0.00 0.00 175.35 175.29 1nug s ILE 643 N 0.92 1.71 -0.46 5.43 1.01 -0.26 -4.98 121.20 124.57 1nug s ILE 643 Ca -0.01 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.61 1nug s ILE 643 Cb -0.15 -1.47 0.04 0.00 0.01 0.00 0.00 42.46 40.89 1nug s ILE 643 CO 0.01 0.48 0.54 -1.81 0.00 0.00 0.00 174.94 174.16 1nug s ASP 644 N 0.16 6.22 0.02 3.58 -0.00 -1.26 -0.75 116.67 124.64 1nug s ASP 644 Ca -0.09 -0.79 -0.15 0.00 -0.00 0.00 0.00 52.55 51.52 1nug s ASP 644 Cb -0.14 -2.26 -0.06 0.00 -0.00 0.00 0.00 42.92 40.46 1nug s ASP 644 CO 0.05 -0.74 0.43 0.54 -0.00 0.00 0.00 175.17 175.45 1nug s VAL 645 N 2.39 4.99 1.03 -1.27 0.11 -0.86 -5.02 120.40 121.77 1nug s VAL 645 Ca 0.14 0.87 -0.12 0.00 -2.93 0.00 0.00 61.98 59.94 1nug s VAL 645 Cb -0.18 -3.73 0.21 0.00 -1.53 0.00 0.00 36.38 31.14 1nug s VAL 645 CO 0.13 0.55 1.07 -2.84 -3.33 0.00 0.00 175.10 170.68 1nug s PRO 646 N -1.17 0.13 0.31 1.54 0.02 -1.26 -3.94 135.00 130.63 1nug s PRO 646 Ca 0.25 0.92 -0.29 0.00 0.02 0.00 0.00 61.00 61.90 1nug s PRO 646 Cb -0.17 -1.67 -0.13 0.00 0.02 0.00 0.00 34.50 32.56 1nug s PRO 646 CO 0.15 -3.04 1.36 2.41 -0.33 0.00 0.00 177.00 177.55 1nug n THR 647 N -4.45 1.58 -3.85 0.99 -1.04 -1.26 -4.78 114.28 101.47 1nug n THR 647 Ca 0.06 -0.39 -0.36 0.00 -2.04 0.00 0.00 64.05 61.32 1nug n THR 647 Cb 0.54 -1.60 -0.13 0.00 -1.82 0.00 0.00 70.33 67.32 1nug n THR 647 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1nug s LEU 648 N -0.66 3.19 1.00 -4.42 2.96 -0.70 -4.97 118.68 115.09 1nug s LEU 648 Ca 0.60 -0.43 -0.12 0.00 -0.22 0.00 0.00 54.13 53.96 1nug s LEU 648 Cb -0.58 -1.80 0.19 0.00 0.50 0.00 0.00 46.19 44.50 1nug s LEU 648 CO 0.57 -0.06 1.08 -0.83 -1.32 0.00 0.00 176.35 175.79 1nug s GLY 649 N 1.50 1.58 0.05 7.98 0.00 -1.26 -1.28 107.32 115.89 1nug s GLY 649 Ca 0.05 -0.19 -0.34 0.00 0.00 0.00 0.00 44.72 44.24 1nug s GLY 649 CO -0.01 0.41 1.68 -1.05 0.00 0.00 0.00 173.10 174.13 1nug n PRO 650 N -4.26 2.06 -1.70 2.90 -0.02 -1.26 -1.78 135.00 130.93 1nug n PRO 650 Ca 0.05 0.75 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 1nug n PRO 650 Cb 0.56 -2.53 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 1nug n PRO 650 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nug n LYS 651 N 4.65 -1.41 -3.89 -0.52 5.02 -0.23 -4.99 118.16 116.80 1nug n LYS 651 Ca 0.20 1.16 -0.22 0.00 -2.02 0.00 0.00 58.31 57.43 1nug n LYS 651 Cb 0.28 -5.54 -0.02 0.00 -0.02 0.00 0.00 35.03 29.73 1nug n LYS 651 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1nug s GLU 652 N -3.88 3.45 -0.00 1.97 2.02 -0.74 -4.77 118.70 116.76 1nug s GLU 652 Ca 0.00 -0.69 0.03 0.00 0.02 0.00 0.00 54.97 54.33 1nug s GLU 652 Cb 0.00 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 1nug s GLU 