#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3du4 n THR 2 N 0.00 0.00 -0.21 2.03 -2.24 -1.26 -4.73 114.28 107.87 3du4 n THR 2 Ca 0.00 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 3du4 n THR 2 Cb 0.00 0.97 0.02 0.00 -2.10 0.00 0.00 70.33 69.23 3du4 n THR 2 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3du4 h HIS 3 N 0.00 1.09 -0.28 4.78 -0.00 -2.00 -2.80 115.15 115.94 3du4 h HIS 3 Ca 0.00 -0.17 -0.16 0.00 -0.00 0.00 0.00 60.37 60.05 3du4 h HIS 3 Cb 0.00 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.11 3du4 h HIS 3 CO 0.00 0.95 -0.46 -0.44 -0.00 0.00 0.00 177.93 177.98 3du4 h ASP 4 N 0.91 0.78 -0.67 3.26 3.32 -2.00 -2.34 116.42 119.69 3du4 h ASP 4 Ca 0.17 -0.38 0.05 0.00 0.02 0.00 0.00 57.03 56.90 3du4 h ASP 4 Cb 0.48 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3du4 h ASP 4 CO 0.02 1.12 0.44 0.25 -1.72 0.00 0.00 179.24 179.35 3du4 h LEU 5 N 0.58 0.63 -0.27 1.55 5.85 -1.83 0.19 115.31 122.01 3du4 h LEU 5 Ca 0.03 -0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.55 3du4 h LEU 5 Cb 1.02 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3du4 h LEU 5 CO 0.10 0.42 -0.69 0.40 -0.34 0.00 0.00 178.44 178.33 3du4 h ILE 6 N 0.72 1.29 -0.21 4.05 2.04 -1.19 -1.85 117.51 122.37 3du4 h ILE 6 Ca 0.28 -1.91 -0.21 0.00 1.00 0.00 0.00 64.86 64.02 3du4 h ILE 6 Cb 0.20 1.88 0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3du4 h ILE 6 CO -0.09 0.61 -0.67 -0.08 0.00 0.00 0.00 178.15 177.92 3du4 h GLU 7 N 0.53 0.82 -0.59 2.37 4.57 -0.93 -2.96 114.58 118.40 3du4 h GLU 7 Ca -0.03 -0.61 0.08 0.00 -1.18 0.00 0.00 59.36 57.63 3du4 h GLU 7 Cb 1.30 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.93 3du4 h GLU 7 CO 0.14 1.22 0.24 0.87 -1.18 0.00 0.00 179.01 180.30 3du4 h LYS 8 N 0.57 0.42 -0.74 1.92 6.56 -0.62 -1.55 116.57 123.13 3du4 h LYS 8 Ca -0.03 -0.03 0.07 0.00 -1.06 0.00 0.00 60.65 59.61 3du4 h LYS 8 Cb 1.30 -0.10 -0.05 0.00 -0.57 0.00 0.00 32.23 32.81 3du4 h LYS 8 CO 0.14 0.28 0.49 0.66 -2.06 0.00 0.00 179.45 178.96 3du4 h SER 9 N 0.44 0.66 1.73 0.86 4.64 -1.24 -1.23 113.55 119.42 3du4 h SER 9 Ca 0.29 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 3du4 h SER 9 Cb 0.32 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3du4 h SER 9 CO -0.27 0.42 -0.27 0.11 -0.87 0.00 0.00 176.83 175.95 3du4 h LYS 10 N 0.75 0.00 0.09 4.77 1.57 -1.24 -3.02 116.57 119.50 3du4 h LYS 10 Ca 0.33 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.79 3du4 h LYS 10 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3du4 h LYS 10 CO -0.11 0.08 -1.71 -0.22 -0.57 0.00 0.00 179.45 176.92 3du4 h LYS 11 N 0.00 0.19 0.00 3.15 3.64 -0.62 -3.43 116.57 119.50 3du4 h LYS 11 Ca -0.01 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 3du4 h LYS 11 Cb 1.08 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3du4 h LYS 11 CO 0.01 0.99 -0.31 0.72 -2.27 0.00 0.00 179.45 178.59 3du4 n HIS 12 N -3.36 0.00 -3.76 1.91 8.25 -0.53 -5.06 115.22 112.68 3du4 n HIS 12 Ca -0.21 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 56.97 3du4 n HIS 12 Cb 1.05 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 32.11 3du4 n HIS 12 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3du4 s LEU 13 N -2.32 4.27 -0.15 2.41 1.43 -1.14 -5.08 118.68 118.10 3du4 s LEU 13 Ca 0.01 0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.47 3du4 s LEU 13 Cb 0.02 -3.13 0.05 0.00 0.03 0.00 0.00 46.19 43.16 3du4 s LEU 13 CO 0.13 0.02 0.01 0.86 0.23 0.00 0.00 176.35 177.59 3du4 s TRP 14 N -1.77 0.99 0.09 0.29 -0.11 -1.26 -4.93 118.94 112.24 3du4 s TRP 14 Ca 0.38 -0.65 -0.04 0.00 1.22 0.00 0.00 56.10 57.01 3du4 s TRP 14 Cb -0.11 -0.99 -0.05 0.00 -1.50 0.00 0.00 33.47 30.82 3du4 s TRP 14 CO 0.28 -0.51 0.31 -0.51 -4.62 0.00 0.00 176.95 171.90 3du4 s LEU 15 N 1.87 4.32 0.34 5.86 1.43 -1.26 -5.05 118.68 126.18 3du4 s LEU 15 Ca 0.01 0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 53.35 3du4 s LEU 15 Cb -0.15 -3.07 -0.09 0.00 0.03 0.00 0.00 46.19 42.90 3du4 s LEU 15 CO -0.07 0.13 1.20 -2.16 0.23 0.00 0.00 176.35 175.68 3du4 s PRO 16 N -2.39 4.35 -1.48 1.29 0.04 -1.26 -3.68 135.00 131.87 3du4 s PRO 16 Ca 0.36 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 3du4 s PRO 16 Cb -0.13 -2.98 0.08 0.00 0.04 0.00 0.00 34.50 31.51 3du4 s PRO 16 CO 0.23 -0.10 0.80 1.19 0.04 0.00 0.00 177.00 179.15 3du4 n PHE 17 N 0.69 -2.10 -3.77 0.56 3.72 -1.26 -4.95 117.46 110.35 3du4 n PHE 17 Ca 0.01 0.73 -0.13 0.00 -0.05 0.00 0.00 57.45 58.02 3du4 n PHE 17 Cb 0.44 -3.71 -0.12 0.00 -0.94 0.00 0.00 39.48 35.16 3du4 n PHE 17 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3du4 s THR 18 N -3.18 -0.00 -0.29 4.37 -1.32 -1.24 -5.11 115.64 108.86 3du4 s THR 18 Ca 0.56 0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.76 3du4 s THR 18 Cb -0.28 -0.39 0.01 0.00 -1.51 0.00 0.00 72.50 70.33 3du4 s THR 18 CO 0.68 0.01 1.14 -1.58 -2.21 0.00 0.00 174.62 172.66 3du4 s GLN 19 N 0.29 4.07 0.53 7.08 2.00 -1.26 -4.78 119.66 127.58 3du4 s GLN 19 Ca -0.01 1.19 0.31 0.00 -2.00 0.00 0.00 55.36 54.85 3du4 s GLN 19 Cb -0.03 -3.76 1.31 0.00 0.80 0.00 0.00 33.01 31.32 3du4 s GLN 19 CO -0.01 -0.91 1.97 0.52 -0.50 0.00 0.00 175.29 176.36 3du4 h MET 20 N 8.31 0.00 -0.45 1.67 2.86 -1.99 0.40 114.93 125.72 3du4 h MET 20 Ca -0.22 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.37 3du4 h MET 20 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 3du4 h MET 20 CO 1.02 0.06 0.08 -0.22 1.06 0.00 0.00 176.91 178.91 3du4 h LYS 21 N 0.00 0.69 -0.33 1.72 3.64 -1.99 0.50 116.57 120.81 3du4 h LYS 21 Ca -0.00 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 3du4 h LYS 21 Cb 0.54 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3du4 h LYS 21 CO 0.01 0.65 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.32 3du4 h ASP 22 N 0.66 0.63 0.16 4.20 3.45 -1.34 -2.57 116.42 121.62 3du4 h ASP 22 Ca 0.15 -0.36 -0.01 0.00 0.43 0.00 0.00 57.03 57.23 3du4 h ASP 22 Cb 0.29 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.89 3du4 h ASP 22 CO 0.00 0.85 -0.07 0.22 -1.57 0.00 0.00 179.24 178.67 3du4 h TYR 23 N 0.41 -0.19 -0.64 4.55 3.20 -1.07 -2.45 116.97 120.78 3du4 h TYR 23 Ca 0.08 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.08 3du4 h TYR 23 Cb 0.57 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 3du4 h TYR 23 CO 0.05 -0.02 0.43 -0.44 -1.64 0.00 0.00 178.16 176.54 3du4 h ASP 24 N -0.33 0.28 -0.18 -2.11 3.45 -0.92 -0.68 116.42 115.93 3du4 h ASP 24 Ca -0.02 0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.34 3du4 h ASP 24 Cb 0.26 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 3du4 h ASP 24 CO 0.04 0.15 -0.33 -0.33 -1.57 0.00 0.00 179.24 177.20 3du4 h GLU 25 N 0.30 0.54 -2.31 3.56 4.39 -1.31 -3.39 114.58 116.37 3du4 h GLU 25 Ca 0.30 -0.34 -0.59 0.00 0.34 0.00 0.00 59.36 59.07 3du4 h GLU 25 Cb 0.78 0.04 -0.41 0.00 -0.10 0.00 0.00 28.75 29.06 3du4 h GLU 25 CO -0.07 0.95 -0.77 0.09 -1.16 0.00 0.00 179.01 178.05 3du4 n ASN 26 N -4.32 2.25 -4.79 1.42 3.02 -0.48 -5.10 115.26 107.26 3du4 n ASN 26 Ca -0.06 -3.10 -0.34 0.00 -0.03 0.00 0.00 54.58 51.05 3du4 n ASN 26 Cb 0.49 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3du4 n ASN 26 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3du4 s PRO 27 N -1.71 3.37 -0.11 3.52 0.04 -0.38 -4.79 135.00 134.94 3du4 s PRO 27 Ca 0.35 1.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.77 3du4 s PRO 27 Cb 0.11 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.68 3du4 s PRO 27 CO -0.08 -0.80 0.25 -1.17 0.04 0.00 0.00 177.00 175.23 3du4 s LEU 28 N -4.04 0.21 -0.19 -3.56 2.96 -1.26 -5.10 118.68 107.70 3du4 s LEU 28 Ca 0.68 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 55.14 3du4 s LEU 28 Cb -0.20 0.71 0.03 0.00 0.50 0.00 0.00 46.19 47.24 3du4 s LEU 28 CO 0.30 -0.19 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.36 3du4 s ILE 29 N 1.60 1.85 0.09 6.68 1.01 -1.26 -5.10 121.20 126.07 3du4 s ILE 29 Ca -0.06 -0.99 -0.25 0.00 0.00 0.00 0.00 60.65 59.35 3du4 s ILE 29 Cb -0.11 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 3du4 s ILE 29 CO -0.08 0.34 0.78 -0.63 0.00 0.00 0.00 174.94 175.34 3du4 s ILE 30 N 1.34 4.60 -0.08 2.92 -1.09 -1.26 -1.47 121.20 126.15 3du4 s ILE 30 Ca 0.01 1.67 0.06 0.00 -2.23 0.00 0.00 60.65 60.16 3du4 s ILE 30 Cb -0.15 -4.13 -0.09 0.00 -1.58 0.00 0.00 42.46 36.51 3du4 s ILE 30 CO -0.10 0.42 0.00 1.21 -1.23 0.00 0.00 174.94 175.24 3du4 n GLU 31 N 2.39 2.19 -3.66 2.79 2.13 0.03 -4.85 120.64 121.66 3du4 n GLU 31 Ca -0.03 0.01 -0.09 0.00 0.66 0.00 0.00 57.16 57.71 3du4 n GLU 31 Cb 0.50 -1.20 -0.02 0.00 0.27 0.00 0.00 31.44 30.98 3du4 n GLU 31 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3du4 s SER 32 N -4.18 -0.38 0.02 4.31 1.04 -1.13 -5.02 113.70 108.36 3du4 s SER 32 Ca -0.06 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3du4 s SER 32 Cb 0.03 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 3du4 s SER 32 CO 0.30 -1.13 -0.03 -0.83 0.98 0.00 0.00 173.24 172.54 3du4 s GLY 33 N -2.83 0.21 -0.16 7.32 0.00 -1.26 0.04 107.32 110.64 3du4 s GLY 33 Ca 0.07 -0.43 -0.08 0.00 0.00 0.00 0.00 44.72 44.28 3du4 s GLY 33 CO -0.02 -0.48 0.36 -1.08 0.00 0.00 0.00 173.10 171.89 3du4 s THR 34 N -0.98 -0.18 0.00 0.90 -1.32 0.23 -4.14 115.64 110.14 3du4 s THR 34 Ca -0.10 0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 3du4 s THR 34 Cb -0.07 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.36 3du4 s THR 34 CO -0.01 0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 3du4 n GLY 35 N 4.58 3.03 1.30 6.08 0.00 -1.19 -2.75 105.19 116.24 3du4 n GLY 35 Ca -0.19 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.60 3du4 n GLY 35 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3du4 n ILE 36 N 0.00 1.56 -4.79 -0.61 -5.35 -1.26 -0.21 119.36 108.70 3du4 n ILE 36 Ca 0.00 -0.85 -0.28 0.00 -0.27 0.00 0.00 62.75 61.35 3du4 n ILE 36 Cb 0.00 -0.23 -0.14 0.00 -1.74 0.00 0.00 39.64 37.53 3du4 n ILE 36 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3du4 s LYS 37 N -1.99 1.59 0.36 6.28 -0.14 -1.11 -0.55 119.74 124.17 3du4 s LYS 37 Ca 0.35 -1.00 0.08 0.00 -1.36 0.00 0.00 55.97 54.04 3du4 s LYS 37 Cb 0.25 -1.71 -0.03 0.00 -1.68 0.00 0.00 37.83 34.66 3du4 s LYS 37 CO 0.12 0.44 0.27 0.14 -0.76 0.00 0.00 175.35 175.57 3du4 s VAL 38 N -0.78 3.15 -0.03 3.17 -7.23 -0.23 -0.60 120.40 117.85 3du4 s VAL 38 Ca 0.09 -1.45 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 3du4 s VAL 38 Cb -0.09 -3.08 0.02 0.00 0.56 0.00 0.00 36.38 33.78 3du4 s VAL 38 CO 0.02 -0.13 -0.02 -0.75 -0.31 0.00 0.00 175.10 173.90 3du4 s LYS 39 N -3.99 0.52 0.85 4.82 2.36 0.11 -1.14 119.74 123.27 3du4 s LYS 39 Ca 0.42 -0.03 -0.10 0.00 -2.55 0.00 0.00 55.97 53.71 3du4 s LYS 39 Cb -0.04 -0.60 0.16 0.00 -1.05 0.00 0.00 37.83 36.30 3du4 s LYS 39 CO 0.26 -0.08 1.17 0.16 1.55 0.00 0.00 175.35 178.41 3du4 s ASP 40 N 0.80 3.76 0.00 1.43 1.47 -0.08 -0.79 116.67 123.26 3du4 s ASP 40 Ca -0.09 0.08 0.09 0.00 1.18 0.00 0.00 52.55 53.80 3du4 s ASP 40 Cb -0.12 -0.31 0.37 0.00 -0.34 0.00 0.00 42.92 42.51 3du4 s ASP 40 CO -0.01 -2.29 1.27 2.30 0.68 0.00 0.00 175.17 177.12 3du4 n ILE 41 N -3.34 1.39 1.00 2.11 -5.35 -0.54 -1.25 119.36 113.38 3du4 n ILE 41 Ca 0.14 0.35 0.10 0.00 -0.27 0.00 0.00 62.75 63.07 3du4 n ILE 41 Cb 0.60 -1.20 -0.06 0.00 -1.74 0.00 0.00 39.64 37.24 3du4 n ILE 41 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3du4 n ASN 42 N -1.49 1.18 0.00 7.28 5.03 -1.26 -4.98 115.26 121.02 3du4 n ASN 42 Ca 0.02 -1.06 0.00 0.00 0.87 0.00 0.00 54.58 54.41 3du4 n ASN 42 Cb 0.10 0.83 0.00 0.00 -1.02 0.00 0.00 39.78 39.69 3du4 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3du4 n GLY 43 N 1.48 0.70 3.73 7.41 0.00 -0.38 -5.06 105.19 113.07 3du4 n GLY 43 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3du4 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3du4 s LYS 44 N -0.82 4.56 0.04 1.61 2.20 -1.26 -4.77 119.74 121.31 3du4 s LYS 44 Ca 0.00 1.70 0.01 0.00 -0.36 0.00 0.00 55.97 57.32 3du4 s LYS 44 Cb 0.00 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 3du4 s LYS 44 CO 0.00 0.01 0.11 -1.21 -0.36 0.00 0.00 175.35 173.90 3du4 s GLU 45 N 0.01 3.08 -0.01 4.03 2.02 -1.26 -0.90 118.70 125.66 3du4 s GLU 45 Ca 0.51 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.95 3du4 s GLU 45 Cb -0.29 -2.85 0.02 0.00 0.10 0.00 0.00 34.13 31.11 3du4 s GLU 45 CO 0.33 0.61 0.01 0.71 0.02 0.00 0.00 175.26 176.94 3du4 s TYR 46 N -1.33 0.05 0.33 1.61 1.51 -0.29 -4.68 117.35 114.55 3du4 s TYR 46 Ca 0.28 0.06 -0.29 0.00 -1.01 0.00 0.00 57.07 56.11 3du4 s TYR 46 Cb -0.12 -0.15 -0.11 0.00 -0.11 0.00 0.00 41.96 41.46 3du4 s TYR 46 CO 0.20 -0.05 1.55 0.66 -1.11 0.00 0.00 175.55 176.79 3du4 n TYR 47 N 3.70 2.92 -2.95 2.71 4.02 -0.55 -1.07 117.16 125.94 3du4 n TYR 47 Ca -0.21 0.34 -0.44 0.00 -0.01 0.00 0.00 57.90 57.58 3du4 n TYR 47 Cb 0.54 -2.57 0.00 0.00 -0.02 0.00 0.00 39.34 37.30 3du4 n TYR 47 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3du4 n ASP 48 N 1.38 5.36 0.00 7.72 -0.08 0.28 -0.04 116.55 131.18 3du4 n ASP 48 Ca 0.05 -3.05 0.14 0.00 -1.51 0.00 0.00 54.79 50.43 3du4 n ASP 48 Cb 0.38 -1.49 0.69 0.00 2.34 0.00 0.00 41.12 43.03 3du4 n ASP 48 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3du4 n GLY 49 N 3.35 -1.30 0.38 0.27 0.00 -0.36 -2.35 105.19 105.19 3du4 n GLY 49 Ca 0.34 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.27 3du4 n GLY 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3du4 n PHE 50 N -1.35 0.29 -3.89 1.61 -0.00 -1.04 -1.68 117.46 111.40 3du4 n PHE 50 Ca 0.12 -0.54 -0.28 0.00 -0.00 0.00 0.00 57.45 56.74 3du4 n PHE 50 Cb 0.26 -0.06 0.02 0.00 -0.00 0.00 0.00 39.48 39.70 3du4 n PHE 50 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3du4 n SER 51 N -0.03 -3.19 -3.86 5.98 7.64 -0.71 0.16 113.62 119.61 3du4 n SER 51 Ca 0.08 -0.83 -0.28 0.00 1.01 0.00 0.00 58.87 58.85 3du4 n SER 51 Cb 0.40 -3.75 0.02 0.00 -1.01 0.00 0.00 64.21 59.87 3du4 n SER 51 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3du4 n SER 52 N -2.90 -3.57 -1.53 6.43 7.64 -1.26 -1.49 113.62 116.94 3du4 n SER 52 Ca -0.09 -0.80 -0.04 0.00 1.01 0.00 0.00 58.87 58.95 3du4 n SER 52 Cb 0.58 -3.88 0.02 0.00 -1.01 0.00 0.00 64.21 59.93 3du4 n SER 52 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3du4 n VAL 53 N -4.56 -1.33 -1.99 0.44 0.31 -0.73 -4.46 118.33 106.02 3du4 n VAL 53 Ca -0.07 -0.11 -0.06 0.00 -0.01 0.00 0.00 64.34 64.10 3du4 n VAL 53 Cb 0.57 -3.01 -0.01 0.00 -0.91 0.00 0.00 33.84 30.49 3du4 n VAL 53 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3du4 n TRP 54 N -1.79 -0.24 0.00 3.52 8.01 0.12 -4.88 117.44 122.18 3du4 n TRP 54 Ca -0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 3du4 n TRP 54 Cb 0.54 -1.75 0.00 0.00 -2.01 0.00 0.00 31.31 28.09 3du4 n TRP 54 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.69 178.15 3du4 n LEU 55 N -0.79 0.00 -4.66 -0.99 -0.00 -0.78 -4.31 117.00 105.47 3du4 n LEU 55 Ca -0.07 -0.10 -0.39 0.00 -0.00 0.00 0.00 56.01 55.46 3du4 n LEU 55 Cb 0.51 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.86 3du4 n LEU 55 CO 0.08 0.00 0.20 0.21 -0.00 0.00 0.00 177.39 177.88 3du4 s ASN 56 N -0.70 6.50 -0.18 1.45 3.84 -0.55 -2.01 114.94 123.28 3du4 s ASN 56 Ca 0.00 0.60 -0.14 0.00 0.21 0.00 0.00 52.86 53.52 3du4 s ASN 56 Cb 0.00 -2.27 -0.07 0.00 -0.55 0.00 0.00 41.25 38.36 3du4 s ASN 56 CO 0.00 -0.17 -0.30 0.52 -2.79 0.00 0.00 177.10 174.36 3du4 n VAL 57 N 4.60 1.41 0.46 -5.21 0.31 -0.82 -3.97 118.33 115.11 3du4 n VAL 57 Ca -0.06 -0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.39 3du4 n VAL 