#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm6 s PRO -3 N 0.00 4.17 -0.04 4.33 0.04 -1.26 -5.02 135.00 137.23 2dm6 s PRO -3 Ca 0.00 2.31 0.01 0.00 0.04 0.00 0.00 61.00 63.36 2dm6 s PRO -3 Cb 0.00 -2.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 2dm6 s PRO -3 CO 0.00 -0.38 -0.04 -1.21 0.04 0.00 0.00 177.00 175.41 2dm6 s GLU -2 N -2.01 2.76 -0.10 4.56 2.02 -1.26 -5.12 118.70 119.56 2dm6 s GLU -2 Ca 0.52 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.93 2dm6 s GLU -2 Cb -0.41 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 2dm6 s GLU -2 CO 0.55 0.65 -0.07 -0.06 0.02 0.00 0.00 175.26 176.35 2dm6 s PHE -1 N -0.93 2.94 0.30 1.61 0.08 -1.26 -5.09 117.98 115.63 2dm6 s PHE -1 Ca 0.15 -0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.75 2dm6 s PHE -1 Cb -0.11 -1.80 -0.10 0.00 -0.57 0.00 0.00 43.02 40.43 2dm6 s PHE -1 CO 0.05 0.15 1.40 1.41 -0.10 0.00 0.00 175.22 178.13 2dm6 s MET 1 N -0.31 4.28 -0.19 0.44 -2.45 -1.26 -5.01 119.30 114.81 2dm6 s MET 1 Ca 0.04 2.31 -0.12 0.00 -1.25 0.00 0.00 55.69 56.67 2dm6 s MET 1 Cb -0.13 -3.07 -0.05 0.00 1.25 0.00 0.00 34.83 32.83 2dm6 s MET 1 CO 0.02 -0.35 0.23 0.08 1.05 0.00 0.00 175.02 176.06 2dm6 s VAL 2 N -0.59 5.34 -0.33 10.11 1.01 -1.26 -5.02 120.40 129.67 2dm6 s VAL 2 Ca 0.55 0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.81 2dm6 s VAL 2 Cb -0.42 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2dm6 s VAL 2 CO 0.50 0.39 0.21 -0.54 0.00 0.00 0.00 175.10 175.66 2dm6 s LYS 3 N 0.60 3.51 -0.26 2.72 -0.14 -1.26 -1.05 119.74 123.86 2dm6 s LYS 3 Ca 0.13 -0.62 -0.11 0.00 -1.36 0.00 0.00 55.97 54.00 2dm6 s LYS 3 Cb -0.13 -3.73 -0.05 0.00 -1.68 0.00 0.00 37.83 32.24 2dm6 s LYS 3 CO 0.02 -0.41 0.20 0.00 -0.76 0.00 0.00 175.35 174.40 2dm6 s ALA 4 N 1.70 3.57 -0.02 5.17 0.00 0.49 -4.83 121.76 127.84 2dm6 s ALA 4 Ca 0.06 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.91 2dm6 s ALA 4 Cb -0.17 -2.43 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 2dm6 s ALA 4 CO 0.10 -0.37 0.44 0.15 0.00 0.00 0.00 175.76 176.07 2dm6 s LYS 5 N 1.42 4.06 0.01 0.00 1.02 -1.26 -1.10 119.74 123.88 2dm6 s LYS 5 Ca 0.08 0.45 0.02 0.00 0.02 0.00 0.00 55.97 56.54 2dm6 s LYS 5 Cb -0.15 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 2dm6 s LYS 5 CO 0.08 0.55 -0.07 -1.12 -0.92 0.00 0.00 175.35 173.87 2dm6 s SER 6 N -0.65 0.79 -0.26 2.83 0.01 -0.12 -0.77 113.70 115.53 2dm6 s SER 6 Ca 0.25 -0.23 -0.17 0.00 1.31 0.00 0.00 55.95 57.10 2dm6 s SER 6 Cb -0.17 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2dm6 s SER 6 CO 0.13 0.00 