652 CO 0.00 0.39 -0.08 0.50 0.02 0.00 0.00 175.26 176.10 1nug s ARG 653 N -3.99 2.53 -0.15 1.61 3.52 -1.26 -1.19 118.95 120.02 1nug s ARG 653 Ca 0.35 -0.72 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 1nug s ARG 653 Cb -0.09 -2.48 -0.03 0.00 -1.56 0.00 0.00 34.95 30.79 1nug s ARG 653 CO 0.30 0.60 -0.04 0.45 -0.81 0.00 0.00 175.30 175.81 1nug s SER 654 N -1.34 4.83 -0.24 -2.12 0.15 0.12 -4.98 113.70 110.12 1nug s SER 654 Ca 0.16 -0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.72 1nug s SER 654 Cb -0.11 -1.73 0.06 0.00 -1.71 0.00 0.00 66.02 62.53 1nug s SER 654 CO 0.07 0.19 -0.04 -0.60 1.20 0.00 0.00 173.24 174.06 1nug s ARG 655 N 0.22 1.56 -0.15 5.44 3.52 -1.26 -2.02 118.95 126.26 1nug s ARG 655 Ca -0.02 -1.02 -0.04 0.00 -0.13 0.00 0.00 55.73 54.52 1nug s ARG 655 Cb -0.14 -2.58 -0.03 0.00 -1.56 0.00 0.00 34.95 30.64 1nug s ARG 655 CO 0.03 -0.63 -0.02 0.08 -0.81 0.00 0.00 175.30 173.95 1nug s VAL 656 N 1.39 4.05 0.13 7.11 1.01 -0.58 -4.95 120.40 128.55 1nug s VAL 656 Ca -0.05 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1nug s VAL 656 Cb -0.19 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1nug s VAL 656 CO -0.07 0.50 0.08 -0.13 0.00 0.00 0.00 175.10 175.48 1nug s ARG 657 N 0.20 2.77 -0.28 2.72 1.81 -1.26 -0.71 118.95 124.20 1nug s ARG 657 Ca -0.01 -0.84 -0.28 0.00 -1.72 0.00 0.00 55.73 52.87 1nug s ARG 657 Cb -0.14 -2.61 0.19 0.00 -0.45 0.00 0.00 34.95 31.94 1nug s ARG 657 CO 0.02 0.51 1.36 -0.59 -0.68 0.00 0.00 175.30 175.93 1nug s PHE 658 N -1.56 -0.05 0.07 -0.53 -0.12 -1.15 -5.01 117.98 109.62 1nug s PHE 658 Ca 0.29 0.10 0.03 0.00 -0.05 0.00 0.00 56.93 57.30 1nug s PHE 658 Cb -0.11 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1nug s PHE 658 CO 0.21 -0.04 0.06 -0.51 -0.05 0.00 0.00 175.22 174.89 1nug s ASP 659 N -0.84 5.44 0.17 1.98 -0.00 -1.26 -1.49 116.67 120.67 1nug s ASP 659 Ca 0.08 -0.02 0.11 0.00 -0.00 0.00 0.00 52.55 52.72 1nug s ASP 659 Cb -0.02 -1.44 -0.04 0.00 -0.00 0.00 0.00 42.92 41.42 1nug s ASP 659 CO -0.09 0.19 -0.24 0.27 -0.00 0.00 0.00 175.17 175.30 1nug s ILE 660 N -1.33 2.39 -0.47 0.77 -4.36 0.26 -4.93 121.20 113.53 1nug s ILE 660 Ca 0.27 -1.91 0.03 0.00 -0.26 0.00 0.00 60.65 58.79 1nug s ILE 660 Cb -0.12 -2.12 0.13 0.00 1.25 0.00 0.00 42.46 41.59 1nug s ILE 660 CO 0.20 -0.05 0.22 -0.22 0.24 0.00 0.00 174.94 175.33 1nug s LEU 661 N -2.47 3.98 0.24 0.37 2.96 -1.03 -0.49 118.68 122.25 1nug s LEU 661 Ca 0.19 -2.77 -0.30 0.00 -0.22 0.00 0.00 54.13 51.03 1nug s LEU 661 Cb -0.09 -1.49 -0.14 0.00 0.50 0.00 0.00 46.19 44.97 1nug s LEU 661 CO 0.09 -0.27 1.17 -2.65 -1.32 0.00 0.00 176.35 173.37 1nug n PRO 662 N 3.42 1.50 0.00 0.98 -0.02 -1.22 -4.50 135.00 135.16 1nug n PRO 662 Ca 0.05 