57 Cb 0.50 -2.10 0.23 0.00 -0.91 0.00 0.00 33.84 31.56 3du4 n VAL 57 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3du4 n HIS 58 N -4.23 0.44 -2.44 3.52 8.25 -1.26 -1.15 115.22 118.34 3du4 n HIS 58 Ca -0.24 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 3du4 n HIS 58 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 3du4 n HIS 58 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3du4 n GLY 59 N 1.46 -1.91 3.94 -1.41 0.00 -1.26 -4.79 105.19 101.22 3du4 n GLY 59 Ca 0.19 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.33 3du4 n GLY 59 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3du4 s HIS 60 N 0.00 3.33 -1.26 1.61 3.76 0.70 -4.38 115.29 119.06 3du4 s HIS 60 Ca 0.00 -0.07 -0.06 0.00 -0.15 0.00 0.00 55.06 54.78 3du4 s HIS 60 Cb 0.00 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 32.11 3du4 s HIS 60 CO 0.00 0.40 0.11 0.54 -0.85 0.00 0.00 174.74 174.95 3du4 n ARG 61 N -1.39 -0.82 -2.31 1.40 1.74 -1.26 -3.17 116.66 110.85 3du4 n ARG 61 Ca -0.08 0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.63 3du4 n ARG 61 Cb 0.57 -2.81 -0.02 0.00 -1.02 0.00 0.00 32.46 29.18 3du4 n ARG 61 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3du4 s LYS 62 N -6.80 4.21 0.15 5.56 2.47 -1.26 -4.85 119.74 119.22 3du4 s LYS 62 Ca 0.08 1.79 -0.17 0.00 -1.56 0.00 0.00 55.97 56.11 3du4 s LYS 62 Cb -0.05 -3.83 0.02 0.00 -1.46 0.00 0.00 37.83 32.51 3du4 s LYS 62 CO 0.84 -0.76 1.77 -0.22 0.16 0.00 0.00 175.35 177.15 3du4 h LYS 63 N 8.60 0.32 -0.53 4.03 3.64 -1.97 -1.25 116.57 129.41 3du4 h LYS 63 Ca -0.30 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.02 3du4 h LYS 63 Cb 1.12 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 3du4 h LYS 63 CO 0.97 0.21 0.16 0.93 -2.27 0.00 0.00 179.45 179.45 3du4 h GLU 64 N 0.33 0.79 -0.07 1.90 3.07 -1.99 -1.14 114.58 117.47 3du4 h GLU 64 Ca 0.14 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3du4 h GLU 64 Cb 0.05 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.83 3du4 h GLU 64 CO -0.10 0.69 -0.00 -0.07 -1.40 0.00 0.00 179.01 178.12 3du4 h LEU 65 N 0.77 0.13 -0.76 1.33 4.07 -1.66 -0.23 115.31 118.96 3du4 h LEU 65 Ca 0.18 -0.32 0.09 0.00 0.08 0.00 0.00 57.88 57.90 3du4 h LEU 65 Cb 0.23 -0.03 -0.07 0.00 1.08 0.00 0.00 40.66 41.86 3du4 h LEU 65 CO -0.01 0.42 0.41 0.44 -1.08 0.00 0.00 178.44 178.62 3du4 h ASP 66 N -0.17 0.57 0.01 -0.43 3.32 -1.15 -2.64 116.42 115.94 3du4 h ASP 66 Ca 0.02 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3du4 h ASP 66 Cb 0.36 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3du4 h ASP 66 CO 0.00 0.33 -0.01 0.44 -1.72 0.00 0.00 179.24 178.29 3du4 h ASP 67 N 0.70 -0.02 -1.03 6.45 3.32 -0.98 -2.28 116.42 122.58 3du4 h ASP 67 Ca 0.37 -0.26 0.28 0.00 0.02 0.00 0.00 57.03 57.44 3du4 h ASP 67 Cb 0.34 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.77 3du4 h ASP 67 CO -0.25 0.25 0.62 0.00 -1.72 0.00 0.00 179.24 178.14 3du4 h ALA 68 N 0.70 1.99 0.06 3.45 0.00 -0.95 0.50 119.26 125.02 3du4 h ALA 68 Ca -0.00 0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 3du4 h ALA 68 Cb 0.27 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3du4 h ALA 68 CO 0.00 -0.50 -1.09 0.82 0.00 0.00 0.00 179.25 178.49 3du4 h ILE 69 N 0.44 1.42 -0.61 0.00 2.04 -1.29 -2.73 117.51 116.79 3du4 h ILE 69 Ca 0.67 -2.67 -0.04 0.00 1.00 0.00 0.00 64.86 63.82 3du4 h ILE 69 Cb 1.49 2.64 -0.03 0.00 -0.74 0.00 0.00 36.82 40.19 3du4 h ILE 69 CO -0.47 0.79 0.23 0.11 0.00 0.00 0.00 178.15 178.81 3du4 h LYS 70 N 0.18 0.91 0.01 2.37 1.57 -0.83 -1.11 116.57 119.68 3du4 h LYS 70 Ca -0.11 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 3du4 h LYS 70 Cb 1.76 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 3du4 h LYS 70 CO 0.19 0.78 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.56 3du4 h LYS 71 N 0.85 -0.12 -0.39 3.15 3.64 -0.95 -2.73 116.57 120.01 3du4 h LYS 71 Ca 0.20 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3du4 h LYS 71 Cb 0.22 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3du4 h LYS 71 CO -0.01 -0.08 -0.01 0.37 -2.27 0.00 0.00 179.45 177.44 3du4 h GLN 72 N -0.13 0.64 -0.75 1.90 5.75 -1.41 -2.33 115.11 118.78 3du4 h GLN 72 Ca 0.02 -0.16 0.10 0.00 -0.15 0.00 0.00 58.65 58.46 3du4 h GLN 72 Cb 0.16 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.57 3du4 h GLN 72 CO -0.06 0.67 0.49 -0.07 -2.65 0.00 0.00 178.83 177.21 3du4 h LEU 73 N 0.60 0.59 0.00 -2.39 3.38 -1.00 -0.18 115.31 116.30 3du4 h LEU 73 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3du4 h LEU 73 Cb 0.40 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3du4 h LEU 73 CO 0.02 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.51 3du4 n GLY 74 N -1.46 -0.45 1.07 0.83 0.00 -0.88 -3.85 105.19 100.45 3du4 n GLY 74 Ca 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3du4 n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3du4 n LYS 75 N -0.90 0.00 -3.65 1.61 5.02 -0.15 -5.11 118.16 114.99 3du4 n LYS 75 Ca 0.09 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.35 3du4 n LYS 75 Cb 0.04 -0.35 -0.07 0.00 -0.02 0.00 0.00 35.03 34.63 3du4 n LYS 75 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3du4 s ILE 76 N -1.73 0.00 -0.13 -0.18 2.07 -0.80 -5.10 121.20 115.33 3du4 s ILE 76 Ca 0.00 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.02 3du4 s ILE 76 Cb 0.00 -1.00 -0.25 0.00 0.13 0.00 0.00 42.46 41.34 3du4 s ILE 76 CO 0.00 0.00 0.57 0.00 -1.91 0.00 0.00 174.94 173.60 3du4 h ALA 77 N 4.70 0.11 -2.90 1.50 0.00 -1.82 -3.43 119.26 117.42 3du4 h ALA 77 Ca -0.27 -0.89 -0.18 0.00 0.00 0.00 0.00 54.91 53.56 3du4 h ALA 77 Cb 1.18 0.35 -0.29 0.00 0.00 0.00 0.00 17.79 19.03 3du4 h ALA 77 CO 0.18 0.49 -0.45 -1.58 0.00 0.00 0.00 179.25 177.89 3du4 s HIS 78 N -2.36 -0.42 0.14 0.00 5.65 -1.26 -2.73 115.29 114.31 3du4 s HIS 78 Ca -0.21 0.95 0.05 0.00 0.25 0.00 0.00 55.06 56.09 3du4 s HIS 78 Cb 0.02 0.09 -0.04 0.00 -1.18 0.00 0.00 32.58 31.47 3du4 s HIS 78 CO 0.71 -0.28 -0.10 -1.54 -0.65 0.00 0.00 174.74 172.87 3du4 s SER 79 N 1.49 1.79 0.69 9.88 1.04 -1.26 -5.02 113.70 122.31 3du4 s SER 79 Ca -0.08 -1.00 -0.11 0.00 0.48 0.00 0.00 55.95 55.25 3du4 s SER 79 Cb -0.10 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.01 3du4 s SER 79 CO -0.10 -0.32 1.06 0.28 0.98 0.00 0.00 173.24 175.14 3du4 s THR 80 N -3.23 4.07 -0.61 2.02 -1.32 -1.26 -4.82 115.64 110.48 3du4 s THR 80 Ca 0.16 0.67 0.12 0.00 -1.21 0.00 0.00 61.69 61.43 3du4 s THR 80 Cb 0.02 -3.43 0.35 0.00 -1.51 0.00 0.00 72.50 67.93 3du4 s THR 80 CO 0.01 -0.88 1.28 0.18 -2.21 0.00 0.00 174.62 173.00 3du4 n LEU 81 N -3.10 3.12 -4.48 9.08 4.32 -1.26 -4.06 117.00 120.62 3du4 n LEU 81 Ca 0.07 -2.33 -0.43 0.00 -0.02 0.00 0.00 56.01 53.30 3du4 n LEU 81 Cb 0.54 -0.31 -0.05 0.00 -1.62 0.00 0.00 43.42 41.98 3du4 n LEU 81 CO 0.56 0.70 0.65 -0.76 -1.22 0.00 0.00 177.39 177.31 3du4 s LEU 82 N -1.60 4.41 0.00 2.23 1.02 -1.26 -3.83 118.68 119.65 3du4 s LEU 82 Ca 0.27 -0.67 0.00 0.00 0.02 0.00 0.00 54.13 53.76 3du4 s LEU 82 Cb 0.18 -2.63 0.00 0.00 0.02 0.00 0.00 46.19 43.76 3du4 s LEU 82 CO 0.12 -1.20 0.00 0.61 0.02 0.00 0.00 176.35 175.90 3du4 n GLY 83 N 5.19 0.83 0.09 -3.19 0.00 -1.26 -4.96 105.19 101.89 3du4 n GLY 83 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 3du4 n GLY 83 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3du4 n MET 84 N -2.09 0.02 -1.79 1.61 0.00 -1.25 -5.19 117.12 108.43 3du4 n MET 84 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 57.70 57.63 3du4 n MET 84 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 33.22 33.28 3du4 n MET 84 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 3du4 n THR 85 N -0.02 0.00 -4.25 3.17 5.66 -1.26 -4.14 114.28 113.45 3du4 n THR 85 Ca -0.00 -0.25 -0.18 0.00 -3.05 0.00 0.00 64.05 60.58 3du4 n THR 85 Cb 0.01 0.17 -0.08 0.00 -1.55 0.00 0.00 70.33 68.89 3du4 n THR 85 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3du4 s ASN 86 N -1.35 1.31 -0.02 1.09 6.03 -1.26 -4.93 114.94 115.81 3du4 s ASN 86 Ca 0.04 -1.66 -0.23 0.00 -1.03 0.00 0.00 52.86 49.98 3du4 s ASN 86 Cb -0.00 0.53 -0.16 0.00 -3.03 0.00 0.00 41.25 38.60 3du4 s ASN 86 CO 0.03 -1.04 1.05 0.58 -2.03 0.00 0.00 177.10 175.69 3du4 h VAL 87 N 2.22 0.67 -0.51 3.54 2.07 -2.00 -2.96 116.25 119.29 3du4 h VAL 87 Ca -0.27 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 3du4 h VAL 87 Cb 1.24 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3du4 h VAL 87 CO 0.40 0.14 0.07 -0.65 0.02 0.00 0.00 177.57 177.54 3du4 h PRO 88 N -0.84 0.80 -0.85 1.57 0.11 -1.94 -0.36 132.00 130.49 3du4 h PRO 88 Ca -0.04 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 3du4 h PRO 88 Cb 0.51 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.48 3du4 h PRO 88 CO 0.06 0.76 0.43 0.00 -0.21 0.00 0.00 178.00 179.05 3du4 h ALA 89 N 1.31 1.17 -0.16 -0.75 0.00 -1.81 0.70 119.26 119.72 3du4 h ALA 89 Ca 0.16 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3du4 h ALA 89 Cb 0.36 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3du4 h ALA 89 CO 0.01 0.65 -0.25 1.15 0.00 0.00 0.00 179.25 180.81 3du4 h THR 90 N 1.20 1.35 -0.21 0.00 2.02 -1.21 -1.96 112.91 114.10 3du4 h THR 90 Ca 0.29 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 66.00 3du4 h THR 90 Cb 0.08 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3du4 h THR 90 CO -0.04 0.44 0.13 1.56 0.37 0.00 0.00 175.52 177.98 3du4 h GLN 91 N 0.08 0.28 -0.84 6.66 4.20 -0.98 -2.78 115.11 121.74 3du4 h GLN 91 Ca 0.01 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3du4 h GLN 91 Cb 0.82 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.50 3du4 h GLN 91 CO 0.06 0.20 0.55 1.25 -0.67 0.00 0.00 178.83 180.22 3du4 h LEU 92 N 0.27 0.93 -0.70 1.46 5.85 -0.89 -2.01 115.31 120.22 3du4 h LEU 92 Ca 0.08 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3du4 h LEU 92 Cb -0.01 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 3du4 h LEU 92 CO -0.02 0.66 0.42 0.00 -0.34 0.00 0.00 178.44 179.17 3du4 h ALA 93 N 1.33 0.93 -0.50 1.25 0.00 -1.11 0.47 119.26 121.62 3du4 h ALA 93 Ca 0.32 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 3du4 h ALA 93 Cb -0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3du4 h ALA 93 CO -0.09 0.16 0.13 1.49 0.00 0.00 0.00 179.25 180.95 3du4 h GLU 94 N 0.81 0.79 -0.62 0.00 4.81 -1.21 -0.79 114.58 118.37 3du4 h GLU 94 Ca 0.29 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3du4 h GLU 94 Cb 0.09 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3du4 h GLU 94 CO -0.14 0.76 0.29 1.15 -0.73 0.00 0.00 179.01 180.34 3du4 h THR 95 N 0.68 1.22 -0.19 0.32 2.02 -0.61 -1.40 112.91 114.95 3du4 h THR 95 Ca 0.16 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 3du4 h THR 95 Cb 0.31 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3du4 h THR 95 CO -0.00 0.25 0.09 -0.07 0.37 0.00 0.00 175.52 176.17 3du4 h LEU 96 N 0.85 0.25 -0.93 2.58 3.38 0.03 -2.66 115.31 118.81 3du4 h LEU 96 Ca 0.21 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.18 3du4 h LEU 96 Cb 0.14 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 3du4 h LEU 96 CO -0.02 0.30 0.55 0.40 0.09 0.00 0.00 178.44 179.76 3du4 h ILE 97 N 0.18 0.86 -0.34 1.22 1.08 -1.01 -1.97 117.51 117.53 3du4 h ILE 97 Ca 0.07 -0.29 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 3du4 h ILE 97 Cb 0.12 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.79 3du4 h ILE 97 CO -0.01 0.15 0.05 -0.78 -0.69 0.00 0.00 178.15 176.88 3du4 h ASP 98 N 0.85 0.47 0.00 1.72 3.58 -0.91 -3.23 116.42 118.90 3du4 h ASP 98 Ca 0.47 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.85 3du4 h ASP 98 Cb 0.53 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.45 3du4 h ASP 98 CO -0.29 0.50 -1.06 2.30 -2.88 0.00 0.00 179.24 177.81 3du4 n ILE 99 N -4.32 0.00 -2.41 2.25 -5.35 -0.99 -4.96 119.36 103.57 3du4 n ILE 99 Ca 0.02 -0.04 -0.26 0.00 -0.27 0.00 0.00 62.75 62.19 3du4 n ILE 99 Cb 0.20 0.93 0.03 0.00 -1.74 0.00 0.00 39.64 39.06 3du4 n ILE 99 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3du4 s SER 100 N -3.09 5.59 0.01 7.28 1.04 -0.78 -4.83 113.70 118.91 3du4 s SER 100 Ca 0.07 0.70 -0.39 0.00 0.48 0.00 0.00 55.95 56.80 3du4 s SER 100 Cb 0.16 -1.69 -0.19 0.00 0.10 0.00 0.00 66.02 64.40 3du4 s SER 100 CO 0.87 -1.06 1.16 -2.65 0.98 0.00 0.00 173.24 172.54 3du4 n PRO 101 N -2.57 0.32 -0.29 4.02 -0.02 -1.26 -4.83 135.00 130.37 3du4 n PRO 101 Ca 0.04 0.12 0.31 0.00 -2.02 0.00 0.00 63.50 61.96 3du4 n PRO 101 Cb 0.58 -1.66 0.70 0.00 -0.02 0.00 0.00 33.50 33.10 3du4 n PRO 101 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3du4 h LYS 102 N 3.51 0.07 0.00 -0.52 1.63 -1.94 -0.50 116.57 118.81 3du4 h LYS 102 Ca -0.50 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 3du4 h LYS 102 Cb 1.40 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 3du4 h LYS 102 CO 0.69 0.04 0.00 1.63 -3.45 0.00 0.00 179.45 178.37 3du4 n LYS 103 N -4.28 0.04 -3.31 1.90 4.76 -1.26 -4.70 118.16 111.32 3du4 n LYS 103 Ca 0.24 0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 55.30 3du4 n LYS 103 Cb 1.11 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.72 3du4 n LYS 103 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3du4 s LEU 104 N -2.95 4.36 0.00 -0.35 1.43 -0.20 -4.03 118.68 116.94 3du4 s LEU 104 Ca 0.15 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 3du4 s LEU 104 Cb 0.18 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.91 3du4 s LEU 104 CO 0.49 -0.40 0.27 0.35 0.23 0.00 0.00 176.35 177.28 3du4 n THR 105 N 5.33 0.00 -4.76 5.49 -2.24 0.00 -4.84 114.28 113.25 3du4 n THR 105 Ca -0.07 -0.45 -0.25 0.00 -2.27 0.00 0.00 64.05 61.01 3du4 n THR 105 Cb 0.49 1.06 -0.15 0.00 -2.10 0.00 0.00 70.33 69.63 3du4 n THR 105 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3du4 s ARG 106 N -0.36 1.42 -0.17 -0.78 3.00 -0.70 -4.98 118.95 116.38 3du4 s ARG 106 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 55.73 54.96 3du4 s ARG 106 Cb 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 34.95 33.54 3du4 s ARG 106 CO 0.00 0.38 -0.14 0.08 0.00 0.00 0.00 175.30 175.62 3du4 s VAL 107 N -0.60 1.67 -0.23 3.52 1.01 -1.26 -2.20 120.40 122.31 3du4 s VAL 107 Ca 0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3du4 s VAL 107 Cb -0.08 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.71 3du4 s VAL 107 CO 0.00 0.39 -0.06 0.12 0.00 0.00 0.00 175.10 175.55 3du4 s PHE 108 N 1.43 3.00 0.51 5.22 2.19 -0.39 -4.99 117.98 124.95 3du4 s PHE 108 Ca 0.03 -1.32 -0.10 0.00 0.33 0.00 0.00 56.93 55.87 3du4 s PHE 108 Cb -0.14 -2.07 -0.05 0.00 -1.31 0.00 0.00 43.02 39.45 3du4 s PHE 108 CO -0.10 -0.67 0.88 0.71 1.83 0.00 0.00 175.22 177.87 3du4 s TYR 109 N 1.38 3.55 0.00 10.12 1.51 -1.26 -0.41 117.35 132.25 3du4 s TYR 109 Ca 0.03 1.09 0.00 0.00 -1.01 0.00 0.00 57.07 57.18 3du4 s TYR 109 Cb -0.15 -2.53 0.00 0.00 -0.11 0.00 0.00 41.96 39.17 3du4 s TYR 109 CO -0.05 -0.38 0.00 -1.13 -1.11 0.00 0.00 175.55 172.88 3du4 n SER 110 N -2.13 0.00 -0.10 2.29 3.41 -0.24 -4.80 113.62 112.06 3du4 n SER 110 Ca 0.03 -0.29 -0.10 0.00 -0.26 0.00 0.00 58.87 58.25 3du4 n SER 110 Cb 0.54 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 3du4 n SER 110 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3du4 n ASP 111 N -0.26 0.04 -3.94 4.04 9.92 -1.26 -0.46 116.55 124.63 3du4 n ASP 111 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.17 3du4 n ASP 111 Cb 0.00 0.97 -0.07 0.00 -0.64 0.00 0.00 41.12 41.38 3du4 n ASP 111 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3du4 s SER 112 N -5.51 0.02 0.24 -2.24 1.04 -1.26 -2.90 113.70 103.09 