0.48 0.26 0.41 0.00 0.00 173.24 174.52 2dm6 s TRP 7 N -0.47 3.26 0.14 2.43 0.52 -0.48 -0.96 118.94 123.38 2dm6 s TRP 7 Ca -0.01 0.58 0.04 0.00 0.02 0.00 0.00 56.10 56.73 2dm6 s TRP 7 Cb -0.04 -2.68 -0.04 0.00 -1.15 0.00 0.00 33.47 29.56 2dm6 s TRP 7 CO 0.00 -0.26 0.18 0.95 0.02 0.00 0.00 176.95 177.84 2dm6 s THR 8 N 2.22 4.81 -0.65 2.01 -4.23 0.23 -1.13 115.64 118.90 2dm6 s THR 8 Ca 0.20 -0.86 -0.27 0.00 -1.18 0.00 0.00 61.69 59.58 2dm6 s THR 8 Cb -0.16 -3.43 0.04 0.00 1.34 0.00 0.00 72.50 70.29 2dm6 s THR 8 CO 0.09 -0.05 1.17 -0.22 -0.54 0.00 0.00 174.62 175.08 2dm6 s LEU 9 N -2.98 3.51 0.10 4.79 2.96 -0.08 -1.18 118.68 125.80 2dm6 s LEU 9 Ca 0.32 -0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 53.80 2dm6 s LEU 9 Cb -0.11 -2.81 -0.08 0.00 0.50 0.00 0.00 46.19 43.69 2dm6 s LEU 9 CO 0.25 -1.59 1.43 0.50 -1.32 0.00 0.00 176.35 175.62 2dm6 h LYS 10 N 9.71 0.69 -3.24 1.98 3.64 -0.49 0.52 116.57 129.39 2dm6 h LYS 10 Ca -0.27 -0.35 -0.21 0.00 -1.27 0.00 0.00 60.65 58.55 2dm6 h LYS 10 Cb 1.06 0.01 -0.29 0.00 -0.41 0.00 0.00 32.23 32.60 2dm6 h LYS 10 CO 1.21 0.96 -0.54 0.21 -2.27 0.00 0.00 179.45 179.03 2dm6 s LYS 11 N -4.40 0.16 0.37 1.90 2.20 -0.81 -4.48 119.74 114.68 2dm6 s LYS 11 Ca -0.12 0.34 -0.26 0.00 -0.36 0.00 0.00 55.97 55.56 2dm6 s LYS 11 Cb 0.09 -0.04 -0.12 0.00 -1.51 0.00 0.00 37.83 36.25 2dm6 s LYS 11 CO 0.82 -0.10 1.15 0.72 -0.36 0.00 0.00 175.35 177.58 2dm6 n HIS 12 N 3.64 1.73 -2.05 4.03 8.25 -1.26 -4.76 115.22 124.80 2dm6 n HIS 12 Ca -0.20 0.57 -0.41 0.00 -0.26 0.00 0.00 57.72 57.43 2dm6 n HIS 12 Cb 0.55 -2.32 -0.02 0.00 1.12 0.00 0.00 29.99 29.32 2dm6 n HIS 12 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2dm6 s PHE 13 N -1.16 3.01 -0.25 4.41 0.08 -1.26 -5.01 117.98 117.80 2dm6 s PHE 13 Ca 0.59 1.20 0.01 0.00 0.12 0.00 0.00 56.93 58.85 2dm6 s PHE 13 Cb -0.58 -3.77 0.07 0.00 -0.57 0.00 0.00 43.02 38.17 2dm6 s PHE 13 CO 0.59 -2.34 -0.02 -0.65 -0.10 0.00 0.00 175.22 172.70 2dm6 s GLN 14 N -1.03 1.47 6.95 0.44 -1.52 -1.26 -5.01 119.66 119.70 2dm6 s GLN 14 Ca 0.55 -1.04 0.00 0.00 -1.95 0.00 0.00 55.36 52.92 2dm6 s GLN 14 Cb -0.41 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 29.82 2dm6 s GLN 14 CO 0.48 -0.67 0.00 0.41 -0.25 0.00 0.00 175.29 175.26 2dm6 n GLY 15 N 4.67 2.18 3.73 3.09 0.00 -1.25 -4.70 105.19 112.91 2dm6 n GLY 15 Ca -0.10 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 2dm6 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm6 s LYS 16 N 0.00 4.44 0.52 1.61 1.02 -1.26 -4.69 119.74 121.38 2dm6 s LYS 16 Ca 0.00 1.92 -0.22 0.00 0.02 0.00 0.00 