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1nug n PRO 662 Cb 0.34 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1nug n PRO 662 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1nug n SER 663 N 1.66 2.00 -3.77 2.55 3.41 -0.32 0.11 113.62 119.25 1nug n SER 663 Ca 0.11 -0.25 -0.14 0.00 -0.26 0.00 0.00 58.87 58.33 1nug n SER 663 Cb 0.30 0.91 -0.15 0.00 -0.26 0.00 0.00 64.21 65.00 1nug n SER 663 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1nug s ARG 664 N -1.30 0.00 0.69 4.33 3.52 -1.23 -4.85 118.95 120.11 1nug s ARG 664 Ca 0.00 0.23 -0.11 0.00 -0.13 0.00 0.00 55.73 55.71 1nug s ARG 664 Cb 0.00 -0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.19 1nug s ARG 664 CO 0.00 -0.15 1.06 -1.54 -0.81 0.00 0.00 175.30 173.86 1nug s SER 665 N 1.00 5.52 0.00 -2.12 1.04 -1.26 -4.82 113.70 113.06 1nug s SER 665 Ca -0.08 1.40 0.00 0.00 0.48 0.00 0.00 55.95 57.75 1nug s SER 665 Cb -0.11 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1nug s SER 665 CO -0.03 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.47 1nug n GLY 666 N -2.46 0.55 3.56 7.32 0.00 0.59 -4.92 105.19 109.83 1nug n GLY 666 Ca 0.07 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.39 1nug n GLY 666 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nug s THR 667 N -0.04 4.94 0.23 2.61 2.01 -1.26 -0.05 115.64 124.07 1nug s THR 667 Ca 0.00 0.48 0.09 0.00 0.31 0.00 0.00 61.69 62.56 1nug s THR 667 Cb 0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1nug s THR 667 CO 0.00 -0.28 -0.00 -0.54 -0.69 0.00 0.00 174.62 173.10 1nug s LYS 668 N 2.59 2.33 -0.21 4.92 -0.14 0.57 -4.96 119.74 124.83 1nug s LYS 668 Ca 0.22 -1.30 0.01 0.00 -1.36 0.00 0.00 55.97 53.54 1nug s LYS 668 Cb -0.15 -2.23 0.03 0.00 -1.68 0.00 0.00 37.83 33.80 1nug s LYS 668 CO 0.14 0.40 -0.15 -1.14 -0.76 0.00 0.00 175.35 173.84 1nug s GLN 669 N -3.40 2.80 -0.17 1.68 0.74 -1.26 -0.51 119.66 119.54 1nug s GLN 669 Ca 0.30 -0.97 -0.13 0.00 0.05 0.00 0.00 55.36 54.61 1nug s GLN 669 Cb -0.07 -2.73 -0.05 0.00 1.10 0.00 0.00 33.01 31.26 1nug s GLN 669 CO 0.19 -0.32 0.27 -1.17 -0.55 0.00 0.00 175.29 173.71 1nug s LEU 670 N 1.26 4.23 0.06 3.68 2.96 0.33 -4.47 118.68 126.73 1nug s LEU 670 Ca 0.01 0.45 0.08 0.00 -0.22 0.00 0.00 54.13 54.45 1nug s LEU 670 Cb -0.15 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.18 1nug s LEU 670 CO -0.09 0.10 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.06 1nug s LEU 671 N 0.51 2.21 0.00 -0.68 1.43 -0.50 -0.73 118.68 120.92 1nug s LEU 671 Ca 0.15 -0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 1nug s LEU 671 Cb -0.13 -0.98 -0.00 0.00 0.03 0.00 0.00 46.19 45.11 1nug s LEU 671 CO 0.03 0.14 0.12 0.00 0.23 0.00 0.00 176.35 176.87 1nug s ALA 672 