3du4 s SER 112 Ca -0.10 -0.84 -0.06 0.00 0.48 0.00 0.00 55.95 55.42 3du4 s SER 112 Cb 0.06 0.45 0.26 0.00 0.10 0.00 0.00 66.02 66.89 3du4 s SER 112 CO 0.83 -0.91 1.91 1.23 0.98 0.00 0.00 173.24 177.28 3du4 h GLY 113 N 2.51 1.36 0.80 7.32 0.00 -1.89 -1.74 103.07 111.44 3du4 h GLY 113 Ca -0.31 -0.50 0.05 0.00 0.00 0.00 0.00 47.33 46.57 3du4 h GLY 113 CO 0.47 0.47 0.52 0.00 0.00 0.00 0.00 176.54 178.00 3du4 h ALA 114 N 1.36 1.10 -0.60 3.60 0.00 -1.96 -1.12 119.26 121.65 3du4 h ALA 114 Ca 0.36 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 3du4 h ALA 114 Cb -0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3du4 h ALA 114 CO -0.09 0.30 -0.03 0.93 0.00 0.00 0.00 179.25 180.36 3du4 h GLU 115 N 0.98 1.07 -0.29 0.00 5.08 -1.77 0.21 114.58 119.86 3du4 h GLU 115 Ca 0.34 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3du4 h GLU 115 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3du4 h GLU 115 CO -0.14 1.06 -0.09 0.00 -1.00 0.00 0.00 179.01 178.84 3du4 h ALA 116 N 0.97 1.31 0.05 3.43 0.00 -1.09 0.55 119.26 124.49 3du4 h ALA 116 Ca 0.17 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.56 3du4 h ALA 116 Cb 0.60 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.28 3du4 h ALA 116 CO 0.04 0.46 -1.11 0.52 0.00 0.00 0.00 179.25 179.16 3du4 h MET 117 N 0.45 0.66 -1.00 0.00 2.86 -0.81 -1.99 114.93 115.09 3du4 h MET 117 Ca 0.09 -0.78 0.04 0.00 -2.06 0.00 0.00 59.70 56.99 3du4 h MET 117 Cb 0.43 0.24 -0.06 0.00 0.06 0.00 0.00 31.60 32.27 3du4 h MET 117 CO 0.02 1.34 0.65 1.49 1.06 0.00 0.00 176.91 181.48 3du4 h GLU 118 N 0.31 1.21 -0.36 1.72 4.57 -0.44 -0.97 114.58 120.62 3du4 h GLU 118 Ca -0.15 -0.07 -0.16 0.00 -1.18 0.00 0.00 59.36 57.80 3du4 h GLU 118 Cb 1.77 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 30.09 3du4 h GLU 118 CO 0.22 0.80 -0.39 0.82 -1.18 0.00 0.00 179.01 179.28 3du4 h ILE 119 N 1.24 1.28 -0.30 2.32 2.04 -0.87 -2.57 117.51 120.66 3du4 h ILE 119 Ca 0.40 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 3du4 h ILE 119 Cb 0.03 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3du4 h ILE 119 CO -0.13 0.52 0.17 0.00 0.00 0.00 0.00 178.15 178.70 3du4 h ALA 120 N 0.83 0.38 -0.65 1.87 0.00 -0.86 0.15 119.26 120.98 3du4 h ALA 120 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3du4 h ALA 120 Cb 0.97 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3du4 h ALA 120 CO 0.09 -0.10 0.41 -0.07 0.00 0.00 0.00 179.25 179.58 3du4 h LEU 121 N 0.37 0.77 -0.47 0.00 3.38 -1.22 -1.23 115.31 116.90 3du4 h LEU 121 Ca 0.11 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 3du4 h LEU 121 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3du4 h LEU 121 CO -0.02 0.58 -0.21 0.11 0.09 0.00 0.00 178.44 179.00 3du4 h LYS 122 N 0.88 0.98 -0.49 1.13 1.57 -1.23 -1.38 116.57 118.03 3du4 h LYS 122 Ca 0.24 -0.42 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3du4 h LYS 122 Cb -0.06 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 3du4 h LYS 122 CO -0.05 1.09 0.24 0.52 -0.57 0.00 0.00 179.45 180.68 3du4 h MET 123 N 0.83 0.45 -0.36 3.15 2.86 -0.84 -0.02 114.93 121.00 3du4 h MET 123 Ca 0.11 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.57 3du4 h MET 123 Cb 0.79 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 3du4 h MET 123 CO 0.07 0.30 -0.38 0.00 1.06 0.00 0.00 176.91 177.95 3du4 h ALA 124 N 1.27 0.64 -0.24 6.32 0.00 -1.07 -0.51 119.26 125.67 3du4 h ALA 124 Ca 0.22 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3du4 h ALA 124 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3du4 h ALA 124 CO -0.16 0.67 0.11 0.35 0.00 0.00 0.00 179.25 180.22 3du4 h PHE 125 N 0.71 0.35 0.00 0.00 3.57 -1.08 -3.27 116.94 117.22 3du4 h PHE 125 Ca 0.06 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.39 3du4 h PHE 125 Cb 0.96 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3du4 h PHE 125 CO 0.06 0.35 -0.73 0.37 -2.23 0.00 0.00 178.31 176.12 3du4 h GLN 126 N 0.25 0.00 -0.40 1.11 4.15 -0.87 -3.12 115.11 116.22 3du4 h GLN 126 Ca 0.08 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.58 3du4 h GLN 126 Cb 0.13 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.73 3du4 h GLN 126 CO -0.01 0.73 -0.24 -0.92 -1.93 0.00 0.00 178.83 176.46 3du4 h TYR 127 N 0.00 -0.64 -0.24 3.99 3.20 -1.14 0.28 116.97 122.43 3du4 h TYR 127 Ca -0.01 0.05 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 3du4 h TYR 127 Cb 1.32 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.92 3du4 h TYR 127 CO 0.00 -0.32 -0.45 -1.49 -1.64 0.00 0.00 178.16 174.26 3du4 h TRP 128 N -0.18 0.74 0.20 -3.82 4.06 -1.61 -1.36 115.95 113.98 3du4 h TRP 128 Ca 0.19 -0.23 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 3du4 h TRP 128 Cb 0.47 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 3du4 h TRP 128 CO -0.47 0.95 -0.10 -0.22 -3.56 0.00 0.00 178.44 175.05 3du4 h LYS 129 N 0.49 -0.26 -0.88 0.49 3.64 -1.44 0.34 116.57 118.95 3du4 h LYS 129 Ca 0.03 0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.66 3du4 h LYS 129 Cb 0.98 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.72 3du4 h LYS 129 CO 0.09 -0.14 0.25 -0.91 -2.27 0.00 0.00 179.45 176.48 3du4 h ASN 130 N -0.32 0.04 -0.52 4.20 4.21 -0.17 -2.42 115.58 120.60 3du4 h ASN 130 Ca -0.03 0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.67 3du4 h ASN 130 Cb 0.25 0.25 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3du4 h ASN 130 CO 0.05 -0.14 0.00 2.30 -1.29 0.00 0.00 177.43 178.35 3du4 n ILE 131 N -5.20 1.63 -1.52 2.81 -5.35 -0.54 -4.92 119.36 106.26 3du4 n ILE 131 Ca 0.21 -0.99 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 3du4 n ILE 131 Cb 0.68 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 3du4 n ILE 131 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3du4 n GLY 132 N 0.91 0.83 2.42 3.28 0.00 -0.91 -5.02 105.19 106.70 3du4 n GLY 132 Ca 0.21 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 3du4 n GLY 132 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3du4 n LYS 133 N -0.90 1.11 0.00 1.61 4.76 0.12 -4.96 118.16 119.90 3du4 n LYS 133 Ca 0.00 -3.72 0.14 0.00 -2.87 0.00 0.00 58.31 51.87 3du4 n LYS 133 Cb 0.37 -1.74 0.68 0.00 -1.84 0.00 0.00 35.03 32.49 3du4 n LYS 133 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3du4 n PRO 134 N 1.81 0.42 0.15 1.97 -0.04 -1.26 -3.20 135.00 134.84 3du4 n PRO 134 Ca 0.25 -0.06 0.02 0.00 -0.04 0.00 0.00 63.50 63.67 3du4 n PRO 134 Cb 0.46 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.54 3du4 n PRO 134 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3du4 h GLU 135 N 0.15 0.00 -5.75 0.54 3.07 -1.92 -3.41 114.58 107.27 3du4 h GLU 135 Ca 0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 3du4 h GLU 135 Cb 0.35 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.19 3du4 h GLU 135 CO 0.00 0.52 1.43 0.15 -1.40 0.00 0.00 179.01 179.71 3du4 s LYS 136 N -3.17 3.15 0.00 2.33 1.02 -1.19 -4.45 119.74 117.43 3du4 s LYS 136 Ca 0.02 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 54.77 3du4 s LYS 136 Cb 0.09 -5.32 0.00 0.00 -0.52 0.00 0.00 37.83 32.08 3du4 s LYS 136 CO 0.73 -3.03 0.22 0.00 -0.92 0.00 0.00 175.35 172.35 3du4 n GLN 137 N 8.54 0.51 -3.60 1.68 10.64 -0.65 -4.02 117.38 130.47 3du4 n GLN 137 Ca 0.43 -0.22 -0.22 0.00 -1.83 0.00 0.00 57.00 55.16 3du4 n GLN 137 Cb 0.47 -0.67 -0.01 0.00 -0.86 0.00 0.00 30.24 29.17 3du4 n GLN 137 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3du4 s LYS 138 N -0.14 3.40 0.21 2.61 1.02 0.12 -4.77 119.74 122.19 3du4 s LYS 138 Ca 0.00 -0.59 0.11 0.00 0.02 0.00 0.00 55.97 55.51 3du4 s LYS 138 Cb 0.00 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 3du4 s LYS 138 CO 0.00 0.22 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.38 3du4 s PHE 139 N -2.18 2.34 -0.03 3.18 0.40 -1.21 0.43 117.98 120.91 3du4 s PHE 139 Ca 0.39 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.42 3du4 s PHE 139 Cb -0.09 -1.13 -0.03 0.00 0.51 0.00 0.00 43.02 42.28 3du4 s PHE 139 CO 0.33 0.54 -0.13 0.42 0.70 0.00 0.00 175.22 177.08 3du4 s ILE 140 N -1.83 3.15 0.10 0.64 1.01 -0.64 -0.95 121.20 122.67 3du4 s ILE 140 Ca 0.23 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 3du4 s ILE 140 Cb -0.07 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3du4 s ILE 140 CO 0.11 0.52 0.07 0.00 0.00 0.00 0.00 174.94 175.64 3du4 s ALA 141 N -0.81 0.51 0.03 9.38 0.00 -0.44 -0.52 121.76 129.90 3du4 s ALA 141 Ca 0.13 -1.21 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 3du4 s ALA 141 Cb -0.11 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 3du4 s ALA 141 CO 0.02 -0.47 0.29 -1.64 0.00 0.00 0.00 175.76 173.96 3du4 s MET 142 N -3.97 3.59 0.65 0.00 1.00 -1.23 -0.38 119.30 118.95 3du4 s MET 142 Ca 0.15 -0.08 -0.17 0.00 0.00 0.00 0.00 55.69 55.60 3du4 s MET 142 Cb 0.07 -3.05 -0.01 0.00 0.00 0.00 0.00 34.83 31.84 3du4 s MET 142 CO -0.04 0.62 1.17 0.15 0.00 0.00 0.00 175.02 176.92 3du4 s LYS 143 N -1.90 2.72 -0.85 2.03 1.02 0.73 -1.97 119.74 121.52 3du4 s LYS 143 Ca 0.30 1.64 0.00 0.00 0.02 0.00 0.00 55.97 57.93 3du4 s LYS 143 Cb -0.13 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 3du4 s LYS 143 CO 0.18 -1.36 0.00 0.09 -0.92 0.00 0.00 175.35 173.34 3du4 n ASN 144 N -2.14 -5.53 -4.88 2.83 3.02 -1.15 -4.64 115.26 102.77 3du4 n ASN 144 Ca 0.12 0.20 -0.30 0.00 -0.03 0.00 0.00 54.58 54.57 3du4 n ASN 144 Cb 0.51 -3.74 -0.02 0.00 -0.61 0.00 0.00 39.78 35.91 3du4 n ASN 144 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3du4 s GLY 145 N -2.34 1.84 -0.12 7.41 0.00 -0.83 -4.37 107.32 108.91 3du4 s GLY 145 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 44.72 44.45 3du4 s GLY 145 CO 0.00 -0.00 0.29 -0.47 0.00 0.00 0.00 173.10 172.92 3du4 s TYR 146 N -2.57 -0.38 -0.02 1.90 6.14 -1.26 0.32 117.35 121.47 3du4 s TYR 146 Ca 0.52 0.89 0.03 0.00 0.64 0.00 0.00 57.07 59.15 3du4 s TYR 146 Cb -0.10 0.11 0.05 0.00 0.42 0.00 0.00 41.96 42.43 3du4 s TYR 146 CO 0.37 -0.24 0.94 0.72 0.64 0.00 0.00 175.55 177.97 3du4 n HIS 147 N 3.99 0.00 0.00 4.97 8.25 -1.26 -4.88 115.22 126.29 3du4 n HIS 147 Ca -0.23 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 3du4 n HIS 147 Cb 0.54 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.60 3du4 n HIS 147 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3du4 n GLY 148 N -0.28 0.79 0.00 -1.41 0.00 -1.26 -4.30 105.19 98.73 3du4 n GLY 148 Ca 0.03 -2.33 0.05 0.00 0.00 0.00 0.00 46.02 43.77 3du4 n GLY 148 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3du4 n ASP 149 N 0.00 2.46 -4.70 1.61 8.00 -1.26 -3.91 116.55 118.76 3du4 n ASP 149 Ca 0.00 -0.10 -0.30 0.00 0.71 0.00 0.00 54.79 55.10 3du4 n ASP 149 Cb 0.00 1.38 0.15 0.00 -0.02 0.00 0.00 41.12 42.63 3du4 n ASP 149 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3du4 s THR 150 N -2.57 2.58 0.33 -3.53 -4.23 -1.26 -4.67 115.64 102.29 3du4 s THR 150 Ca -0.03 0.19 0.09 0.00 -1.18 0.00 0.00 61.69 60.76 3du4 s THR 150 Cb 0.06 -2.60 0.07 0.00 1.34 0.00 0.00 72.50 71.38 3du4 s THR 150 CO 0.40 -0.25 1.77 0.40 -0.54 0.00 0.00 174.62 176.40 3du4 h ILE 151 N -1.65 1.28 0.01 2.99 1.08 -1.97 0.13 117.51 119.37 3du4 h ILE 151 Ca -0.50 -1.34 -0.00 0.00 -0.39 0.00 0.00 64.86 62.63 3du4 h ILE 151 Cb 1.28 1.61 0.00 0.00 -3.07 0.00 0.00 36.82 36.64 3du4 h ILE 151 CO 0.53 0.40 -0.00 1.23 -0.69 0.00 0.00 178.15 179.61 3du4 h GLY 152 N 1.12 -0.01 1.42 5.37 0.00 -1.93 -0.81 103.07 108.23 3du4 h GLY 152 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 3du4 h GLY 152 CO 0.05 -0.00 0.20 0.00 0.00 0.00 0.00 176.54 176.79 3du4 h ALA 153 N 0.62 1.38 -0.59 3.60 0.00 -1.78 -1.85 119.26 120.62 3du4 h ALA 153 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3du4 h ALA 153 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3du4 h ALA 153 CO 0.00 0.47 0.21 0.28 0.00 0.00 0.00 179.25 180.20 3du4 h VAL 154 N 0.74 1.24 0.00 0.00 2.07 -0.73 -1.89 116.25 117.67 3du4 h VAL 154 Ca 0.18 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3du4 h VAL 154 Cb 0.16 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3du4 h VAL 154 CO -0.02 0.30 0.00 -1.20 0.02 0.00 0.00 177.57 176.67 3du4 n SER 155 N -4.43 0.12 0.00 0.57 7.64 -0.31 -1.03 113.62 116.17 3du4 n SER 155 Ca 0.03 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.47 3du4 n SER 155 Cb 0.19 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 3du4 n SER 155 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3du4 n VAL 156 N -1.66 0.55 -4.00 0.44 3.14 -1.08 -4.71 118.33 111.01 3du4 n VAL 156 Ca -0.00 -0.63 -0.22 0.00 -2.96 0.00 0.00 64.34 60.53 3du4 n VAL 156 Cb 0.01 0.79 -0.03 0.00 -1.06 0.00 0.00 33.84 33.55 3du4 n VAL 156 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3du4 s GLY 157 N -0.55 1.31 -0.37 7.55 0.00 -0.20 -4.69 107.32 110.37 3du4 s GLY 157 Ca 0.00 -1.25 0.13 0.00 0.00 0.00 0.00 44.72 43.60 3du4 s GLY 157 CO 0.00 -1.27 1.05 -1.14 0.00 0.00 0.00 173.10 171.74 3du4 n SER 158 N -1.25 -0.17 -4.28 1.64 3.41 0.15 -4.95 113.62 108.17 3du4 n SER 158 Ca -0.09 -2.84 -0.40 0.00 -0.26 0.00 0.00 58.87 55.29 3du4 n SER 158 Cb 0.57 0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 64.66 3du4 n SER 158 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3du4 s ILE 159 N -1.56 4.27 -0.66 -1.33 1.01 -1.24 -2.95 121.20 118.73 3du4 s ILE 159 Ca 0.27 -1.31 0.25 0.00 0.00 0.00 0.00 60.65 59.86 3du4 s ILE 159 Cb 0.40 -3.57 0.27 0.00 0.01 0.00 0.00 42.46 39.56 3du4 s ILE 159 CO -0.03 -0.46 1.75 -1.84 0.00 0.00 0.00 174.94 174.36 3du4 n GLU 160 N 4.93 0.22 -0.07 2.79 0.28 -1.26 -1.07 120.64 126.45 3du4 n GLU 160 Ca -0.10 0.28 -0.08 0.00 -0.16 0.00 0.00 57.16 57.10 3du4 n GLU 160 Cb 0.43 -1.81 -0.01 0.00 1.43 0.00 0.00 31.44 31.49 3du4 n GLU 160 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3du4 h LEU 161 N 0.00 0.16 0.19 -1.84 6.46 -2.02 -3.00 115.31 115.27 3du4 h LEU 161 Ca 0.00 0.02 -0.31 0.00 -0.12 0.00 0.00 57.88 57.47 3du4 h LEU 161 Cb 0.58 -0.01 0.02 0.00 -0.73 0.00 0.00 40.66 40.53 3du4 h LEU 161 CO 0.00 0.13 -1.40 -0.26 -0.62 0.00 0.00 178.44 176.29 3du4 h PHE 162 N 0.26 0.74 0.00 1.25 0.05 -1.83 -3.44 116.94 113.97 3du4 h PHE 162 Ca 0.12 -0.54 -0.17 0.00 3.82 0.00 0.00 57.97 61.19 3du4 h PHE 162 Cb 0.06 -0.03 -0.03 0.00 2.00 0.00 0.00 35.95 37.95 3du4 h PHE 162 CO -0.11 1.44 -1.66 0.72 -0.18 0.00 0.00 178.31 178.52 3du4 n HIS 163 N -3.62 0.00 -0.31 -0.55 8.25 -0.24 -4.69 115.22 114.06 3du4 n HIS 163 Ca -0.14 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.47 3du4 n HIS 163 Cb 1.07 -0.46 0.32 0.00 1.12 0.00 0.00 29.99 32.04 3du4 n HIS 163 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3du4 h HIS 164 N 0.00 0.34 0.00 4.41 2.76 -1.71 0.16 115.15 121.12 3du4 h HIS 164 Ca -0.26 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 57.96 3du4 h HIS 164 Cb 1.48 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.44 3du4 h HIS 164 CO 0.01 -0.26 -0.01 -0.24 -1.30 0.00 0.00 177.93 176.12 3du4 h VAL 165 N 0.17 0.53 -0.34 5.26 3.04 -1.84 -2.86 116.25 120.21 3du4 h VAL 165 Ca 0.59 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 66.22 3du4 h VAL 165 Cb 1.23 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3du4 h VAL 165 CO -0.70 0.01 0.00 -1.22 -1.01 0.00 0.00 177.57 174.65 3du4 n TYR 166 N -3.83 1.00 -0.23 3.17 4.02 0.57 -4.58 117.16 117.29 3du4 n TYR 166 Ca -0.03 -0.37 0.04 0.00 -0.01 0.00 0.00 57.90 57.54 3du4 n TYR 166 Cb 0.10 -0.24 0.29 0.00 -0.02 0.00 0.00 39.34 39.46 3du4 n TYR 166 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3du4 h GLY 167 N 4.64 1.09 2.00 2.72 0.00 -1.64 -1.52 103.07 110.36 3du4 h GLY 167 