55.97 57.69 2dm6 s LYS 16 Cb 0.00 -3.25 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 2dm6 s LYS 16 CO 0.00 -0.19 1.32 -2.14 -0.92 0.00 0.00 175.35 173.41 2dm6 s PRO 17 N 0.15 3.30 0.22 -1.68 0.02 -1.26 -5.05 135.00 130.70 2dm6 s PRO 17 Ca 0.56 2.14 0.04 0.00 0.02 0.00 0.00 61.00 63.76 2dm6 s PRO 17 Cb -0.33 -2.31 -0.05 0.00 0.02 0.00 0.00 34.50 31.83 2dm6 s PRO 17 CO 0.35 -1.03 -0.03 0.95 -0.33 0.00 0.00 177.00 176.91 2dm6 s THR 18 N -1.35 1.10 0.34 0.99 -4.23 -1.26 -4.94 115.64 106.29 2dm6 s THR 18 Ca 0.69 -2.05 0.09 0.00 -1.18 0.00 0.00 61.69 59.25 2dm6 s THR 18 Cb -0.38 -2.26 0.33 0.00 1.34 0.00 0.00 72.50 71.52 2dm6 s THR 18 CO 0.45 -0.40 1.80 -0.61 -0.54 0.00 0.00 174.62 175.33 2dm6 h GLN 19 N 2.51 0.65 0.00 3.99 5.75 -1.95 -1.83 115.11 124.23 2dm6 h GLN 19 Ca -0.38 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 2dm6 h GLN 19 Cb 1.22 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.62 2dm6 h GLN 19 CO 0.64 0.43 0.00 0.66 -2.65 0.00 0.00 178.83 177.91 2dm6 h SER 20 N 0.67 0.00 0.84 -0.69 4.64 -2.01 -1.80 113.55 115.20 2dm6 h SER 20 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2dm6 h SER 20 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2dm6 h SER 20 CO -0.31 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.12 2dm6 n ASP 21 N -2.93 0.41 -4.54 4.97 8.00 -0.69 -4.71 116.55 117.07 2dm6 n ASP 21 Ca -0.01 0.58 -0.30 0.00 0.71 0.00 0.00 54.79 55.76 2dm6 n ASP 21 Cb 0.16 -0.67 -0.11 0.00 -0.02 0.00 0.00 41.12 40.48 2dm6 n ASP 21 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2dm6 s PHE 22 N -3.14 2.69 -0.03 1.24 0.08 -0.68 0.26 117.98 118.39 2dm6 s PHE 22 Ca 0.08 -0.18 -0.00 0.00 0.12 0.00 0.00 56.93 56.95 2dm6 s PHE 22 Cb 0.11 -1.45 0.03 0.00 -0.57 0.00 0.00 43.02 41.14 2dm6 s PHE 22 CO 0.41 0.37 0.02 -2.00 -0.10 0.00 0.00 175.22 173.92 2dm6 s GLU 23 N -1.89 0.19 0.10 0.44 2.12 -0.33 -4.74 118.70 114.60 2dm6 s GLU 23 Ca 0.19 0.16 -0.26 0.00 0.36 0.00 0.00 54.97 55.41 2dm6 s GLU 23 Cb -0.11 -0.48 -0.07 0.00 0.26 0.00 0.00 34.13 33.74 2dm6 s GLU 23 CO 0.10 -0.19 0.80 -1.17 -0.54 0.00 0.00 175.26 174.26 2dm6 s LEU 24 N 1.32 4.52 0.06 2.70 2.96 -1.26 -0.60 118.68 128.37 2dm6 s LEU 24 Ca -0.06 1.58 0.05 0.00 -0.22 0.00 0.00 54.13 55.48 2dm6 s LEU 24 Cb -0.13 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 2dm6 s LEU 24 CO -0.03 0.08 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.41 2dm6 s LYS 25 N -0.49 0.84 -0.12 1.98 1.02 -0.13 -4.96 119.74 117.89 2dm6 s LYS 25 Ca 0.39 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.55 2dm6 s LYS 