N -0.92 -0.28 -0.08 4.21 0.00 -0.97 -1.39 121.76 122.34 1nug s ALA 672 Ca 0.08 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1nug s ALA 672 Cb -0.09 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1nug s ALA 672 CO 0.03 -0.20 -0.11 0.34 0.00 0.00 0.00 175.76 175.82 1nug s ASP 673 N -1.32 1.93 -0.21 0.00 2.15 0.10 -2.02 116.67 117.29 1nug s ASP 673 Ca -0.14 -0.31 -0.01 0.00 0.43 0.00 0.00 52.55 52.51 1nug s ASP 673 Cb -0.08 -0.85 0.01 0.00 -0.30 0.00 0.00 42.92 41.71 1nug s ASP 673 CO 0.01 -0.01 -0.11 0.12 -0.17 0.00 0.00 175.17 175.02 1nug s PHE 674 N 0.95 2.92 -0.01 -5.34 5.36 -0.03 -0.63 117.98 121.21 1nug s PHE 674 Ca -0.09 -1.37 0.07 0.00 -0.96 0.00 0.00 56.93 54.58 1nug s PHE 674 Cb -0.15 -2.02 -0.02 0.00 -0.34 0.00 0.00 43.02 40.49 1nug s PHE 674 CO 0.00 -0.69 -0.22 -1.12 -1.46 0.00 0.00 175.22 171.73 1nug s SER 675 N 1.37 2.58 0.27 6.13 0.01 -0.55 -0.77 113.70 122.74 1nug s SER 675 Ca 0.04 -0.41 -0.12 0.00 1.31 0.00 0.00 55.95 56.77 1nug s SER 675 Cb -0.14 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.81 1nug s SER 675 CO -0.07 0.26 0.51 0.00 0.41 0.00 0.00 173.24 174.34 1nug h ASN 677 N 2.21 0.69 1.01 0.00 -1.07 -1.32 -2.87 115.58 114.24 1nug h ASN 677 Ca -0.26 0.07 -0.11 0.00 0.07 0.00 0.00 56.30 56.06 1nug h ASN 677 Cb 1.25 -0.06 -0.02 0.00 -2.07 0.00 0.00 38.32 37.42 1nug h ASN 677 CO 0.36 0.34 -1.05 0.11 0.07 0.00 0.00 177.43 177.25 1nug h LYS 678 N 0.77 0.00 -3.10 4.14 6.56 -1.91 -3.43 116.57 119.59 1nug h LYS 678 Ca 0.46 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 59.45 1nug h LYS 678 Cb 0.56 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 31.82 1nug h LYS 678 CO -0.31 0.26 -0.75 -0.06 -2.06 0.00 0.00 179.45 176.54 1nug s PHE 679 N -3.04 1.87 0.15 -1.35 0.40 -1.08 -5.12 117.98 109.82 1nug s PHE 679 Ca -0.00 -2.25 -0.30 0.00 -0.60 0.00 0.00 56.93 53.78 1nug s PHE 679 Cb 0.08 -1.81 -0.07 0.00 0.51 0.00 0.00 43.02 41.74 1nug s PHE 679 CO 0.78 -0.81 0.94 -1.25 0.70 0.00 0.00 175.22 175.58 1nug s PRO 680 N 0.66 4.73 -1.14 0.24 0.04 -1.24 -2.52 135.00 135.77 1nug s PRO 680 Ca 0.16 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 1nug s PRO 680 Cb -0.23 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 1nug s PRO 680 CO -0.04 0.32 0.93 0.00 0.04 0.00 0.00 177.00 178.25 1nug n ALA 681 N 2.35 -2.24 -2.00 8.56 0.00 -1.23 -4.82 120.51 121.14 1nug n ALA 681 Ca 0.00 0.01 -0.40 0.00 0.00 0.00 0.00 53.44 53.05 1nug n ALA 681 Cb 0.49 -3.85 -0.05 0.00 0.00 0.00 0.00 19.45 16.03 1nug n ALA 681 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nug s ILE 682 N -3.40 4.29 0.22 0.00 1.01 0.05 -4.87 121.20 118.50 1nug s ILE 682 Ca 0.21 2.03 0.09 0.00 0.00 0.00 0.00 60.65 62.98 1nug s ILE 682 Cb -0.03 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 1nug s ILE 682 CO 0.75 0.42 -0.05 -0.54 0.00 0.00 0.00 174.94 175.52 1nug s LYS 683 N -0.66 2.18 0.04 2.79 -0.14 -1.26 -0.85 119.74 121.83 1nug s LYS 683 Ca 0.43 -1.32 -0.11 0.00 -1.36 0.00 0.00 55.97 53.61 1nug s LYS 683 Cb -0.24 -2.17 0.01 0.00 -1.68 0.00 0.00 37.83 33.74 1nug s LYS 683 CO 0.30 0.41 0.22 0.00 -0.76 0.00 0.00 175.35 175.52 1nug s ALA 684 N -1.97 -0.46 -0.14 5.17 0.00 -0.86 -4.53 121.76 118.97 1nug s ALA 684 Ca 0.28 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.91 1nug s ALA 684 Cb -0.08 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.36 1nug s ALA 684 CO 0.17 -0.36 0.40 1.41 0.00 0.00 0.00 175.76 177.38 1nug s MET 685 N -2.46 0.51 -0.08 0.00 0.00 -1.26 -2.28 119.30 113.73 1nug s MET 685 Ca -0.06 0.49 -0.03 0.00 0.00 0.00 0.00 55.69 56.09 1nug s MET 685 Cb -0.01 0.24 0.04 0.00 0.00 0.00 0.00 34.83 35.10 1nug s MET 685 CO -0.03 -0.07 0.16 -1.17 0.00 0.00 0.00 175.02 173.90 1nug s LEU 686 N 0.04 0.29 0.03 4.11 2.96 0.09 -4.86 118.68 121.34 1nug s LEU 686 Ca -0.01 0.33 -0.26 0.00 -0.22 0.00 0.00 54.13 53.97 1nug s LEU 686 Cb -0.03 0.34 -0.05 0.00 0.50 0.00 0.00 46.19 46.95 1nug s LEU 686 CO 0.01 -0.20 0.82 -0.55 -1.32 0.00 0.00 176.35 175.11 1nug s SER 687 N 1.77 7.24 -0.08 3.68 0.15 -1.26 -0.51 113.70 124.69 1nug s SER 687 Ca -0.03 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.11 1nug s SER 687 Cb -0.12 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.72 1nug s SER 687 CO -0.06 -0.07 -0.06 -0.63 1.20 0.00 0.00 173.24 173.62 1nug s ILE 688 N 0.30 0.77 -0.51 6.45 1.01 0.33 -4.97 121.20 124.58 1nug s ILE 688 Ca 0.42 -0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.68 1nug s ILE 688 Cb -0.20 -0.80 0.05 0.00 0.01 0.00 0.00 42.46 41.52 1nug s ILE 688 CO 0.24 0.30 0.70 -1.81 0.00 0.00 0.00 174.94 174.37 1nug s ASP 689 N 1.36 6.26 -0.18 3.58 1.01 -1.26 -0.32 116.67 127.12 1nug s ASP 689 Ca -0.03 -0.73 -0.24 0.00 0.71 0.00 0.00 52.55 52.26 1nug s ASP 689 Cb -0.14 -2.33 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 1nug s ASP 689 CO -0.03 -0.96 0.77 -0.69 0.21 0.00 0.00 175.17 174.46 1nug s VAL 690 N 2.96 4.92 0.48 -1.27 1.01 0.92 -4.52 120.40 124.91 1nug s VAL 690 Ca 0.19 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.65 1nug s VAL 690 Cb -0.17 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1nug s VAL 690 CO 0.14 0.05 0.73 0.00 0.00 0.00 0.00 175.10 176.02 1nug s ALA 691 N 2.08 3.63 -2.00 5.51 0.00 0.56 -0.30 121.76 131.24 1nug s ALA 691 Ca 0.35 -0.95 0.30 0.00 0.00 0.00 0.00 51.96 51.66 1nug s ALA 691 Cb -0.16 -2.27 1.78 0.00 0.00 0.00 0.00 23.12 22.47 1nug s ALA 691 CO 0.12 -0.48 2.11 -1.91 0.00 0.00 0.00 175.76 175.60