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3du4 h GLY 167 CO 0.20 0.29 0.00 -2.55 0.00 0.00 0.00 176.54 174.48 3du4 h PRO 168 N 0.91 0.00 0.00 4.80 0.11 -1.89 -2.59 132.00 133.34 3du4 h PRO 168 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3du4 h PRO 168 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3du4 h PRO 168 CO -0.11 0.00 -0.98 1.28 -0.21 0.00 0.00 178.00 177.98 3du4 n LEU 169 N -2.90 0.69 -4.80 2.35 4.32 -0.58 -4.99 117.00 111.09 3du4 n LEU 169 Ca -0.01 -0.19 -0.37 0.00 -0.02 0.00 0.00 56.01 55.41 3du4 n LEU 169 Cb 0.16 -0.08 -0.06 0.00 -1.62 0.00 0.00 43.42 41.81 3du4 n LEU 169 CO 0.21 0.13 0.46 -0.04 -1.22 0.00 0.00 177.39 176.94 3du4 s MET 170 N -3.11 4.40 0.92 3.23 -1.94 -0.98 -4.98 119.30 116.85 3du4 s MET 170 Ca 0.06 1.02 -0.14 0.00 -1.71 0.00 0.00 55.69 54.92 3du4 s MET 170 Cb 0.16 -3.02 0.16 0.00 2.01 0.00 0.00 34.83 34.13 3du4 s MET 170 CO 0.82 0.45 1.24 -0.59 -0.01 0.00 0.00 175.02 176.93 3du4 s PHE 171 N -1.38 2.11 -0.16 -0.03 -0.71 -1.26 -4.98 117.98 111.56 3du4 s PHE 171 Ca 0.41 0.55 -0.29 0.00 -1.04 0.00 0.00 56.93 56.55 3du4 s PHE 171 Cb -0.19 -3.77 -0.01 0.00 -1.21 0.00 0.00 43.02 37.83 3du4 s PHE 171 CO 0.23 -2.40 1.27 -2.00 -1.34 0.00 0.00 175.22 170.98 3du4 s GLU 172 N -5.67 4.23 0.04 1.99 2.56 -1.26 -4.96 118.70 115.63 3du4 s GLU 172 Ca 0.68 1.67 0.02 0.00 0.00 0.00 0.00 54.97 57.35 3du4 s GLU 172 Cb -0.08 -3.77 -0.02 0.00 2.00 0.00 0.00 34.13 32.26 3du4 s GLU 172 CO 0.52 -0.71 -0.08 0.45 -0.56 0.00 0.00 175.26 174.88 3du4 s SER 173 N 2.00 0.86 0.01 -1.70 0.15 -1.26 -3.30 113.70 110.46 3du4 s SER 173 Ca 0.55 -0.57 -0.01 0.00 0.70 0.00 0.00 55.95 56.63 3du4 s SER 173 Cb -0.22 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 3du4 s SER 173 CO 0.15 -0.22 0.12 -0.31 1.20 0.00 0.00 173.24 174.18 3du4 s TYR 174 N -1.47 3.36 -0.29 3.44 1.51 -0.13 -4.97 117.35 118.81 3du4 s TYR 174 Ca -0.09 0.23 -0.08 0.00 -1.01 0.00 0.00 57.07 56.12 3du4 s TYR 174 Cb -0.09 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 3du4 s TYR 174 CO 0.00 0.58 0.10 0.15 -1.11 0.00 0.00 175.55 175.27 3du4 s LYS 175 N -1.95 3.36 0.01 -0.62 -0.14 -1.26 -1.33 119.74 117.81 3du4 s LYS 175 Ca 0.26 -0.69 -0.11 0.00 -1.36 0.00 0.00 55.97 54.07 3du4 s LYS 175 Cb -0.12 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.55 3du4 s LYS 175 CO 0.18 -0.35 0.35 0.00 -0.76 0.00 0.00 175.35 174.77 3du4 s ALA 176 N 1.58 3.75 0.20 5.17 0.00 0.49 -4.85 121.76 128.10 3du4 s ALA 176 Ca 0.05 -0.37 -0.31 0.00 0.00 0.00 0.00 51.96 51.33 3du4 s ALA 176 Cb -0.16 -2.25 -0.10 0.00 0.00 0.00 0.00 23.12 20.60 3du4 s ALA 176 CO 0.04 0.55 1.49 -2.14 0.00 0.00 0.00 175.76 175.70 3du4 s PRO 177 N -1.44 4.25 0.32 0.00 0.02 -1.26 -0.20 135.00 136.69 3du4 s PRO 177 Ca 0.26 2.30 0.08 0.00 0.02 0.00 0.00 61.00 63.66 3du4 s PRO 177 Cb -0.15 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 3du4 s PRO 177 CO 0.14 -0.50 0.18 0.42 -0.33 0.00 0.00 177.00 176.92 3du4 s ILE 178 N 0.60 3.43 0.14 2.83 1.01 -1.26 -4.85 121.20 123.10 3du4 s ILE 178 Ca 0.64 -1.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.42 3du4 s ILE 178 Cb -0.42 -3.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.89 3du4 s ILE 178 CO 0.37 -0.22 1.28 -2.84 0.00 0.00 0.00 174.94 173.53 3du4 s PRO 179 N -3.88 4.40 -0.55 2.79 0.02 -1.26 -4.97 135.00 131.55 3du4 s PRO 179 Ca 0.37 1.95 0.04 0.00 0.02 0.00 0.00 61.00 63.39 3du4 s PRO 179 Cb -0.05 -3.26 0.16 0.00 0.02 0.00 0.00 34.50 31.38 3du4 s PRO 179 CO 0.24 -0.27 0.38 -0.47 -0.33 0.00 0.00 177.00 176.55 3du4 s TYR 180 N 0.58 2.47 0.34 6.54 5.04 -1.26 -4.90 117.35 126.16 3du4 s TYR 180 Ca 0.58 -2.83 0.04 0.00 -2.44 0.00 0.00 57.07 52.42 3du4 s TYR 180 Cb -0.34 -2.00 0.66 0.00 0.35 0.00 0.00 41.96 40.63 3du4 s TYR 180 CO 0.33 -0.69 1.96 0.28 -1.34 0.00 0.00 175.55 176.10 3du4 h VAL 181 N 4.70 1.07 0.35 3.14 2.07 -1.93 -3.02 116.25 122.63 3du4 h VAL 181 Ca 0.14 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3du4 h VAL 181 Cb 0.84 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3du4 h VAL 181 CO 0.56 0.15 -0.21 0.22 0.02 0.00 0.00 177.57 178.32 3du4 h TYR 182 N 0.85 -0.55 -2.03 1.57 -0.00 -1.95 -2.66 116.97 112.20 3du4 h TYR 182 Ca 0.31 -0.01 -0.79 0.00 -0.00 0.00 0.00 58.73 58.24 3du4 h TYR 182 Cb 0.15 0.19 -0.23 0.00 -0.00 0.00 0.00 36.73 36.84 3du4 h TYR 182 CO -0.00 -0.31 1.41 2.89 -0.00 0.00 0.00 178.16 182.15 3du4 n ARG 183 N -3.56 4.96 0.00 1.82 0.00 -1.25 -4.87 116.66 113.77 3du4 n ARG 183 Ca -0.06 -4.27 0.00 0.00 -0.00 0.00 0.00 57.85 53.51 3du4 n ARG 183 Cb 0.21 -2.55 0.00 0.00 -0.00 0.00 0.00 32.46 30.12 3du4 n ARG 183 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3du4 n SER 184 N 0.89 0.00 0.00 2.89 2.88 -1.00 -4.98 113.62 114.29 3du4 n SER 184 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 3du4 n SER 184 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 3du4 n SER 184 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3du4 n GLU 185 N 0.00 0.00 0.04 -1.46 0.28 -1.26 -4.82 120.64 113.41 3du4 n GLU 185 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 3du4 n GLU 185 Cb 0.00 -0.24 -0.09 0.00 1.43 0.00 0.00 31.44 32.54 3du4 n GLU 185 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3du4 h SER 186 N 0.00 0.00 -0.08 -1.84 4.64 -1.99 -3.48 113.55 110.80 3du4 h SER 186 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3du4 h SER 186 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3du4 h SER 186 CO 0.00 0.79 -0.03 0.61 -0.87 0.00 0.00 176.83 177.33 3du4 n GLY 187 N 1.41 0.41 3.62 -0.77 0.00 -1.26 -5.00 105.19 103.60 3du4 n GLY 187 Ca -0.08 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 3du4 n GLY 187 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3du4 s ASP 188 N -2.15 5.90 0.28 1.61 2.15 -1.26 -4.98 116.67 118.21 3du4 s ASP 188 Ca 0.00 0.05 -0.03 0.00 0.43 0.00 0.00 52.55 53.00 3du4 s ASP 188 Cb 0.00 -2.06 0.39 0.00 -0.30 0.00 0.00 42.92 40.95 3du4 s ASP 188 CO 0.00 0.06 1.94 -0.65 -0.17 0.00 0.00 175.17 176.35 3du4 h PRO 189 N 7.54 1.13 -0.23 4.34 0.11 -1.95 -0.51 132.00 142.43 3du4 h PRO 189 Ca -0.38 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3du4 h PRO 189 Cb 1.17 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3du4 h PRO 189 CO 0.64 0.77 -0.13 -0.44 -0.21 0.00 0.00 178.00 178.63 3du4 h ASP 190 N 1.16 0.52 -0.35 -2.05 5.19 -1.94 -0.46 116.42 118.48 3du4 h ASP 190 Ca 0.31 -0.42 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 3du4 h ASP 190 Cb -0.10 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.25 3du4 h ASP 190 CO -0.06 0.83 0.19 -0.33 -3.12 0.00 0.00 179.24 176.75 3du4 h GLU 191 N 0.21 0.49 -0.25 3.56 5.08 -1.95 -1.70 114.58 120.02 3du4 h GLU 191 Ca 0.05 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3du4 h GLU 191 Cb 0.64 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3du4 h GLU 191 CO 0.04 0.41 -0.02 0.00 -1.00 0.00 0.00 179.01 178.43 3du4 h ARG 193 N 0.22 0.02 -0.07 0.00 2.43 -1.08 -3.16 114.38 112.74 3du4 h ARG 193 Ca 0.07 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.06 3du4 h ARG 193 Cb 0.46 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3du4 h ARG 193 CO 0.02 0.01 -0.70 -0.44 -1.51 0.00 0.00 179.97 177.35 3du4 h ASP 194 N 0.02 0.38 0.00 -3.80 3.32 -1.19 -1.60 116.42 113.55 3du4 h ASP 194 Ca 0.18 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3du4 h ASP 194 Cb 0.27 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3du4 h ASP 194 CO -0.36 0.97 0.00 1.67 -1.72 0.00 0.00 179.24 179.80 3du4 n GLN 195 N -3.83 0.47 0.00 3.56 -0.06 -0.71 -1.80 117.38 115.01 3du4 n GLN 195 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 3du4 n GLN 195 Cb 0.69 -1.24 0.00 0.00 -4.06 0.00 0.00 30.24 25.63 3du4 n GLN 195 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3du4 n LEU 197 N 0.41 0.00 -0.29 1.69 4.77 -0.60 -1.93 117.00 121.05 3du4 n LEU 197 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3du4 n LEU 197 Cb 0.15 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.45 3du4 n LEU 197 CO 0.00 0.00 1.10 -0.09 -1.33 0.00 0.00 177.39 177.07 3du4 h ARG 198 N 0.00 0.63 0.00 3.23 2.43 -1.61 0.84 114.38 119.90 3du4 h ARG 198 Ca 0.00 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.94 3du4 h ARG 198 Cb 0.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 3du4 h ARG 198 CO 0.00 0.41 -0.86 0.93 -1.51 0.00 0.00 179.97 178.95 3du4 h GLU 199 N 0.64 0.13 0.37 0.20 5.08 -1.67 -2.58 114.58 116.76 3du4 h GLU 199 Ca 0.44 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3du4 h GLU 199 Cb 0.58 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3du4 h GLU 199 CO -0.34 0.91 -0.25 1.25 -1.00 0.00 0.00 179.01 179.57 3du4 h LEU 200 N 0.07 -0.65 -0.98 1.33 6.46 -1.57 -2.34 115.31 117.62 3du4 h LEU 200 Ca -0.03 0.05 0.14 0.00 -0.12 0.00 0.00 57.88 57.91 3du4 h LEU 200 Cb 1.48 0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 41.53 3du4 h LEU 200 CO 0.12 -0.40 0.61 0.00 -0.62 0.00 0.00 178.44 178.16 3du4 h ALA 201 N -0.04 1.51 -0.29 1.25 0.00 -0.87 -0.05 119.26 120.77 3du4 h ALA 201 Ca -0.03 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3du4 h ALA 201 Cb 0.52 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3du4 h ALA 201 CO 0.02 0.14 -0.48 1.96 0.00 0.00 0.00 179.25 180.89 3du4 h GLN 202 N 0.91 0.78 -0.40 0.00 1.08 -1.41 0.29 115.11 116.37 3du4 h GLN 202 Ca 0.51 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3du4 h GLN 202 Cb 0.58 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 3du4 h GLN 202 CO -0.30 1.08 0.26 1.25 -0.95 0.00 0.00 178.83 180.17 3du4 h LEU 203 N 0.62 0.46 -0.02 1.46 6.46 -0.84 -2.65 115.31 120.80 3du4 h LEU 203 Ca 0.03 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3du4 h LEU 203 Cb 1.05 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.87 3du4 h LEU 203 CO 0.10 0.35 0.00 -0.07 -0.62 0.00 0.00 178.44 178.20 3du4 h LEU 204 N 0.53 0.03 -1.32 2.25 3.38 -0.74 -2.39 115.31 117.05 3du4 h LEU 204 Ca 0.14 -0.26 0.24 0.00 0.09 0.00 0.00 57.88 58.10 3du4 h LEU 204 Cb -0.05 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.60 3du4 h LEU 204 CO -0.03 0.28 0.65 -0.08 0.09 0.00 0.00 178.44 179.34 3du4 h GLU 205 N -0.22 0.44 0.00 1.13 4.57 -0.40 -0.34 114.58 119.76 3du4 h GLU 205 Ca 0.01 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 3du4 h GLU 205 Cb 0.26 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3du4 h GLU 205 CO 0.00 0.29 -0.97 0.93 -1.18 0.00 0.00 179.01 178.08 3du4 h GLU 206 N 0.46 0.00 0.00 1.92 5.08 -1.26 -3.42 114.58 117.35 3du4 h GLU 206 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 3du4 h GLU 206 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3du4 h GLU 206 CO -0.30 0.35 0.00 0.72 -1.00 0.00 0.00 179.01 178.78 3du4 n HIS 207 N -3.02 0.00 -0.25 4.33 8.25 -0.89 -4.89 115.22 118.76 3du4 n HIS 207 Ca -0.04 0.00 0.28 0.00 -0.26 0.00 0.00 57.72 57.70 3du4 n HIS 207 Cb 0.77 0.00 0.66 0.00 1.12 0.00 0.00 29.99 32.54 3du4 n HIS 207 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3du4 h HIS 208 N 0.00 0.20 0.00 4.41 2.07 -1.27 0.20 115.15 120.76 3du4 h HIS 208 Ca 0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 3du4 h HIS 208 Cb 0.41 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 30.33 3du4 h HIS 208 CO 0.00 0.03 0.00 0.39 -3.07 0.00 0.00 177.93 175.28 3du4 n GLU 209 N -4.35 0.09 -0.04 5.12 1.02 -1.26 -1.80 120.64 119.41 3du4 n GLU 209 Ca 0.21 0.47 0.06 0.00 -0.02 0.00 0.00 57.16 57.89 3du4 n GLU 209 Cb 0.97 -1.72 0.07 0.00 -0.02 0.00 0.00 31.44 30.74 3du4 n GLU 209 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3du4 n GLU 210 N -1.89 1.10 -4.04 3.49 1.02 0.71 -3.79 120.64 117.23 3du4 n GLU 210 Ca 0.01 -1.38 -0.34 0.00 -0.02 0.00 0.00 57.16 55.43 3du4 n GLU 210 Cb 0.10 -1.24 -0.15 0.00 -0.02 0.00 0.00 31.44 30.13 3du4 n GLU 210 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3du4 s ILE 211 N -0.98 2.49 0.07 -3.67 1.01 -0.75 0.14 121.20 119.51 3du4 s ILE 211 Ca 0.16 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 3du4 s ILE 211 Cb 0.10 -2.17 -0.23 0.00 0.01 0.00 0.00 42.46 40.18 3du4 s ILE 211 CO 0.15 0.36 1.19 0.00 0.00 0.00 0.00 174.94 176.64 3du4 h ALA 212 N 7.97 0.14 -2.95 9.38 0.00 -0.16 -3.44 119.26 130.19 3du4 h ALA 212 Ca -0.39 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 53.83 3du4 h ALA 212 Cb 1.12 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.84 3du4 h ALA 212 CO 0.60 0.63 0.15 0.00 0.00 0.00 0.00 179.25 180.63 3du4 s ALA 213 N -3.35 -1.43 -0.04 0.00 0.00 -1.24 -1.88 121.76 113.82 3du4 s ALA 213 Ca -0.10 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.25 3du4 s ALA 213 Cb 0.07 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 3du4 s ALA 213 CO 0.91 -0.76 -0.25 -1.17 0.00 0.00 0.00 175.76 174.49 3du4 s LEU 214 N -2.77 2.06 -0.11 0.00 0.20 0.60 -1.63 118.68 117.03 3du4 s LEU 214 Ca 0.02 -0.49 0.01 0.00 0.69 0.00 0.00 54.13 54.36 3du4 s LEU 214 Cb -0.01 -1.34 -0.02 0.00 -0.43 0.00 0.00 46.19 44.39 3du4 s LEU 214 CO -0.12 0.27 -0.13 -0.55 -0.29 0.00 0.00 176.35 175.53 3du4 s SER 215 N -0.30 4.09 -0.14 3.68 0.15 0.32 -0.30 113.70 121.20 3du4 s SER 215 Ca 0.01 -0.27 -0.13 0.00 0.70 0.00 0.00 55.95 56.26 3du4 s SER 215 Cb -0.12 -1.41 0.04 0.00 -1.71 0.00 0.00 66.02 62.82 3du4 s SER 215 CO 0.02 0.22 0.38 -0.51 1.20 0.00 0.00 173.24 174.55 3du4 s ILE 216 N 0.02 0.00 0.43 6.45 2.07 -0.71 -3.56 121.20 125.91 3du4 s ILE 216 Ca -0.04 -0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 58.95 3du4 s ILE 216 Cb -0.14 -0.53 -0.08 0.00 0.13 0.00 0.00 42.46 41.84 3du4 s ILE 216 CO 0.04 -0.00 1.26 -1.61 -1.91 0.00 0.00 174.94 172.72 3du4 s GLU 217 N 0.19 3.84 -0.67 3.50 2.02 -1.26 -0.78 118.70 125.55 3du4 s GLU 217 Ca -0.00 2.03 -0.25 0.00 0.02 0.00 0.00 54.97 56.77 3du4 s GLU 217 Cb -0.03 -2.61 0.05 0.00 0.10 0.00 0.00 34.13 31.64 3du4 s GLU 217 CO 0.01 -0.55 1.10 0.45 0.02 0.00 0.00 175.26 176.28 3du4 s SER 218 N -0.96 6.21 0.00 -0.19 0.15 -0.58 -4.46 113.70 113.86 3du4 s SER 218 Ca 0.60 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.63 3du4 s SER 218 Cb -0.35 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 3du4 s SER 218 CO 0.44 -1.57 0.00 0.23 1.20 0.00 0.00 173.24 173.54 3du4 n MET 219 N 8.38 0.00 -3.97 5.44 2.81 -1.26 -4.80 117.12 123.72 3du4 n MET 219 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 3du4 n MET 219 Cb 0.47 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.81 3du4 n MET 219 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3du4 s VAL 220 N -0.01 0.55 -0.17 2.03 1.01 -1.26 -0.35 120.40 122.19 3du4 s VAL 220 Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 3du4 s VAL 220 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 3du4 s VAL 220 CO 0.00 0.26 0.79 -1.10 0.00 0.00 0.00 175.10 175.06 3du4 s GLN 221 N 1.47 4.29 -0.14 2.72 -0.21 -0.71 -4.86 119.66 122.22 3du4 s GLN 221 Ca -0.02 0.94 -0.10 0.00 0.02 0.00 0.00 55.36 56.20 3du4 s GLN 221 Cb -0.13 -3.57 -0.03 0.00 1.00 0.00 0.00 33.01 30.27 3du4 s GLN 221 CO -0.03 -0.30 -0.19 0.41 -2.12 0.00 0.00 175.29 173.05 3du4 n GLY 222 N 3.51 -0.85 0.21 3.09 0.00 -1.26 -1.51 105.19 108.37 3du4 n GLY 222 Ca 0.03 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.02 3du4 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3du4 h ALA 223 N -1.07 1.00 0.00 4.61 0.00 -1.94 -1.32 119.26 120.54 3du4 h ALA 223 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3du4 h ALA 223 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3du4 h ALA 223 CO 0.00 0.00 -0.24 0.45 0.00 0.00 0.00 179.25 179.46 3du4 n SER 224 N -2.55 0.40 0.00 0.00 2.88 -1.26 -4.86 113.62 108.23 3du4 n SER 224 Ca -0.00 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 3du4 n SER 224 Cb 0.15 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 3du4 n SER 224 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3du4 n GLY 225 N 1.44 1.26 3.56 0.46 0.00 -0.53 -4.80 105.19 106.58 3du4 n GLY 225 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3du4 n GLY 225 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3du4 n MET 226 N 0.00 -2.96 -3.08 1.61 0.00 -0.67 -4.74 117.12 107.28 3du4 n MET 226 Ca 0.00 0.64 -0.43 0.00 0.00 0.00 0.00 57.70 57.91 3du4 n MET 226 Cb 0.00 -5.01 -0.06 0.00 0.00 0.00 0.00 33.22 28.15 3du4 n MET 226 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3du4 s ILE 227 N -3.52 4.81 -0.01 2.02 1.01 -0.57 -4.61 121.20 120.33 3du4 s ILE 227 Ca 0.29 0.35 -0.24 0.00 0.00 0.00 0.00 60.65 61.04 3du4 s ILE 227 Cb -0.08 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3du4 s ILE 227 CO 0.81 -0.53 0.74 -0.69 0.00 0.00 0.00 174.94 175.27 3du4 s VAL 228 N 2.89 4.90 0.36 2.92 1.01 -1.26 -1.74 120.40 129.47 3du4 s VAL 228 Ca 0.25 1.55 -0.26 0.00 0.00 0.00 0.00 61.98 63.51 3du4 s VAL 228 Cb -0.14 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 3du4 s VAL 228 CO 0.18 0.30 1.08 -0.04 0.00 0.00 0.00 175.10 176.63 3du4 s MET 229 N 0.40 4.32 0.56 2.72 -1.94 0.52 -4.91 119.30 120.97 3du4 s MET 229 Ca 0.38 1.67 -0.19 0.00 -1.71 0.00 0.00 55.69 55.84 3du4 s MET 229 Cb -0.19 -2.80 -0.05 0.00 2.01 0.00 0.00 34.83 33.80 3du4 s MET 229 CO 0.21 -0.04 1.16 -1.25 -0.01 0.00 0.00 175.02 175.09 3du4 s PRO 230 N -2.08 3.23 -0.04 2.03 0.04 -1.26 -4.90 135.00 132.02 3du4 s PRO 230 Ca 0.53 1.69 -0.37 0.00 0.04 0.00 0.00 61.00 62.89 3du4 s PRO 230 Cb -0.27 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.13 3du4 s PRO 230 CO 0.34 -0.97 1.57 0.39 0.04 0.00 0.00 177.00 178.38 3du4 n GLU 231 N -1.38 1.44 0.00 4.56 1.02 -1.26 -1.95 120.64 123.07 3du4 n GLU 231 Ca 0.12 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3du4 n GLU 231 Cb 0.50 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 3du4 n GLU 231 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3du4 n GLY 232 N 3.43 0.52 0.22 0.62 0.00 -1.26 -4.95 105.19 103.77 3du4 n GLY 232 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 3du4 n GLY 232 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3du4 h TYR 233 N 0.00 -0.45 -0.93 1.61 5.03 -1.75 -2.23 116.97 118.24 3du4 h TYR 233 Ca 0.00 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.35 3du4 h TYR 233 Cb 0.00 0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.37 3du4 h TYR 233 CO 0.00 -0.14 0.61 1.25 -1.32 0.00 0.00 178.16 178.56 3du4 h LEU 234 N -0.76 0.98 -0.82 2.82 6.46 -1.93 -0.30 115.31 121.76 3du4 h LEU 234 Ca -0.05 -0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.64 3du4 h LEU 234 Cb 0.51 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3du4 h LEU 234 CO 0.08 0.65 -0.33 0.00 -0.62 0.00 0.00 178.44 178.23 3du4 h ALA 235 N 1.47 0.95 -0.00 1.25 0.00 -1.88 -1.71 119.26 119.33 3du4 h ALA 235 Ca 0.39 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 3du4 h ALA 235 Cb 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3du4 h ALA 235 CO -0.13 0.41 -0.91 0.78 0.00 0.00 0.00 179.25 179.39 3du4 h GLY 236 N 2.37 0.37 1.54 0.00 0.00 -0.54 -2.70 103.07 104.10 3du4 h GLY 236 Ca -0.00 -0.64 -0.19 0.00 0.00 0.00 0.00 47.33 46.49 3du4 h GLY 236 CO 0.04 0.57 -0.76 -0.39 0.00 0.00 0.00 176.54 176.01 3du4 h VAL 237 N 0.19 1.37 -0.43 4.60 -1.51 -0.84 -2.69 116.25 116.94 3du4 h VAL 237 Ca -0.06 -2.15 0.05 0.00 -1.23 0.00 0.00 66.70 63.31 3du4 h VAL 237 Cb 1.54 2.13 -0.05 0.00 -2.13 0.00 0.00 31.29 32.78 3du4 h VAL 237 CO 0.15 0.65 0.15 -0.09 -1.23 0.00 0.00 177.57 177.20 3du4 h ARG 238 N 0.30 0.30 -0.33 5.19 9.65 -1.32 -0.15 114.38 128.02 3du4 h ARG 238 Ca -0.04 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 3du4 h ARG 238 Cb 1.34 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.84 3du4 h ARG 238 CO 0.13 0.20 0.05 1.49 2.80 0.00 0.00 179.97 184.65 3du4 h GLU 239 N 0.31 0.55 -0.85 0.20 4.22 -1.48 -0.81 114.58 116.72 3du4 h GLU 239 Ca 0.20 -0.15 0.01 0.00 0.08 0.00 0.00 59.36 59.50 3du4 h GLU 239 Cb 0.19 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3du4 h GLU 239 CO -0.21 0.63 0.56 -0.07 -2.18 0.00 0.00 179.01 177.75 3du4 h LEU 240 N 0.38 0.97 -0.27 1.64 3.38 -1.30 -0.21 115.31 119.91 3du4 h LEU 240 Ca 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3du4 h LEU 240 Cb 0.35 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3du4 h LEU 240 CO 0.01 0.70 0.06 0.00 0.09 0.00 0.00 178.44 179.30 3du4 h THR 242 N 0.26 1.06 -0.03 0.00 2.02 -0.90 -0.57 112.91 114.75 3du4 h THR 242 Ca 0.08 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 3du4 h THR 242 Cb 0.30 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3du4 h THR 242 CO 0.00 0.11 -0.23 0.74 0.37 0.00 0.00 175.52 176.51 3du4 h THR 243 N 0.60 1.18 -0.35 3.16 2.02 -0.91 -3.01 112.91 115.60 3du4 h THR 243 Ca 0.20 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3du4 h THR 243 Cb 0.01 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3du4 h THR 243 CO -0.09 0.25 0.00 -1.22 0.37 0.00 0.00 175.52 174.83 3du4 n TYR 244 N -4.24 0.72 -3.37 3.16 4.01 -0.76 -4.97 117.16 111.71 3du4 n TYR 244 Ca -0.02 -0.63 -0.18 0.00 -0.16 0.00 0.00 57.90 56.91 3du4 n TYR 244 Cb 0.30 -0.14 0.07 0.00 -0.31 0.00 0.00 39.34 39.27 3du4 n TYR 244 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3du4 n ASP 245 N 0.26 -4.06 -4.34 7.72 10.43 -0.81 -4.77 116.55 120.98 3du4 n ASP 245 Ca 0.16 -0.51 -0.33 0.00 2.57 0.00 0.00 54.79 56.69 3du4 n ASP 245 Cb 0.62 -4.52 -0.15 0.00 1.84 0.00 0.00 41.12 38.91 3du4 n ASP 245 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3du4 s VAL 246 N -3.30 2.85 0.39 2.53 1.01 -0.29 -4.94 120.40 118.66 3du4 s VAL 246 Ca 0.27 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 3du4 s VAL 246 Cb -0.12 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.99 3du4 s VAL 246 CO 0.64 0.53 1.19 -0.76 0.00 0.00 0.00 175.10 176.70 3du4 s LEU 247 N 0.40 4.22 -0.29 3.92 1.43 -0.79 -4.32 118.68 123.26 3du4 s LEU 247 Ca -0.12 2.39 -0.08 0.00 -1.03 0.00 0.00 54.13 55.30 3du4 s LEU 247 Cb -0.16 -3.97 -0.01 0.00 0.03 0.00 0.00 46.19 42.08 3du4 s LEU 247 CO 0.06 -0.66 0.11 -0.32 0.23 0.00 0.00 176.35 175.76 3du4 s MET 248 N -2.22 3.34 -0.28 1.70 -2.45 -1.26 -0.29 119.30 117.83 3du4 s MET 248 Ca 0.56 -0.70 -0.13 0.00 -1.25 0.00 0.00 55.69 54.17 3du4 s MET 248 Cb -0.32 -3.44 -0.04 0.00 1.25 0.00 0.00 34.83 32.28 3du4 s MET 248 CO 0.40 -0.36 0.27 0.42 1.05 0.00 0.00 175.02 176.80 3du4 s ILE 249 N 1.58 5.25 -0.21 10.11 1.01 0.59 -1.50 121.20 138.03 3du4 s ILE 249 Ca 0.04 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.94 3du4 s ILE 249 Cb -0.17 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 3du4 s ILE 249 CO 0.04 0.18 0.02 -0.69 0.00 0.00 0.00 174.94 174.49 3du4 s VAL 250 N 1.89 4.04 -0.52 2.92 1.01 -0.22 -1.74 120.40 127.79 3du4 s VAL 250 Ca 0.10 -0.28 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 3du4 s VAL 250 Cb -0.16 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.43 3du4 s VAL 250 CO 0.11 0.41 0.77 -0.62 0.00 0.00 0.00 175.10 175.77 3du4 s ASP 251 N 1.11 6.28 -0.26 3.32 -1.08 0.04 -1.39 116.67 124.70 3du4 s ASP 251 Ca 0.03 -0.61 0.13 0.00 -0.52 0.00 0.00 52.55 51.57 3du4 s ASP 251 Cb -0.14 -2.36 0.68 0.00 -1.46 0.00 0.00 42.92 39.64 3du4 s ASP 251 CO 0.02 -1.03 1.65 -0.62 0.52 0.00 0.00 175.17 175.70 3du4 n GLU 252 N 6.75 3.58 -0.17 4.34 -0.58 -0.10 -1.53 120.64 132.93 3du4 n GLU 252 Ca -0.02 -3.05 -0.02 0.00 -0.42 0.00 0.00 57.16 53.64 3du4 n GLU 252 Cb 0.46 -2.08 0.19 0.00 -0.57 0.00 0.00 31.44 29.44 3du4 n GLU 252 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3du4 h VAL 253 N 2.55 1.22 0.09 2.62 2.07 -1.89 0.25 116.25 123.16 3du4 h VAL 253 Ca 0.12 -0.71 -0.36 0.00 0.82 0.00 0.00 66.70 66.57 3du4 h VAL 253 Cb 1.92 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3du4 h VAL 253 CO 0.49 0.28 -2.02 0.00 0.02 0.00 0.00 177.57 176.35 3du4 n ALA 254 N -2.45 1.07 0.18 1.67 0.00 -1.26 -4.16 120.51 115.56 3du4 n ALA 254 Ca 0.05 -0.70 0.10 0.00 0.00 0.00 0.00 53.44 52.89 3du4 n ALA 254 Cb 0.18 -0.63 0.10 0.00 0.00 0.00 0.00 19.45 19.10 3du4 n ALA 254 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3du4 h THR 255 N 0.05 0.11 -4.20 0.00 1.35 -1.85 -3.45 112.91 104.92 3du4 h THR 255 Ca -0.42 -1.17 -0.53 0.00 -0.55 0.00 0.00 66.41 63.74 3du4 h THR 255 Cb 2.02 1.92 0.16 0.00 -1.73 0.00 0.00 68.15 70.53 3du4 h THR 255 CO 0.06 0.06 0.37 -0.83 -0.25 0.00 0.00 175.52 174.93 3du4 s GLY 256 N -4.30 2.23 -0.85 5.82 0.00 0.86 -3.61 107.32 107.48 3du4 s GLY 256 Ca 0.04 0.82 -0.03 0.00 0.00 0.00 0.00 44.72 45.55 3du4 s GLY 256 CO 0.71 1.23 0.76 0.69 0.00 0.00 0.00 173.10 176.49 3du4 n PHE 257 N -2.99 -2.45 0.00 1.90 3.72 0.41 -3.86 117.46 114.20 3du4 n PHE 257 Ca 0.13 0.89 0.00 0.00 -0.05 0.00 0.00 57.45 58.42 3du4 n PHE 257 Cb 0.51 -3.95 0.00 0.00 -0.94 0.00 0.00 39.48 35.09 3du4 n PHE 257 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3du4 n GLY 258 N -1.44 2.92 0.33 1.37 0.00 -0.48 -4.91 105.19 102.98 3du4 n GLY 258 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 3du4 n GLY 258 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3du4 h ARG 259 N 1.60 0.48 -0.58 1.61 9.65 -1.67 0.18 114.38 125.65 3du4 h ARG 259 Ca 0.00 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 3du4 h ARG 259 Cb 0.00 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 3du4 h ARG 259 CO 0.00 0.32 0.08 0.25 2.80 0.00 0.00 179.97 183.41 3du4 n THR 260 N -4.97 2.76 -1.13 0.20 -2.24 -1.25 -1.74 114.28 105.91 3du4 n THR 260 Ca 0.24 -1.57 -0.04 0.00 -2.27 0.00 0.00 64.05 60.40 3du4 n THR 260 Cb 0.67 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.58 3du4 n THR 260 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3du4 n GLY 261 N 0.21 0.70 3.44 3.38 0.00 0.63 -4.05 105.19 109.50 3du4 n GLY 261 Ca 0.31 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 3du4 n GLY 261 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3du4 s LYS 262 N -1.86 1.62 0.02 1.61 -0.14 -1.26 -4.60 119.74 115.13 3du4 s LYS 262 Ca 0.00 -1.88 -0.26 0.00 -1.36 0.00 0.00 55.97 52.47 3du4 s LYS 262 Cb 0.00 -0.91 -0.17 0.00 -1.68 0.00 0.00 37.83 35.07 3du4 s LYS 262 CO 0.00 -0.14 1.30 1.98 -0.76 0.00 0.00 175.35 177.73 3du4 h MET 263 N 2.16 -0.38 -6.61 1.68 1.85 -1.93 -1.69 114.93 110.00 3du4 h MET 263 Ca -0.41 0.03 -0.69 0.00 -0.61 0.00 0.00 59.70 58.02 3du4 h MET 263 Cb 1.24 0.09 -0.26 0.00 0.43 0.00 0.00 31.60 33.10 3du4 h MET 263 CO 0.69 -0.08 -0.85 -0.06 -0.40 0.00 0.00 176.91 176.22 3du4 s PHE 264 N -4.84 2.43 0.27 1.39 0.08 -1.26 0.16 117.98 116.21 3du4 s PHE 264 Ca -0.14 -0.35 0.28 0.00 0.12 0.00 0.00 56.93 56.83 3du4 s PHE 264 Cb 0.02 -1.47 1.26 0.00 -0.57 0.00 0.00 43.02 42.27 3du4 s PHE 264 CO 0.56 0.13 1.97 0.00 -0.10 0.00 0.00 175.22 177.78 3du4 h ALA 265 N 4.96 1.12 0.00 5.36 0.00 -1.84 -2.68 119.26 126.19 3du4 h ALA 265 Ca -0.46 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3du4 h ALA 265 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3du4 h ALA 265 CO 0.46 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3du4 h GLU 267 N 0.00 0.00 -0.85 0.00 5.08 -1.76 0.24 114.58 117.29 3du4 h GLU 267 Ca 0.00 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 3du4 h GLU 267 Cb 0.08 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 3du4 h GLU 267 CO 0.00 0.34 0.55 0.45 -1.00 0.00 0.00 179.01 179.35 3du4 h HIS 268 N 0.00 0.71 -0.01 4.33 3.86 -1.66 -2.57 115.15 119.81 3du4 h HIS 268 Ca -0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3du4 h HIS 268 Cb 0.62 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.87 3du4 h HIS 268 CO 0.00 0.26 0.00 0.39 0.86 0.00 0.00 177.93 179.44 3du4 n GLU 269 N -4.53 2.66 -3.90 2.45 1.02 -1.21 -5.01 120.64 112.13 3du4 n GLU 269 Ca 0.17 -1.73 -0.25 0.00 -0.02 0.00 0.00 57.16 55.33 3du4 n GLU 269 Cb 0.50 -1.11 -0.01 0.00 -0.02 0.00 0.00 31.44 30.80 3du4 n GLU 269 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3du4 n ASN 270 N -0.66 -0.59 -4.84 1.62 4.13 -0.79 -4.84 115.26 109.29 3du4 n ASN 270 Ca 0.04 -0.97 -0.37 0.00 1.68 0.00 0.00 54.58 54.95 3du4 n ASN 270 Cb 0.33 -3.24 -0.06 0.00 -1.54 0.00 0.00 39.78 35.28 3du4 n ASN 270 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3du4 s VAL 271 N -3.90 4.89 -0.39 2.41 -7.23 0.78 -4.99 120.40 111.97 3du4 s VAL 271 Ca 0.02 0.90 -0.08 0.00 -1.81 0.00 0.00 61.98 61.00 3du4 s VAL 271 Cb -0.01 -3.76 0.07 0.00 0.56 0.00 0.00 36.38 33.24 3du4 s VAL 271 CO 0.87 0.42 0.21 -1.10 -0.31 0.00 0.00 175.10 175.19 3du4 s GLN 272 N -1.50 2.57 0.75 4.82 -1.52 -1.26 -4.73 119.66 118.79 3du4 s GLN 272 Ca 0.31 -1.39 -0.12 0.00 -1.95 0.00 0.00 55.36 52.21 3du4 s GLN 272 Cb -0.17 -3.67 0.04 0.00 -0.22 0.00 0.00 33.01 29.00 3du4 s GLN 272 CO 0.18 -0.87 1.11 -2.14 -0.25 0.00 0.00 175.29 173.31 3du4 s PRO 273 N 1.40 2.33 -0.05 2.91 0.02 -1.26 -4.98 135.00 135.37 3du4 s PRO 273 Ca 0.02 1.29 -0.14 0.00 0.02 0.00 0.00 61.00 62.19 3du4 s PRO 273 Cb -0.22 -1.90 -0.31 0.00 0.02 0.00 0.00 34.50 32.10 3du4 s PRO 273 CO 0.02 -1.60 0.70 -0.44 -0.33 0.00 0.00 177.00 175.35 3du4 h ASP 274 N -0.78 0.59 -4.34 2.53 3.32 -1.65 -3.45 116.42 112.64 3du4 h ASP 274 Ca -0.45 -0.92 -0.39 0.00 0.02 0.00 0.00 57.03 55.29 3du4 h ASP 274 Cb 1.24 -0.19 -0.25 0.00 0.22 0.00 0.00 39.33 40.35 3du4 h ASP 274 CO 0.51 1.71 -0.78 -0.76 -1.72 0.00 0.00 179.24 178.21 3du4 s LEU 275 N -7.45 2.16 -0.09 1.55 1.43 -0.85 -2.91 118.68 112.52 3du4 s LEU 275 Ca -0.16 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 3du4 s LEU 275 Cb 0.05 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.84 3du4 s LEU 275 CO 0.84 -0.00 0.22 -0.32 0.23 0.00 0.00 176.35 177.32 3du4 s MET 276 N -1.02 0.17 0.05 1.70 1.75 -0.74 -1.05 119.30 120.15 3du4 s MET 276 Ca -0.00 0.49 0.00 0.00 -1.25 0.00 0.00 55.69 54.93 3du4 s MET 276 Cb -0.07 -0.14 -0.04 0.00 2.84 0.00 0.00 34.83 37.42 3du4 s MET 276 CO 0.01 -0.17 0.16 0.00 -0.65 0.00 0.00 175.02 174.36 3du4 s ALA 277 N 1.29 3.84 0.05 4.11 0.00 -0.49 -0.68 121.76 129.88 3du4 s ALA 277 Ca -0.09 -0.88 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 3du4 s ALA 277 Cb -0.11 -1.70 0.05 0.00 0.00 0.00 0.00 23.12 21.36 3du4 s ALA 277 CO -0.08 0.78 0.50 0.00 0.00 0.00 0.00 175.76 176.96 3du4 s ALA 278 N -1.42 -1.26 0.00 0.00 0.00 -0.72 -0.92 121.76 117.43 3du4 s ALA 278 Ca 0.31 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3du4 s ALA 278 Cb -0.13 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3du4 s ALA 278 CO 0.24 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3du4 n GLY 279 N 0.36 1.15 6.95 0.00 0.00 -1.26 -1.67 105.19 110.72 3du4 n GLY 279 Ca -0.18 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3du4 n GLY 279 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3du4 n LYS 280 N 0.00 0.00 0.00 1.61 5.02 -1.26 -1.46 118.16 122.07 3du4 n LYS 280 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 3du4 n LYS 280 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 3du4 n LYS 280 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3du4 n GLY 281 N 0.00 -0.70 0.33 0.72 0.00 -1.23 -3.72 105.19 100.59 3du4 n GLY 281 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.02 3du4 n GLY 281 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3du4 h ILE 282 N 0.00 1.17 -0.62 -0.61 2.10 -1.55 -2.49 117.51 115.51 3du4 h ILE 282 Ca 0.00 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.56 3du4 h ILE 282 Cb 0.00 0.34 0.00 0.00 -1.09 0.00 0.00 36.82 36.07 3du4 h ILE 282 CO 0.00 0.18 0.00 0.35 -1.08 0.00 0.00 178.15 177.60 3du4 n THR 283 N -4.41 0.98 -0.62 2.19 -2.24 -1.24 -4.42 114.28 104.51 3du4 n THR 283 Ca 0.06 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 3du4 n THR 283 Cb 0.08 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 3du4 n THR 283 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3du4 n GLY 284 N 1.41 1.64 0.63 3.38 0.00 -0.94 -3.21 105.19 108.11 3du4 n GLY 284 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3du4 n GLY 284 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3du4 n GLY 285 N -2.00 1.36 0.12 -0.02 0.00 -0.85 -1.94 105.19 101.86 3du4 n GLY 285 Ca 0.00 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 3du4 n GLY 285 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3du4 n TYR 286 N -2.02 0.00 -3.85 1.61 4.02 -1.20 -4.80 117.16 110.93 3du4 n TYR 286 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 3du4 n TYR 286 Cb 0.13 -0.96 -0.09 0.00 -0.02 0.00 0.00 39.34 38.40 3du4 n TYR 286 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3du4 s LEU 287 N -6.30 1.40 -0.56 7.72 1.43 -1.26 -5.11 118.68 115.99 3du4 s LEU 287 Ca -0.30 -0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 52.31 3du4 s LEU 287 Cb 0.08 0.85 0.00 0.00 0.03 0.00 0.00 46.19 47.15 3du4 s LEU 287 CO 0.61 -0.44 1.54 -2.16 0.23 0.00 0.00 176.35 176.12 3du4 s PRO 288 N -1.74 3.16 0.02 1.29 0.04 -1.26 -4.68 135.00 131.82 3du4 s PRO 288 Ca -0.12 0.53 0.02 0.00 0.04 0.00 0.00 61.00 61.48 3du4 s PRO 288 Cb -0.05 -4.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.28 3du4 s PRO 288 CO 0.00 -2.11 -0.08 0.42 0.04 0.00 0.00 177.00 175.28 3du4 s ILE 289 N 6.75 0.57 0.12 0.56 -1.09 -1.14 -4.72 121.20 122.24 3du4 s ILE 289 Ca 0.57 -0.71 -0.08 0.00 -2.23 0.00 0.00 60.65 58.20 3du4 s ILE 289 Cb -0.12 -0.56 -0.01 0.00 -1.58 0.00 0.00 42.46 40.20 3du4 s ILE 289 CO 0.24 -0.12 0.22 0.00 -1.23 0.00 0.00 174.94 174.06 3du4 s ALA 290 N -0.78 -0.08 -0.03 9.38 0.00 0.40 -4.39 121.76 126.27 3du4 s ALA 290 Ca -0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 3du4 s ALA 290 Cb -0.06 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.72 3du4 s ALA 290 CO 0.00 -0.56 0.13 0.08 0.00 0.00 0.00 175.76 175.41 3du4 s VAL 291 N -3.91 0.03 -0.20 0.00 1.01 -0.67 -1.08 120.40 115.57 3du4 s VAL 291 Ca 0.11 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3du4 s VAL 291 Cb 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 36.38 36.17 3du4 s VAL 291 CO -0.06 -0.14 -0.14 -0.89 0.00 0.00 0.00 175.10 173.86 3du4 s THR 292 N -0.46 2.43 0.24 3.92 2.01 0.46 -1.76 115.64 122.47 3du4 s THR 292 Ca -0.05 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 60.88 3du4 s THR 292 Cb -0.04 -2.11 -0.08 0.00 0.01 0.00 0.00 72.50 70.29 3du4 s THR 292 CO 0.01 0.42 0.62 -0.36 -0.69 0.00 0.00 174.62 174.61 3du4 s PHE 293 N 1.31 3.46 0.05 4.92 0.40 0.14 -1.26 117.98 127.00 3du4 s PHE 293 Ca 0.03 1.05 -0.00 0.00 -0.60 0.00 0.00 56.93 57.41 3du4 s PHE 293 Cb -0.14 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 3du4 s PHE 293 CO -0.09 0.25 -0.04 0.00 0.70 0.00 0.00 175.22 176.04 3du4 s ALA 294 N -1.78 0.48 0.82 5.36 0.00 -0.93 -1.79 121.76 123.91 3du4 s ALA 294 Ca 0.47 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 3du4 s ALA 294 Cb -0.12 0.22 0.08 0.00 0.00 0.00 0.00 23.12 23.30 3du4 s ALA 294 CO 0.20 -0.29 1.09 0.95 0.00 0.00 0.00 175.76 177.70 3du4 s THR 295 N -3.25 3.04 0.17 0.00 -4.23 -1.14 -0.82 115.64 109.41 3du4 s THR 295 Ca 0.02 0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 60.79 3du4 s THR 295 Cb 0.03 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 3du4 s THR 295 CO -0.07 -0.44 1.53 -0.08 -0.54 0.00 0.00 174.62 175.02 3du4 h GLU 296 N -1.19 0.80 -0.64 3.99 4.57 -1.95 -2.14 114.58 118.04 3du4 h GLU 296 Ca -0.47 -0.41 0.06 0.00 -1.18 0.00 0.00 59.36 57.36 3du4 h GLU 296 Cb 1.27 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.81 3du4 h GLU 296 CO 0.57 1.04 0.33 -0.44 -1.18 0.00 0.00 179.01 179.34 3du4 h ASP 297 N 0.66 0.48 -0.14 1.04 3.45 -1.94 -0.66 116.42 119.31 3du4 h ASP 297 Ca 0.06 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 3du4 h ASP 297 Cb 0.94 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.65 3du4 h ASP 297 CO 0.09 0.31 0.07 0.40 -1.57 0.00 0.00 179.24 178.53 3du4 h ILE 298 N 0.62 1.13 -0.67 0.35 2.04 -1.93 -3.10 117.51 115.94 3du4 h ILE 298 Ca 0.29 -0.38 0.11 0.00 1.00 0.00 0.00 64.86 65.88 3du4 h ILE 298 Cb 0.21 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 3du4 h ILE 298 CO -0.20 0.12 0.27 0.22 0.00 0.00 0.00 178.15 178.56 3du4 h TYR 299 N 0.10 0.46 0.00 1.37 3.20 -0.63 -2.61 116.97 118.85 3du4 h TYR 299 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3du4 h TYR 299 Cb 0.13 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3du4 h TYR 299 CO -0.02 0.10 0.00 1.57 -1.64 0.00 0.00 178.16 178.17 3du4 h LYS 300 N 0.45 0.00 -0.00 1.82 2.10 -1.14 -2.14 116.57 117.66 3du4 h LYS 300 Ca 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 3du4 h LYS 300 Cb 0.46 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 3du4 h LYS 300 CO -0.34 0.00 0.10 0.00 -2.00 0.00 0.00 179.45 177.22 3du4 h ALA 301 N 2.13 1.12 -0.04 0.07 0.00 -1.39 -1.80 119.26 119.35 3du4 h ALA 301 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3du4 h ALA 301 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3du4 h ALA 301 CO 0.00 -0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.34 3du4 n PHE 302 N -3.04 0.03 -3.57 0.00 3.72 -0.81 -4.83 117.46 108.95 3du4 n PHE 302 Ca -0.03 -0.02 -0.40 0.00 -0.05 0.00 0.00 57.45 56.96 3du4 n PHE 302 Cb 0.17 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.60 3du4 n PHE 302 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3du4 s TYR 303 N -1.18 3.21 -0.10 1.38 5.04 -0.68 -4.03 117.35 121.00 3du4 s TYR 303 Ca 0.17 -0.30 -0.33 0.00 -2.44 0.00 0.00 57.07 54.17 3du4 s TYR 303 Cb 0.12 -2.43 0.13 0.00 0.35 0.00 0.00 41.96 40.13 3du4 s TYR 303 CO 0.18 -0.38 1.28 0.34 -1.34 0.00 0.00 175.55 175.63 3du4 s ASP 304 N 1.69 -0.08 0.56 4.32 3.68 -1.26 -4.96 116.67 120.62 3du4 s ASP 304 Ca 0.06 -0.07 -0.18 0.00 2.13 0.00 0.00 52.55 54.49 3du4 s ASP 304 Cb -0.17 0.13 -0.09 0.00 -1.45 0.00 0.00 42.92 41.34 3du4 s ASP 304 CO 0.09 -0.23 0.45 0.47 0.13 0.00 0.00 175.17 176.08 3du4 n ASP 305 N -0.31 -1.33 0.03 -0.34 8.00 -1.26 -4.91 116.55 116.43 3du4 n ASP 305 Ca -0.04 0.73 -0.06 0.00 0.71 0.00 0.00 54.79 56.13 3du4 n ASP 305 Cb 0.61 -1.13 0.13 0.00 -0.02 0.00 0.00 41.12 40.71 3du4 n ASP 305 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3du4 h TYR 306 N 0.23 0.54 -0.22 1.24 3.20 -2.00 -2.52 116.97 117.44 3du4 h TYR 306 Ca -0.45 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.26 3du4 h TYR 306 Cb 1.41 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.56 3du4 h TYR 306 CO 0.30 0.81 0.00 -0.85 -1.64 0.00 0.00 178.16 176.79 3du4 n GLU 307 N -4.01 1.65 0.00 1.82 0.00 -1.26 -2.99 120.64 115.85 3du4 n GLU 307 Ca -0.02 -0.99 0.15 0.00 0.00 0.00 0.00 57.16 56.30 3du4 n GLU 307 Cb 0.52 -1.31 0.74 0.00 0.00 0.00 0.00 31.44 31.40 3du4 n GLU 307 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3du4 n ASN 308 N 0.25 0.19 -1.65 -1.84 5.03 -0.95 -4.96 115.26 111.34 3du4 n ASN 308 Ca 0.13 -0.49 -0.13 0.00 0.87 0.00 0.00 54.58 54.96 3du4 n ASN 308 Cb 0.27 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 3du4 n ASN 308 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3du4 n LEU 309 N -1.08 -1.83 0.09 3.41 4.77 -1.16 -4.91 117.00 116.28 3du4 n LEU 309 Ca 0.16 -0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.19 3du4 n LEU 309 Cb 0.23 -2.02 0.10 0.00 -2.33 0.00 0.00 43.42 39.40 3du4 n LEU 309 CO 0.22 -0.03 0.26 0.11 -1.33 0.00 0.00 177.39 176.62 3du4 h LYS 310 N -0.32 0.00 -6.85 3.23 6.56 -1.82 -3.49 116.57 113.89 3du4 h LYS 310 Ca -0.32 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 58.74 3du4 h LYS 310 Cb 1.23 0.00 0.09 0.00 -0.57 0.00 0.00 32.23 32.98 3du4 h LYS 310 CO 0.36 0.00 0.85 0.99 -2.06 0.00 0.00 179.45 179.59 3du4 s THR 311 N -3.25 2.07 -0.57 -0.16 2.01 -1.26 -4.39 115.64 110.09 3du4 s THR 311 Ca 0.04 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.82 3du4 s THR 311 Cb 0.11 -3.04 0.02 0.00 0.01 0.00 0.00 72.50 69.60 3du4 s THR 311 CO 0.74 0.01 1.32 0.12 -0.69 0.00 0.00 174.62 176.12 3du4 s PHE 312 N -0.34 2.42 -1.27 4.92 5.36 -1.26 -4.95 117.98 122.86 3du4 s PHE 312 Ca 0.60 0.43 -0.09 0.00 -0.96 0.00 0.00 56.93 56.91 3du4 s PHE 312 Cb -0.47 -4.45 0.17 0.00 -0.34 0.00 0.00 43.02 37.93 3du4 s PHE 312 CO 0.52 -1.82 1.88 1.19 -1.46 0.00 0.00 175.22 175.54 3du4 n PHE 313 N 9.08 2.86 -3.90 10.12 3.01 -1.26 -4.88 117.46 132.50 3du4 n PHE 313 Ca 0.10 -2.77 -0.11 0.00 1.01 0.00 0.00 57.45 55.69 3du4 n PHE 313 Cb 0.49 -1.90 -0.10 0.00 -0.01 0.00 0.00 39.48 37.96 3du4 n PHE 313 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3du4 s HIS 314 N 0.14 0.09 0.00 1.38 2.46 -1.26 -5.16 115.29 112.94 3du4 s HIS 314 Ca 0.40 -0.22 0.00 0.00 0.47 0.00 0.00 55.06 55.71 3du4 s HIS 314 Cb 0.10 -0.08 0.00 0.00 -0.13 0.00 0.00 32.58 32.47 3du4 s HIS 314 CO 0.01 -0.27 0.00 0.41 -2.47 0.00 0.00 174.74 172.42 3du4 n GLY 315 N 1.49 2.37 3.83 1.59 0.00 -1.26 -5.16 105.19 108.04 3du4 n GLY 315 Ca -0.23 0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3du4 n GLY 315 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3du4 s HIS 316 N 0.00 3.28 0.41 1.61 3.76 -1.26 -4.97 115.29 118.12 3du4 s HIS 316 Ca 0.00 1.49 0.13 0.00 -0.15 0.00 0.00 55.06 56.53 3du4 s HIS 316 Cb 0.00 -2.88 0.88 0.00 1.11 0.00 0.00 32.58 31.69 3du4 s HIS 316 CO 0.00 -0.63 1.93 0.66 -0.85 0.00 0.00 174.74 175.85 3du4 h SER 317 N 0.82 0.04 -0.13 1.40 4.64 -2.02 -2.25 113.55 116.06 3du4 h SER 317 Ca -0.47 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3du4 h SER 317 Cb 1.20 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3du4 h SER 317 CO 0.60 0.28 0.00 -1.22 -0.87 0.00 0.00 176.83 175.62 3du4 n TYR 318 N -4.24 0.15 -1.55 4.77 4.01 -1.26 -4.83 117.16 114.21 3du4 n TYR 318 Ca -0.02 -0.08 -0.60 0.00 -0.16 0.00 0.00 57.90 57.04 3du4 n TYR 318 Cb 0.30 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.24 3du4 n TYR 318 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3du4 n THR 319 N 0.38 0.00 -1.68 -0.72 -1.04 -0.85 -0.97 114.28 109.40 3du4 n THR 319 Ca 0.17 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.07 3du4 n THR 319 Cb 0.36 -0.35 -0.03 0.00 -1.82 0.00 0.00 70.33 68.49 3du4 n THR 319 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3du4 n GLY 320 N 3.12 0.70 3.49 3.41 0.00 -1.26 -4.15 105.19 110.49 3du4 n GLY 320 Ca 0.26 -0.49 -0.64 0.00 0.00 0.00 0.00 46.02 45.16 3du4 n GLY 320 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3du4 n ASN 321 N 0.10 1.03 -0.24 1.61 5.15 -0.15 -4.60 115.26 118.16 3du4 n ASN 321 Ca -0.12 0.99 0.01 0.00 -0.60 0.00 0.00 54.58 54.87 3du4 n ASN 321 Cb 0.46 -0.86 0.13 0.00 -0.53 0.00 0.00 39.78 38.98 3du4 n ASN 321 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 3du4 h GLN 322 N 6.17 0.56 -0.11 1.20 7.50 -1.85 0.15 115.11 128.72 3du4 h GLN 322 Ca -0.32 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 58.83 3du4 h GLN 322 Cb 1.35 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 28.72 3du4 h GLN 322 CO 0.99 0.37 -0.07 -0.07 -1.50 0.00 0.00 178.83 178.55 3du4 h LEU 323 N 0.57 -0.23 -0.29 1.46 4.07 -1.78 0.27 115.31 119.38 3du4 h LEU 323 Ca 0.35 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.37 3du4 h LEU 323 Cb 0.38 0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 3du4 h LEU 323 CO -0.28 -0.10 0.15 1.23 -1.08 0.00 0.00 178.44 178.37 3du4 h GLY 324 N -0.07 0.39 1.65 0.83 0.00 -1.74 -2.59 103.07 101.53 3du4 h GLY 324 Ca 0.07 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 3du4 h GLY 324 CO -0.16 0.09 -0.40 0.00 0.00 0.00 0.00 176.54 176.07 3du4 h ALA 326 N 1.25 0.71 0.02 0.00 0.00 -0.39 0.16 119.26 121.01 3du4 h ALA 326 Ca 0.03 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 3du4 h ALA 326 Cb 0.85 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3du4 h ALA 326 CO 0.07 0.42 -0.93 -0.24 0.00 0.00 0.00 179.25 178.57 3du4 h VAL 327 N 0.76 1.57 -0.38 0.00 3.04 -1.31 -2.22 116.25 117.70 3du4 h VAL 327 Ca 0.17 -2.88 -0.02 0.00 -1.01 0.00 0.00 66.70 62.95 3du4 h VAL 327 Cb 0.36 2.61 -0.02 0.00 -2.01 0.00 0.00 31.29 32.24 3du4 h VAL 327 CO 0.01 0.83 0.15 0.00 -1.01 0.00 0.00 177.57 177.55 3du4 h ALA 328 N 0.99 0.50 -0.71 3.17 0.00 -1.08 -0.67 119.26 121.47 3du4 h ALA 328 Ca -0.04 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3du4 h ALA 328 Cb 1.60 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 3du4 h ALA 328 CO 0.13 0.11 0.37 -0.07 0.00 0.00 0.00 179.25 179.79 3du4 h LEU 329 N 0.47 0.51 -0.43 0.00 3.38 -0.52 -1.96 115.31 116.77 3du4 h LEU 329 Ca 0.13 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3du4 h LEU 329 Cb 0.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3du4 h LEU 329 CO -0.01 0.31 -0.25 -0.08 0.09 0.00 0.00 178.44 178.49 3du4 h GLU 330 N 0.65 0.93 -0.65 1.13 4.57 -1.27 -2.71 114.58 117.23 3du4 h GLU 330 Ca 0.34 -0.43 0.14 0.00 -1.18 0.00 0.00 59.36 58.22 3du4 h GLU 330 Cb 0.30 -0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 28.76 3du4 h GLU 330 CO -0.24 1.09 -0.08 -0.97 -1.18 0.00 0.00 179.01 177.63 3du4 h ASN 331 N 0.77 -0.45 0.69 1.04 -0.00 -0.72 -0.49 115.58 116.41 3du4 h ASN 331 Ca 0.09 0.18 -0.12 0.00 -0.00 0.00 0.00 56.30 56.45 3du4 h ASN 331 Cb 0.83 0.35 -0.02 0.00 -0.00 0.00 0.00 38.32 39.48 3du4 h ASN 331 CO 0.07 -0.18 -0.59 -0.07 -0.00 0.00 0.00 177.43 176.67 3du4 h LEU 332 N 0.05 0.00 -0.87 0.34 3.38 -1.28 -0.87 115.31 116.06 3du4 h LEU 332 Ca 0.33 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.20 3du4 h LEU 332 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3du4 h LEU 332 CO -0.62 0.59 -0.20 0.00 0.09 0.00 0.00 178.44 178.30 3du4 h ALA 333 N 1.41 1.05 -0.57 1.53 0.00 -1.03 -2.63 119.26 119.01 3du4 h ALA 333 Ca -0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3du4 h ALA 333 Cb 1.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3du4 h ALA 333 CO 0.08 0.58 0.07 -0.07 0.00 0.00 0.00 179.25 179.90 3du4 h LEU 334 N 0.54 0.93 -0.88 0.00 3.38 -0.21 0.28 115.31 119.35 3du4 h LEU 334 Ca 0.08 -0.27 0.15 0.00 0.09 0.00 0.00 57.88 57.93 3du4 h LEU 334 Cb 0.65 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3du4 h LEU 334 CO 0.05 0.97 0.47 -0.26 0.09 0.00 0.00 178.44 179.76 3du4 h PHE 335 N 0.86 0.83 0.04 1.13 0.04 -1.07 0.19 116.94 118.96 3du4 h PHE 335 Ca 0.17 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.97 3du4 h PHE 335 Cb 0.45 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.37 3du4 h PHE 335 CO 0.03 0.21 -0.02 1.49 -0.60 0.00 0.00 178.31 179.42 3du4 h GLU 336 N 0.67 -0.05 0.00 1.51 4.57 -1.09 -1.29 114.58 118.89 3du4 h GLU 336 Ca 0.48 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.60 3du4 h GLU 336 Cb 0.67 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 3du4 h GLU 336 CO -0.36 0.60 -0.32 0.66 -1.18 0.00 0.00 179.01 178.41 3du4 h SER 337 N -0.82 0.00 0.48 1.04 4.64 -0.31 -2.96 113.55 115.62 3du4 h SER 337 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 3du4 h SER 337 Cb 0.67 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 3du4 h SER 337 CO 0.01 0.32 -1.59 1.21 -0.87 0.00 0.00 176.83 175.91 3du4 n GLU 338 N -3.48 0.64 -3.03 4.77 4.07 0.64 -4.97 120.64 119.28 3du4 n GLU 338 Ca -0.00 0.02 -0.19 0.00 -0.06 0.00 0.00 57.16 56.93 3du4 n GLU 338 Cb 0.48 -1.69 0.04 0.00 -0.06 0.00 0.00 31.44 30.22 3du4 n GLU 338 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3du4 n ASN 339 N -2.59 -5.45 -0.30 4.31 4.13 -0.52 -4.90 115.26 109.94 3du4 n ASN 339 Ca -0.07 -0.29 -0.01 0.00 1.68 0.00 0.00 54.58 55.88 3du4 n ASN 339 Cb 0.69 -4.23 0.05 0.00 -1.54 0.00 0.00 39.78 34.76 3du4 n ASN 339 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3du4 h ILE 340 N -1.46 0.10 -0.62 2.41 1.08 -1.70 -1.92 117.51 115.41 3du4 h ILE 340 Ca -0.45 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.07 3du4 h ILE 340 Cb 1.31 0.10 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 3du4 h ILE 340 CO 0.47 0.00 0.34 0.58 -0.69 0.00 0.00 178.15 178.85 3du4 h VAL 341 N -0.05 0.97 -0.65 1.67 2.07 -1.91 -1.55 116.25 116.80 3du4 h VAL 341 Ca 0.33 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 3du4 h VAL 341 Cb 0.59 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3du4 h VAL 341 CO -0.85 0.12 0.27 -0.33 0.02 0.00 0.00 177.57 176.79 3du4 h GLU 342 N 0.64 0.94 -0.18 1.57 4.39 -1.69 -2.15 114.58 118.09 3du4 h GLU 342 Ca 0.27 -0.15 -0.14 0.00 0.34 0.00 0.00 59.36 59.69 3du4 h GLU 342 Cb 0.16 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3du4 h GLU 342 CO -0.17 0.76 -0.48 1.96 -1.16 0.00 0.00 179.01 179.92 3du4 h GLN 343 N 0.93 0.48 -0.20 2.33 4.20 -0.95 -1.36 115.11 120.55 3du4 h GLN 343 Ca 0.22 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3du4 h GLN 343 Cb 0.16 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3du4 h GLN 343 CO -0.02 0.86 0.04 0.28 -0.67 0.00 0.00 178.83 179.32 3du4 h VAL 344 N 0.39 1.21 -0.63 -0.54 2.07 -1.09 -0.51 116.25 117.15 3du4 h VAL 344 Ca 0.02 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 66.91 3du4 h VAL 344 Cb 0.99 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 3du4 h VAL 344 CO 0.09 0.21 0.34 0.00 0.02 0.00 0.00 177.57 178.23 3du4 h ALA 345 N 0.85 0.84 0.51 1.67 0.00 -1.32 -1.62 119.26 120.19 3du4 h ALA 345 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3du4 h ALA 345 Cb 0.29 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3du4 h ALA 345 CO 0.00 0.00 -0.25 0.93 0.00 0.00 0.00 179.25 179.94 3du4 h GLU 346 N 0.63 -0.66 -0.02 0.00 4.39 -1.16 -3.26 114.58 114.48 3du4 h GLU 346 Ca 0.29 0.05 0.01 0.00 0.34 0.00 0.00 59.36 60.04 3du4 h GLU 346 Cb 0.19 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3du4 h GLU 346 CO -0.19 -0.37 0.02 0.87 -1.16 0.00 0.00 179.01 178.19 3du4 h LYS 347 N -0.89 0.00 0.00 2.33 1.57 -1.08 -2.42 116.57 116.08 3du4 h LYS 347 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3du4 h LYS 347 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 3du4 h LYS 347 CO 0.12 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.43 3du4 n SER 348 N -4.01 0.57 0.19 0.86 7.64 -0.61 -2.04 113.62 116.22 3du4 n SER 348 Ca -0.02 0.62 -0.10 0.00 1.01 0.00 0.00 58.87 60.37 3du4 n SER 348 Cb 0.11 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 62.51 3du4 n SER 348 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3du4 h LYS 349 N 0.00 -0.53 -0.72 1.43 1.57 -1.56 -1.67 116.57 115.09 3du4 h LYS 349 Ca 0.00 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3du4 h LYS 349 Cb 0.43 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3du4 h LYS 349 CO 0.00 -0.28 0.37 -0.22 -0.57 0.00 0.00 179.45 178.75 3du4 h LYS 350 N -1.09 1.01 -0.95 3.15 1.63 -1.73 -1.85 116.57 116.75 3du4 h LYS 350 Ca -0.06 -0.13 0.15 0.00 -0.85 0.00 0.00 60.65 59.77 3du4 h LYS 350 Cb 0.50 -0.19 -0.08 0.00 -0.60 0.00 0.00 32.23 31.85 3du4 h LYS 350 CO 0.09 0.77 0.60 1.25 -3.45 0.00 0.00 179.45 178.72 3du4 h LEU 351 N 0.99 0.73 -0.39 5.20 6.46 -1.48 -1.34 115.31 125.48 3du4 h LEU 351 Ca 0.25 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 58.13 3du4 h LEU 351 Cb 0.07 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 39.85 3du4 h LEU 351 CO -0.04 0.34 0.02 -0.74 -0.62 0.00 0.00 178.44 177.41 3du4 h HIS 352 N 0.76 0.01 -0.38 1.25 2.76 -0.41 0.07 115.15 119.20 3du4 h HIS 352 Ca 0.49 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.56 3du4 h HIS 352 Cb 0.75 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 3du4 h HIS 352 CO -0.00 -0.06 -0.28 0.74 -1.30 0.00 0.00 177.93 177.03 3du4 h PHE 353 N 0.13 0.94 -0.70 5.26 0.04 -1.28 -0.80 116.94 120.54 3du4 h PHE 353 Ca 0.19 -0.24 0.07 0.00 2.80 0.00 0.00 57.97 60.79 3du4 h PHE 353 Cb 0.26 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.14 3du4 h PHE 353 CO -0.25 1.00 0.38 -0.07 -0.60 0.00 0.00 178.31 178.77 3du4 h LEU 354 N 0.69 0.56 -0.32 1.54 3.38 -0.59 -2.42 115.31 118.15 3du4 h LEU 354 Ca 0.08 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 3du4 h LEU 354 Cb 0.82 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3du4 h LEU 354 CO 0.07 0.35 -0.85 -0.07 0.09 0.00 0.00 178.44 178.03 3du4 h LEU 355 N 0.69 0.21 -1.37 1.67 3.38 -0.81 -3.22 115.31 115.86 3du4 h LEU 355 Ca 0.32 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3du4 h LEU 355 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3du4 h LEU 355 CO -0.20 0.96 -0.27 1.56 0.09 0.00 0.00 178.44 180.58 3du4 h GLN 356 N 0.09 0.00 -0.03 1.13 1.08 -0.86 -2.83 115.11 113.68 3du4 h GLN 356 Ca -0.04 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.10 3du4 h GLN 356 Cb 1.47 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.89 3du4 h GLN 356 CO 0.13 0.27 -0.27 0.22 -0.95 0.00 0.00 178.83 178.22 3du4 h ASP 357 N 0.00 0.06 -0.60 1.46 3.58 -1.45 -2.50 116.42 116.97 3du4 h ASP 357 Ca -0.00 -0.02 0.17 0.00 0.42 0.00 0.00 57.03 57.61 3du4 h ASP 357 Cb 0.63 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 3du4 h ASP 357 CO 0.03 0.34 0.46 -0.07 -2.88 0.00 0.00 179.24 177.12 3du4 h LEU 358 N 0.06 0.00 -1.88 2.28 3.38 -1.62 0.34 115.31 117.87 3du4 h LEU 358 Ca 0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.07 3du4 h LEU 358 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3du4 h LEU 358 CO 0.04 0.00 0.47 0.45 0.09 0.00 0.00 178.44 179.49 3du4 h HIS 359 N 0.00 0.00 0.00 1.13 3.86 -1.61 0.19 115.15 118.71 3du4 h HIS 359 Ca 0.28 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 3du4 h HIS 359 Cb 1.21 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.68 3du4 h HIS 359 CO 0.00 0.00 -0.02 0.00 0.86 0.00 0.00 177.93 178.77 3du4 h ALA 360 N 1.36 1.17 -2.52 2.45 0.00 -1.13 -3.42 119.26 117.17 3du4 h ALA 360 Ca 0.15 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 3du4 h ALA 360 Cb 1.09 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3du4 h ALA 360 CO -0.00 0.03 0.48 -0.51 0.00 0.00 0.00 179.25 179.25 3du4 s LEU 361 N -6.71 4.41 0.39 0.00 1.43 0.66 -4.96 118.68 113.91 3du4 s LEU 361 Ca -0.04 1.95 0.17 0.00 -1.03 0.00 0.00 54.13 55.18 3du4 s LEU 361 Cb 0.13 -3.58 1.05 0.00 0.03 0.00 0.00 46.19 43.81 3du4 s LEU 361 CO 0.49 -0.33 1.80 -0.65 0.23 0.00 0.00 176.35 177.89 3du4 h PRO 362 N 6.23 0.44 -0.51 1.29 0.11 -1.87 -2.85 132.00 134.83 3du4 h PRO 362 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3du4 h PRO 362 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3du4 h PRO 362 CO 0.77 0.29 0.00 0.72 -0.21 0.00 0.00 178.00 179.57 3du4 n HIS 363 N -4.60 1.13 -3.39 0.65 8.25 -1.26 -4.39 115.22 111.61 3du4 n HIS 363 Ca 0.23 -0.63 -0.39 0.00 -0.26 0.00 0.00 57.72 56.68 3du4 n HIS 363 Cb 0.78 -0.19 -0.08 0.00 1.12 0.00 0.00 29.99 31.61 3du4 n HIS 363 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3du4 s VAL 364 N -1.78 5.18 -0.24 1.59 1.01 -1.08 -0.06 120.40 125.01 3du4 s VAL 364 Ca 0.43 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 3du4 s VAL 364 Cb 0.28 -3.72 -0.15 0.00 0.00 0.00 0.00 36.38 32.80 3du4 s VAL 364 CO 0.20 0.20 -0.24 0.61 0.00 0.00 0.00 175.10 175.87 3du4 n GLY 365 N 4.32 -0.35 3.01 4.51 0.00 -0.06 -4.84 105.19 111.78 3du4 n GLY 365 Ca -0.08 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 3du4 n GLY 365 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3du4 s ASP 366 N -6.54 0.14 -0.12 1.61 2.15 -1.16 -5.01 116.67 107.74 3du4 s ASP 366 Ca -0.33 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.32 3du4 s ASP 366 Cb 0.09 0.13 0.02 0.00 -0.30 0.00 0.00 42.92 42.86 3du4 s ASP 366 CO 0.53 -0.28 -0.11 -0.63 -0.17 0.00 0.00 175.17 174.52 3du4 s ILE 367 N -1.23 1.28 -0.03 4.11 -1.09 -1.26 -1.23 121.20 121.75 3du4 s ILE 367 Ca -0.13 -0.46 0.06 0.00 -2.23 0.00 0.00 60.65 57.89 3du4 s ILE 367 Cb -0.08 -1.23 -0.02 0.00 -1.58 0.00 0.00 42.46 39.54 3du4 s ILE 367 CO -0.00 0.41 -0.21 -0.13 -1.23 0.00 0.00 174.94 173.77 3du4 s ARG 368 N 1.47 2.25 -0.26 2.79 0.52 -0.08 -4.99 118.95 120.64 3du4 s ARG 368 Ca 0.02 -0.85 -0.12 0.00 -0.52 0.00 0.00 55.73 54.26 3du4 s ARG 368 Cb -0.13 -2.17 0.09 0.00 0.52 0.00 0.00 34.95 33.26 3du4 s ARG 368 CO -0.07 0.58 0.61 -1.14 0.02 0.00 0.00 175.30 175.29 3du4 s GLN 369 N -0.70 0.58 -0.24 3.54 0.74 -1.26 -1.50 119.66 120.82 3du4 s GLN 369 Ca 0.11 1.20 -0.01 0.00 0.05 0.00 0.00 55.36 56.70 3du4 s GLN 369 Cb -0.10 0.33 0.07 0.00 1.10 0.00 0.00 33.01 34.41 3du4 s GLN 369 CO -0.00 -0.17 0.04 -1.17 -0.55 0.00 0.00 175.29 173.44 3du4 s LEU 370 N 2.03 1.82 0.00 3.68 2.96 -0.55 -5.01 118.68 123.62 3du4 s LEU 370 Ca -0.08 -1.19 0.00 0.00 -0.22 0.00 0.00 54.13 52.64 3du4 s LEU 370 Cb -0.08 -0.80 0.00 0.00 0.50 0.00 0.00 46.19 45.81 3du4 s LEU 370 CO -0.18 -0.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.13 3du4 n GLY 371 N 4.91 2.75 1.76 7.98 0.00 -1.26 -1.94 105.19 119.40 3du4 n GLY 371 Ca -0.07 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.77 3du4 n GLY 371 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3du4 n PHE 372 N 13.11 1.86 -3.56 1.61 3.01 -0.71 -4.80 117.46 127.98 3du4 n PHE 372 Ca 0.00 -0.66 -0.41 0.00 1.01 0.00 0.00 57.45 57.39 3du4 n PHE 372 Cb 0.00 -0.43 -0.09 0.00 -0.01 0.00 0.00 39.48 38.96 3du4 n PHE 372 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 3du4 s MET 373 N -2.46 2.48 0.08 -1.08 1.75 -0.82 -4.04 119.30 115.21 3du4 s MET 373 Ca 0.52 -1.75 0.03 0.00 -1.25 0.00 0.00 55.69 53.24 3du4 s MET 373 Cb 0.38 -3.92 -0.03 0.00 2.84 0.00 0.00 34.83 34.10 3du4 s MET 373 CO 0.18 -1.18 -0.10 0.00 -0.65 0.00 0.00 175.02 173.27 3du4 s GLY 375 N -2.15 -0.08 -0.45 0.00 0.00 -0.56 -0.22 107.32 103.87 3du4 s GLY 375 Ca 0.01 0.31 -0.14 0.00 0.00 0.00 0.00 44.72 44.90 3du4 s GLY 375 CO 0.00 0.28 0.35 0.00 0.00 0.00 0.00 173.10 173.73 3du4 s ALA 376 N 0.09 3.47 -0.29 3.20 0.00 -0.05 -0.91 121.76 127.27 3du4 s ALA 376 Ca -0.00 -2.09 -0.28 0.00 0.00 0.00 0.00 51.96 49.59 3du4 s ALA 376 Cb -0.01 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.19 3du4 s ALA 376 CO -0.00 -1.68 1.01 -2.00 0.00 0.00 0.00 175.76 173.09 3du4 s GLU 377 N 1.58 4.12 0.18 0.00 2.12 -0.37 -0.52 118.70 125.82 3du4 s GLU 377 Ca 0.04 1.09 -0.16 0.00 0.36 0.00 0.00 54.97 56.30 3du4 s GLU 377 Cb -0.23 -3.70 -0.07 0.00 0.26 0.00 0.00 34.13 30.38 3du4 s GLU 377 CO 0.06 -0.77 0.62 -0.51 -0.54 0.00 0.00 175.26 174.11 3du4 s LEU 378 N 3.38 4.33 -0.10 2.70 1.43 -0.12 -0.88 118.68 129.41 3du4 s LEU 378 Ca 0.43 1.20 -0.09 0.00 -1.03 0.00 0.00 54.13 54.64 3du4 s LEU 378 Cb -0.13 -3.41 0.03 0.00 0.03 0.00 0.00 46.19 42.70 3du4 s LEU 378 CO 0.12 0.06 0.27 0.54 0.23 0.00 0.00 176.35 177.57 3du4 s VAL 379 N -1.51 -0.01 -0.90 -1.59 0.11 0.91 -4.73 120.40 112.68 3du4 s VAL 379 Ca 0.40 0.02 0.27 0.00 -2.93 0.00 0.00 61.98 59.75 3du4 s VAL 379 Cb -0.15 -0.38 0.25 0.00 -1.53 0.00 0.00 36.38 34.57 3du4 s VAL 379 CO 0.20 0.01 1.86 -2.11 -3.33 0.00 0.00 175.10 171.72 3du4 n ARG 380 N 3.13 0.09 -3.47 1.54 1.85 -0.73 -4.47 116.66 114.60 3du4 n ARG 380 Ca -0.15 0.09 -0.08 0.00 -1.00 0.00 0.00 57.85 56.71 3du4 n ARG 380 Cb 0.57 -1.61 -0.08 0.00 -1.05 0.00 0.00 32.46 30.29 3du4 n ARG 380 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3du4 s SER 381 N -3.52 -0.01 0.01 2.89 0.15 -1.04 -4.98 113.70 107.19 3du4 s SER 381 Ca 0.12 0.56 -0.26 0.00 0.70 0.00 0.00 55.95 57.08 3du4 s SER 381 Cb 0.16 1.24 -0.15 0.00 -1.71 0.00 0.00 66.02 65.56 3du4 s SER 381 CO 0.54 -0.27 1.12 0.07 1.20 0.00 0.00 173.24 175.90 3du4 h LYS 382 N 8.17 -0.77 -0.14 5.44 2.10 -1.85 2.15 116.57 131.67 3du4 h LYS 382 Ca -0.18 0.05 0.01 0.00 -2.00 0.00 0.00 60.65 58.54 3du4 h LYS 382 Cb 1.14 0.17 -0.02 0.00 -0.90 0.00 0.00 32.23 32.62 3du4 h LYS 382 CO 0.21 -0.46 -0.08 -0.85 -2.00 0.00 0.00 179.45 176.26 3du4 n GLU 383 N -5.33 -0.06 0.10 0.07 0.28 -1.26 -2.11 120.64 112.33 3du4 n GLU 383 Ca -0.11 0.25 -0.20 0.00 -0.16 0.00 0.00 57.16 56.94 3du4 n GLU 383 Cb 0.34 -0.37 -0.12 0.00 1.43 0.00 0.00 31.44 32.72 3du4 n GLU 383 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3du4 h THR 384 N 0.00 1.34 -0.21 3.84 2.02 -1.95 -3.47 112.91 114.48 3du4 h THR 384 Ca 0.02 -2.59 -0.09 0.00 0.77 0.00 0.00 66.41 64.52 3du4 h THR 384 Cb 0.06 2.72 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 3du4 h THR 384 CO -0.14 0.78 -0.08 0.29 0.37 0.00 0.00 175.52 176.74 3du4 n LYS 385 N -3.73 -1.39 -2.10 6.66 5.02 0.72 -5.00 118.16 118.34 3du4 n LYS 385 Ca -0.12 0.57 -0.42 0.00 -2.02 0.00 0.00 58.31 56.32 3du4 n LYS 385 Cb 0.98 -4.71 -0.03 0.00 -0.02 0.00 0.00 35.03 31.25 3du4 n LYS 385 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3du4 s GLU 386 N -2.02 4.30 0.50 1.97 -1.05 -1.18 -4.87 118.70 116.34 3du4 s GLU 386 Ca 0.00 2.18 -0.14 0.00 -0.15 0.00 0.00 54.97 56.86 3du4 s GLU 386 Cb 0.00 -3.19 -0.07 0.00 -0.44 0.00 0.00 34.13 30.43 3du4 s GLU 386 CO 0.00 -0.44 0.93 -1.25 0.95 0.00 0.00 175.26 175.45 3du4 s PRO 387 N 0.67 3.85 0.53 -4.83 0.04 -1.26 -1.77 135.00 132.24 3du4 s PRO 387 Ca 0.64 0.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.24 3du4 s PRO 387 Cb -0.39 -2.20 -0.06 0.00 0.04 0.00 0.00 34.50 31.89 3du4 s PRO 387 CO 0.34 -0.24 1.28 0.66 0.04 0.00 0.00 177.00 179.08 3du4 n TYR 388 N -1.66 2.04 -1.65 0.56 4.02 -1.26 -4.63 117.16 114.58 3du4 n TYR 388 Ca 0.05 0.45 -0.40 0.00 -0.01 0.00 0.00 57.90 57.99 3du4 n TYR 388 Cb 0.54 -2.33 0.03 0.00 -0.02 0.00 0.00 39.34 37.56 3du4 n TYR 388 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3du4 n PRO 389 N -0.81 1.38 0.21 -0.72 -0.02 -1.26 -4.86 135.00 128.92 3du4 n PRO 389 Ca 0.10 0.50 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 3du4 n PRO 389 Cb 0.44 -2.23 0.53 0.00 -0.02 0.00 0.00 33.50 32.21 3du4 n PRO 389 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3du4 h ALA 390 N 1.30 1.77 0.00 3.55 0.00 -2.03 -2.17 119.26 121.68 3du4 h ALA 390 Ca -0.47 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3du4 h ALA 390 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3du4 h ALA 390 CO 0.56 0.18 0.00 -0.40 0.00 0.00 0.00 179.25 179.58 3du4 n ASP 391 N -4.39 0.00 -0.75 0.00 3.85 -1.26 -1.20 116.55 112.79 3du4 n ASP 391 Ca -0.02 0.07 0.12 0.00 -0.71 0.00 0.00 54.79 54.25 3du4 n ASP 391 Cb 0.19 -0.29 0.32 0.00 -1.35 0.00 0.00 41.12 39.99 3du4 n ASP 391 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 3du4 n ARG 392 N -1.29 2.01 -3.17 0.11 1.85 -0.81 -4.97 116.66 110.38 3du4 n ARG 392 Ca 0.07 -1.49 -0.23 0.00 -1.00 0.00 0.00 57.85 55.20 3du4 n ARG 392 Cb 0.12 -1.46 0.03 0.00 -1.05 0.00 0.00 32.46 30.11 3du4 n ARG 392 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3du4 n ARG 393 N 0.75 -4.88 -0.03 2.89 5.12 -0.34 -4.85 116.66 115.32 3du4 n ARG 393 Ca 0.17 0.80 -0.11 0.00 -1.93 0.00 0.00 57.85 56.79 3du4 n ARG 393 Cb 0.45 -5.65 -0.05 0.00 -1.16 0.00 0.00 32.46 26.05 3du4 n ARG 393 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3du4 h ILE 394 N -1.44 1.11 -0.51 0.55 1.08 -1.87 0.83 117.51 117.26 3du4 h ILE 394 Ca -0.52 -0.30 0.04 0.00 -0.39 0.00 0.00 64.86 63.69 3du4 h ILE 394 Cb 1.35 1.05 -0.04 0.00 -3.07 0.00 0.00 36.82 36.11 3du4 h ILE 394 CO 0.57 0.10 0.27 1.23 -0.69 0.00 0.00 178.15 179.62 3du4 h GLY 395 N 0.12 0.71 0.93 5.37 0.00 -1.87 -0.43 103.07 107.91 3du4 h GLY 395 Ca 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.20 3du4 h GLY 395 CO -0.01 0.13 0.06 -1.82 0.00 0.00 0.00 176.54 174.91 3du4 h TYR 396 N 0.53 0.11 -0.82 5.60 3.20 -1.68 -1.41 116.97 122.49 3du4 h TYR 396 Ca 0.22 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.13 3du4 h TYR 396 Cb 0.10 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 3du4 h TYR 396 CO -0.09 0.06 0.53 0.87 -1.64 0.00 0.00 178.16 177.89 3du4 h LYS 397 N 0.13 1.00 -0.68 1.82 1.57 -0.65 -2.16 116.57 117.61 3du4 h LYS 397 Ca 0.05 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3du4 h LYS 397 Cb 0.01 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 3du4 h LYS 397 CO -0.04 0.66 0.34 0.28 -0.57 0.00 0.00 179.45 180.12 3du4 h VAL 398 N 1.03 1.22 -0.34 0.50 2.07 -0.80 -0.52 116.25 119.41 3du4 h VAL 398 Ca 0.33 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.27 3du4 h VAL 398 Cb 0.00 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3du4 h VAL 398 CO -0.11 0.26 0.13 0.77 0.02 0.00 0.00 177.57 178.64 3du4 h SER 399 N 0.94 0.16 -0.44 0.57 4.64 -0.76 0.13 113.55 118.80 3du4 h SER 399 Ca 0.24 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3du4 h SER 399 Cb 0.10 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3du4 h SER 399 CO -0.03 0.13 0.29 -0.07 -0.87 0.00 0.00 176.83 176.27 3du4 h LEU 400 N 0.28 0.50 -0.49 5.97 4.07 -1.15 -0.23 115.31 124.27 3du4 h LEU 400 Ca 0.15 -0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.16 3du4 h LEU 400 Cb 0.11 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.66 3du4 h LEU 400 CO -0.14 0.37 0.16 0.50 -1.08 0.00 0.00 178.44 178.25 3du4 h LYS 401 N 0.59 0.31 -0.79 1.13 1.63 -0.82 -1.89 116.57 116.74 3du4 h LYS 401 Ca 0.16 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 3du4 h LYS 401 Cb -0.06 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.46 3du4 h LYS 401 CO -0.03 0.21 0.42 0.52 -3.45 0.00 0.00 179.45 177.12 3du4 h MET 402 N 0.32 1.10 -0.27 1.90 2.86 -0.43 -1.39 114.93 119.02 3du4 h MET 402 Ca 0.24 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3du4 h MET 402 Cb 0.27 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3du4 h MET 402 CO -0.26 0.81 0.17 -0.09 1.06 0.00 0.00 176.91 178.60 3du4 h ARG 403 N 1.10 0.36 -0.14 1.72 2.43 -0.67 0.16 114.38 119.35 3du4 h ARG 403 Ca 0.28 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.31 3du4 h ARG 403 Cb 0.04 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3du4 h ARG 403 CO -0.04 0.27 -0.38 1.05 -1.51 0.00 0.00 179.97 179.36 3du4 h GLU 404 N 0.35 0.30 0.00 0.20 4.11 -1.22 -1.26 114.58 117.05 3du4 h GLU 404 Ca 0.10 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3du4 h GLU 404 Cb -0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3du4 h GLU 404 CO -0.02 0.64 0.00 1.28 0.07 0.00 0.00 179.01 180.98 3du4 n LEU 405 N -4.05 0.00 -0.18 3.06 4.32 -0.54 -4.90 117.00 114.71 3du4 n LEU 405 Ca -0.01 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 3du4 n LEU 405 Cb 0.47 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 3du4 n LEU 405 CO 0.42 -0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.09 3du4 n GLY 406 N 0.08 1.03 3.24 -0.72 0.00 0.34 -5.03 105.19 104.14 3du4 n GLY 406 Ca 0.09 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 3du4 n GLY 406 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3du4 s MET 407 N -2.30 0.37 -0.18 1.61 0.00 0.09 -1.48 119.30 117.40 3du4 s MET 407 Ca 0.00 0.75 -0.10 0.00 0.00 0.00 0.00 55.69 56.34 3du4 s MET 407 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 34.83 34.75 3du4 s MET 407 CO 0.00 -0.16 0.16 -0.51 0.00 0.00 0.00 175.02 174.51 3du4 s LEU 408 N 1.37 4.24 0.26 4.11 1.43 0.94 -2.37 118.68 128.65 3du4 s LEU 408 Ca -0.09 0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.09 3du4 s LEU 408 Cb -0.09 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 44.04 3du4 s LEU 408 CO -0.12 0.19 0.80 0.28 0.23 0.00 0.00 176.35 177.73 3du4 s THR 409 N 0.22 0.00 -0.02 5.49 -1.32 -1.26 -1.22 115.64 117.53 3du4 s THR 409 Ca 0.10 -0.91 0.04 0.00 -1.21 0.00 0.00 61.69 59.72 3du4 s THR 409 Cb -0.11 -2.17 -0.01 0.00 -1.51 0.00 0.00 72.50 68.70 3du4 s THR 409 CO -0.00 0.00 -0.14 -0.13 -2.21 0.00 0.00 174.62 172.13 3du4 s ARG 410 N -3.46 1.23 0.49 7.08 0.52 -1.26 -4.83 118.95 118.71 3du4 s ARG 410 Ca 0.12 -0.51 -0.08 0.00 -0.52 0.00 0.00 55.73 54.73 3du4 s ARG 410 Cb -0.05 -1.17 -0.05 0.00 0.52 0.00 0.00 34.95 34.21 3du4 s ARG 410 CO 0.07 0.29 0.84 -1.25 0.02 0.00 0.00 175.30 175.27 3du4 s PRO 411 N -0.26 3.65 -0.52 3.54 0.04 -1.26 -3.01 135.00 137.18 3du4 s PRO 411 Ca 0.04 0.43 -0.01 0.00 0.04 0.00 0.00 61.00 61.50 3du4 s PRO 411 Cb -0.06 -2.31 0.14 0.00 0.04 0.00 0.00 34.50 32.30 3du4 s PRO 411 CO -0.00 -0.23 0.30 -0.51 0.04 0.00 0.00 177.00 176.60 3du4 s LEU 412 N -4.52 5.01 0.00 -3.56 2.01 0.23 -4.91 118.68 112.94 3du4 s LEU 412 Ca 0.51 -2.61 0.00 0.00 0.01 0.00 0.00 54.13 52.04 3du4 s LEU 412 Cb -0.10 -1.78 0.00 0.00 0.01 0.00 0.00 46.19 44.31 3du4 s LEU 412 CO 0.42 -0.39 0.00 0.61 1.01 0.00 0.00 176.35 178.00 3du4 n GLY 413 N 3.77 3.75 1.78 -3.19 0.00 -1.26 -1.43 105.19 108.61 3du4 n GLY 413 Ca 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.06 3du4 n GLY 413 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3du4 n ASP 414 N 8.88 5.15 -4.67 1.61 8.00 -1.26 -4.17 116.55 130.10 3du4 n ASP 414 Ca 0.00 -3.06 -0.37 0.00 0.71 0.00 0.00 54.79 52.08 3du4 n ASP 414 Cb 0.00 -0.69 -0.09 0.00 -0.02 0.00 0.00 41.12 40.32 3du4 n ASP 414 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3du4 s VAL 415 N -2.87 5.34 -0.28 2.53 1.01 -0.51 -0.95 120.40 124.67 3du4 s VAL 415 Ca 0.53 0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.57 3du4 s VAL 415 Cb 0.42 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 3du4 s VAL 415 CO 0.14 0.35 0.66 -0.63 0.00 0.00 0.00 175.10 175.62 3du4 s ILE 416 N 0.98 4.93 0.35 2.22 -1.09 0.32 0.74 121.20 129.66 3du4 s ILE 416 Ca 0.10 1.06 -0.25 0.00 -2.23 0.00 0.00 60.65 59.32 3du4 s ILE 416 Cb -0.13 -4.00 -0.10 0.00 -1.58 0.00 0.00 42.46 36.65 3du4 s ILE 416 CO 0.04 -0.08 0.97 0.00 -1.23 0.00 0.00 174.94 174.64 3du4 s ALA 417 N 2.63 3.16 -0.30 9.38 0.00 -1.16 -0.87 121.76 134.60 3du4 s ALA 417 Ca 0.27 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 3du4 s ALA 417 Cb -0.15 -3.20 0.10 0.00 0.00 0.00 0.00 23.12 19.87 3du4 s ALA 417 CO 0.10 0.07 0.14 0.12 0.00 0.00 0.00 175.76 176.19 3du4 s PHE 418 N -1.69 0.41 -0.56 0.00 5.36 0.70 -4.66 117.98 117.53 3du4 s PHE 418 Ca 0.53 -0.98 0.04 0.00 -0.96 0.00 0.00 56.93 55.56 3du4 s PHE 418 Cb -0.18 -0.93 0.17 0.00 -0.34 0.00 0.00 43.02 41.73 3du4 s PHE 418 CO 0.24 -0.83 0.41 -0.51 -1.46 0.00 0.00 175.22 173.06 3du4 s LEU 419 N 1.98 3.24 0.58 6.12 1.02 -0.68 -1.51 118.68 129.44 3du4 s LEU 419 Ca 0.10 -3.42 -0.15 0.00 0.02 0.00 0.00 54.13 50.68 3du4 s LEU 419 Cb -0.17 -1.10 -0.05 0.00 0.02 0.00 0.00 46.19 44.90 3du4 s LEU 419 CO -0.33 -0.14 1.03 -2.16 0.02 0.00 0.00 176.35 174.77 3du4 s PRO 420 N -0.67 3.54 0.62 1.29 0.04 -1.16 -1.74 135.00 136.92 3du4 s PRO 420 Ca 0.27 1.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.17 3du4 s PRO 420 Cb -0.03 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3du4 s PRO 420 CO -0.16 -0.61 0.91 -2.30 0.04 0.00 0.00 177.00 174.88 3du4 n PRO 421 N -2.05 0.78 0.07 0.56 -0.02 -1.26 -4.81 135.00 128.26 3du4 n PRO 421 Ca 0.07 0.31 -0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3du4 n PRO 421 Cb 0.53 -2.13 0.29 0.00 -0.02 0.00 0.00 33.50 32.18 3du4 n PRO 421 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3du4 h LEU 422 N 0.31 0.33 0.00 2.45 4.07 -1.45 -1.83 115.31 119.18 3du4 h LEU 422 Ca -0.48 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.39 3du4 h LEU 422 Cb 1.37 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.02 3du4 h LEU 422 CO 0.50 0.55 0.00 0.00 -1.08 0.00 0.00 178.44 178.41 3du4 n ALA 423 N -2.48 1.70 -1.67 1.53 0.00 -0.30 -4.78 120.51 114.51 3du4 n ALA 423 Ca -0.00 -0.05 -0.45 0.00 0.00 0.00 0.00 53.44 52.93 3du4 n ALA 423 Cb 0.35 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 3du4 n ALA 423 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3du4 n SER 424 N -1.31 2.81 -4.89 0.00 7.64 -0.69 -4.97 113.62 112.21 3du4 n SER 424 Ca 0.05 1.13 -0.29 0.00 1.01 0.00 0.00 58.87 60.78 3du4 n SER 424 Cb 0.10 -1.43 -0.02 0.00 -1.01 0.00 0.00 64.21 61.86 3du4 n SER 424 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3du4 s THR 425 N 0.08 4.83 0.33 0.44 2.01 -1.26 -4.88 115.64 117.19 3du4 s THR 425 Ca 0.70 0.46 0.04 0.00 0.31 0.00 0.00 61.69 63.20 3du4 s THR 425 Cb -0.65 -3.80 0.29 0.00 0.01 0.00 0.00 72.50 68.35 3du4 s THR 425 CO 0.48 -0.71 1.91 0.00 -0.69 0.00 0.00 174.62 175.61 3du4 h ALA 426 N 0.69 1.64 -0.04 7.40 0.00 -1.96 0.59 119.26 127.58 3du4 h ALA 426 Ca -0.47 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.22 3du4 h ALA 426 Cb 1.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3du4 h ALA 426 CO 0.63 0.20 -0.86 1.05 0.00 0.00 0.00 179.25 180.27 3du4 h GLU 427 N 0.88 0.45 -0.68 0.00 9.09 -1.99 -2.48 114.58 119.84 3du4 h GLU 427 Ca 0.39 -0.43 -0.02 0.00 0.05 0.00 0.00 59.36 59.35 3du4 h GLU 427 Cb 0.35 0.11 -0.03 0.00 -1.65 0.00 0.00 28.75 27.53 3du4 h GLU 427 CO -0.16 1.08 0.34 0.93 0.05 0.00 0.00 179.01 181.25 3du4 h GLU 428 N 0.27 0.98 -0.31 1.06 5.08 -1.82 -0.99 114.58 118.85 3du4 h GLU 428 Ca -0.06 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3du4 h GLU 428 Cb 1.47 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 3du4 h GLU 428 CO 0.15 0.77 0.21 -0.07 -1.00 0.00 0.00 179.01 179.07 3du4 h LEU 429 N 0.95 0.36 -0.64 1.33 3.38 -0.82 -1.15 115.31 118.73 3du4 h LEU 429 Ca 0.24 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 3du4 h LEU 429 Cb 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3du4 h LEU 429 CO -0.03 0.26 -0.59 0.77 0.09 0.00 0.00 178.44 178.94 3du4 h SER 430 N 0.43 0.34 0.04 -0.43 4.64 -1.35 -1.10 113.55 116.11 3du4 h SER 430 Ca 0.12 -0.19 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 3du4 h SER 430 Cb -0.05 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3du4 h SER 430 CO -0.03 0.85 -0.06 -0.33 -0.87 0.00 0.00 176.83 176.39 3du4 h GLU 431 N 0.22 0.07 0.11 4.77 5.08 -0.89 -1.82 114.58 122.12 3du4 h GLU 431 Ca -0.00 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 3du4 h GLU 431 Cb 1.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3du4 h GLU 431 CO 0.09 0.14 -1.55 0.52 -1.00 0.00 0.00 179.01 177.22 3du4 h MET 432 N 0.07 0.24 -0.41 2.33 2.86 -0.83 -3.12 114.93 116.07 3du4 h MET 432 Ca 0.02 -0.41 -0.05 0.00 -2.06 0.00 0.00 59.70 57.19 3du4 h MET 432 Cb 0.15 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3du4 h MET 432 CO 0.01 1.10 0.02 0.28 1.06 0.00 0.00 176.91 179.38 3du4 h VAL 433 N 0.07 1.21 -0.41 -2.22 2.07 -1.09 -2.16 116.25 113.71 3du4 h VAL 433 Ca -0.25 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 3du4 h VAL 433 Cb 2.01 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3du4 h VAL 433 CO 0.16 0.29 -0.02 0.00 0.02 0.00 0.00 177.57 178.02 3du4 h ALA 434 N 1.42 0.56 -0.38 1.67 0.00 -1.40 0.14 119.26 121.26 3du4 h ALA 434 Ca 0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3du4 h ALA 434 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3du4 h ALA 434 CO 0.01 0.36 0.04 0.82 0.00 0.00 0.00 179.25 180.48 3du4 h ILE 435 N 0.57 1.25 -0.66 0.00 2.04 -1.49 -1.34 117.51 117.88 3du4 h ILE 435 Ca 0.11 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.07 3du4 h ILE 435 Cb 0.51 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3du4 h ILE 435 CO 0.03 0.31 0.42 -0.03 0.00 0.00 0.00 178.15 178.88 3du4 h MET 436 N 0.49 0.81 -0.19 2.37 4.05 -1.19 -0.35 114.93 120.91 3du4 h MET 436 Ca 0.11 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 3du4 h MET 436 Cb 0.41 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 3du4 h MET 436 CO 0.01 0.54 0.05 -0.22 0.23 0.00 0.00 176.91 177.52 3du4 h LYS 437 N 0.84 0.30 -0.87 0.39 3.64 -0.60 -1.63 116.57 118.64 3du4 h LYS 437 Ca 0.25 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 3du4 h LYS 437 Cb -0.03 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 3du4 h LYS 437 CO -0.08 0.42 0.54 0.37 -2.27 0.00 0.00 179.45 178.43 3du4 h GLN 438 N 0.12 0.97 -0.01 1.90 4.15 -1.02 -2.19 115.11 119.03 3du4 h GLN 438 Ca 0.06 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3du4 h GLN 438 Cb 0.25 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 3du4 h GLN 438 CO -0.00 0.64 -0.00 0.00 -1.93 0.00 0.00 178.83 177.54 3du4 h ALA 439 N 1.40 0.01 -0.57 3.38 0.00 -0.92 -0.43 119.26 122.13 3du4 h ALA 439 Ca 0.37 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.20 3du4 h ALA 439 Cb 0.15 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3du4 h ALA 439 CO -0.16 -0.31 0.18 0.82 0.00 0.00 0.00 179.25 179.77 3du4 h ILE 440 N -0.33 0.75 0.62 0.00 2.04 -1.20 -1.47 117.51 117.91 3du4 h ILE 440 Ca 0.00 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 3du4 h ILE 440 Cb 0.36 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3du4 h ILE 440 CO 0.00 0.06 -0.30 -0.74 0.00 0.00 0.00 178.15 177.18 3du4 h HIS 441 N 0.34 -0.77 -0.71 1.37 2.76 -1.32 0.15 115.15 116.98 3du4 h HIS 441 Ca 0.29 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.57 3du4 h HIS 441 Cb 0.36 0.25 -0.09 0.00 1.55 0.00 0.00 27.41 29.49 3du4 h HIS 441 CO -0.19 -0.43 0.27 0.93 -1.30 0.00 0.00 177.93 177.20 3du4 h GLU 442 N -1.00 0.41 -0.03 5.26 5.08 -0.91 0.48 114.58 123.86 3du4 h GLU 442 Ca -0.08 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3du4 h GLU 442 Cb 0.68 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3du4 h GLU 442 CO 0.14 0.27 -0.05 0.28 -1.00 0.00 0.00 179.01 178.65 3du4 h VAL 443 N 0.42 1.43 0.00 3.13 2.07 -1.29 -3.36 116.25 118.64 3du4 h VAL 443 Ca 0.38 -1.35 -0.14 0.00 0.82 0.00 0.00 66.70 66.41 3du4 h VAL 443 Cb 0.56 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3du4 h VAL 443 CO -0.39 0.36 -0.68 0.00 0.02 0.00 0.00 177.57 176.89 3du4 h THR 444 N -0.44 1.05 0.00 2.57 1.03 -0.25 -2.82 112.91 114.04 3du4 h THR 444 Ca 0.00 -2.50 0.00 0.00 -0.01 0.00 0.00 66.41 63.90 3du4 h THR 444 Cb 0.62 2.51 0.00 0.00 -1.07 0.00 0.00 68.15 70.20 3du4 h THR 444 CO 0.01 0.60 0.00 -1.54 -0.01 0.00 0.00 175.52 174.58 3du4 n SER 445 N -3.24 0.12 -0.68 0.00 3.41 0.16 -1.18 113.62 112.22 3du4 n SER 445 Ca 0.01 0.55 0.06 0.00 -0.26 0.00 0.00 58.87 59.22 3du4 n SER 445 Cb 0.79 -0.57 0.16 0.00 -0.26 0.00 0.00 64.21 64.34 3du4 n SER 445 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3du4 n LEU 446 N -1.65 3.03 -3.18 1.04 4.77 -1.07 -4.98 117.00 114.95 3du4 n LEU 446 Ca 0.01 -2.07 -0.18 0.00 -0.03 0.00 0.00 56.01 53.73 3du4 n LEU 446 Cb 0.07 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 3du4 n LEU 446 CO 0.07 0.73 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.09 3du4 n GLU 447 N 0.47 -0.91 0.00 3.23 1.02 -0.32 -5.14 120.64 118.99 3du4 n GLU 447 Ca 0.13 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3du4 n GLU 447 Cb 0.46 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 3du4 n GLU 447 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06