25 Cb -0.22 -0.84 0.01 0.00 -0.52 0.00 0.00 37.83 36.26 2dm6 s LYS 25 CO 0.25 0.19 -0.21 0.99 -0.92 0.00 0.00 175.35 175.66 2dm6 s THR 26 N -1.09 1.90 -0.05 2.17 2.01 -1.26 -0.94 115.64 118.38 2dm6 s THR 26 Ca -0.01 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.15 2dm6 s THR 26 Cb -0.09 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2dm6 s THR 26 CO 0.02 0.52 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.56 2dm6 s VAL 27 N 0.67 1.79 -0.36 3.82 1.01 -0.26 -4.97 120.40 122.10 2dm6 s VAL 27 Ca -0.12 -0.93 -0.26 0.00 0.00 0.00 0.00 61.98 60.67 2dm6 s VAL 27 Cb -0.16 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.72 2dm6 s VAL 27 CO 0.02 0.50 0.94 -1.61 0.00 0.00 0.00 175.10 174.96 2dm6 s GLU 28 N -0.15 3.88 0.49 2.72 2.02 -1.26 -0.38 118.70 126.01 2dm6 s GLU 28 Ca -0.02 0.65 -0.21 0.00 0.02 0.00 0.00 54.97 55.41 2dm6 s GLU 28 Cb -0.12 -3.79 -0.07 0.00 0.10 0.00 0.00 34.13 30.25 2dm6 s GLU 28 CO 0.02 -0.94 1.13 -0.51 0.02 0.00 0.00 175.26 174.98 2dm6 s LEU 29 N 3.50 3.90 0.86 1.80 1.43 -0.21 -4.99 118.68 124.97 2dm6 s LEU 29 Ca 0.39 2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 55.56 2dm6 s LEU 29 Cb -0.12 -4.41 0.11 0.00 0.03 0.00 0.00 46.19 41.80 2dm6 s LEU 29 CO 0.18 -0.99 1.09 -2.16 0.23 0.00 0.00 176.35 174.71 2dm6 s PRO 30 N -2.98 1.54 0.72 1.29 0.04 -1.26 -4.58 135.00 129.76 2dm6 s PRO 30 Ca 0.67 0.81 -0.14 0.00 0.04 0.00 0.00 61.00 62.38 2dm6 s PRO 30 Cb -0.25 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2dm6 s PRO 30 CO 0.29 -2.04 1.16 -2.14 0.04 0.00 0.00 177.00 174.31 2dm6 s PRO 31 N -4.98 2.32 0.19 0.56 0.02 -1.26 -4.96 135.00 126.89 2dm6 s PRO 31 Ca 0.63 1.57 -0.30 0.00 0.02 0.00 0.00 61.00 62.91 2dm6 s PRO 31 Cb -0.17 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 2dm6 s PRO 31 CO 0.56 -1.66 1.39 -0.51 -0.33 0.00 0.00 177.00 176.46 2dm6 s LEU 32 N -5.19 4.39 0.60 -5.54 1.43 -1.26 -5.03 118.68 108.08 2dm6 s LEU 32 Ca 0.70 2.49 -0.04 0.00 -1.03 0.00 0.00 54.13 56.25 2dm6 s LEU 32 Cb -0.25 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.40 2dm6 s LEU 32 CO 0.45 -0.63 0.87 -0.54 0.23 0.00 0.00 176.35 176.73 2dm6 s LYS 33 N 0.17 2.63 0.37 1.70 1.02 -1.26 -5.01 119.74 119.36 2dm6 s LYS 33 Ca 0.60 -0.33 -0.28 0.00 0.02 0.00 0.00 55.97 55.98 2dm6 s LYS 33 Cb -0.39 -2.33 -0.11 0.00 -0.52 0.00 0.00 37.83 34.48 2dm6 s LYS 33 CO 0.37 -0.81 1.49 1.21 -0.92 0.00 0.00 175.35 176.70 2dm6 s ASN 34 N -4.39 6.34 0.00 2.83 3.84 -1.26 -2.24 114.94 120.06 2dm6 s ASN 34 Ca 0.56 3.05 0.00 0.00 0.21 0.00 0.00 52.86 56.67 2dm6 s ASN 34 Cb -0.10 -2.67 0.00 0.00 -0.55 0.00 0.00 41.25 37.93 2dm6 s ASN 34 CO 0.42 -0.88 0.00 0.61 -2.79 0.00 0.00 177.10 174.47 2dm6 n GLY 35 N 0.57 1.60 3.82 1.21 0.00 -0.29 -5.01 105.19 107.10 2dm6 n GLY 35 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2dm6 n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dm6 s GLU 36 N -0.38 2.96 0.06 1.61 2.02 -0.95 -4.48 118.70 119.54 2dm6 s GLU 36 Ca 0.00 -0.88 0.06 0.00 0.02 0.00 0.00 54.97 54.17 2dm6 s GLU 36 Cb 0.00 -2.66 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 2dm6 s GLU 36 CO 0.00 0.47 -0.17 0.14 0.02 0.00 0.00 175.26 175.72 2dm6 s VAL 37 N -1.83 1.35 -0.24 2.63 -7.23 0.10 -0.31 120.40 114.88 2dm6 s VAL 37 Ca 0.32 -1.23 -0.10 0.00 -1.81 0.00 0.00 61.98 59.16 2dm6 s VAL 37 Cb -0.10 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 2dm6 s VAL 37 CO 0.24 -0.02 0.14 -0.22 -0.31 0.00 0.00 175.10 174.93 2dm6 s LEU 38 N -1.45 3.97 -0.03 1.32 2.96 0.61 -1.13 118.68 124.94 2dm6 s LEU 38 Ca 0.03 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 2dm6 s LEU 38 Cb -0.09 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 2dm6 s LEU 38 CO 0.02 0.05 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.28 2dm6 s LEU 39 N 1.16 3.22 -0.17 -0.68 2.01 0.23 -0.75 118.68 123.70 2dm6 s LEU 39 Ca 0.07 -0.07 0.01 0.00 0.01 0.00 0.00 54.13 54.14 2dm6 s LEU 39 Cb -0.14 -1.79 0.02 0.00 0.01 0.00 0.00 46.19 44.29 2dm6 s LEU 39 CO 0.05 0.32 -0.20 -0.70 1.01 0.00 0.00 176.35 176.83 2dm6 s GLU 40 N -1.18 3.01 0.24 1.70 2.12 -0.30 -1.53 118.70 122.76 2dm6 s GLU 40 Ca 0.15 -0.83 -0.31 0.00 0.36 0.00 0.00 54.97 54.34 2dm6 s GLU 40 Cb -0.11 -2.56 -0.13 0.00 0.26 0.00 0.00 34.13 31.59 2dm6 s GLU 40 CO 0.05 -0.17 1.46 0.00 -0.54 0.00 0.00 175.26 176.06 2dm6 n ALA 41 N 4.52 1.38 -0.10 6.30 0.00 0.75 -1.09 120.51 132.27 2dm6 n ALA 41 Ca -0.21 0.41 -0.22 0.00 0.00 0.00 0.00 53.44 53.42 2dm6 n ALA 41 Cb 0.50 -2.31 -0.07 0.00 0.00 0.00 0.00 19.45 17.57 2dm6 n ALA 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dm6 n LEU 42 N 2.31 1.52 -3.84 0.00 4.77 0.37 -4.71 117.00 117.43 2dm6 n LEU 42 Ca 0.12 0.26 -0.17 0.00 -0.03 0.00 0.00 56.01 56.19 2dm6 n LEU 42 Cb 0.32 -0.63 -0.16 0.00 -2.33 0.00 0.00 43.42 40.62 2dm6 n LEU 42 CO 0.63 0.39 -0.38 -0.36 -1.33 0.00 0.00 177.39 176.34 2dm6 s PHE 43 N -2.41 0.34 -0.05 -1.77 0.08 -0.93 -1.98 117.98 111.27 2dm6 s PHE 43 Ca -0.29 -0.02 0.06 0.00 0.12 0.00 0.00 56.93 56.79 2dm6 s PHE 43 Cb 0.11 -0.40 -0.02 0.00 -0.57 0.00 0.00 43.02 42.14 2dm6 s PHE 43 CO 0.37 -0.12 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.64 2dm6 s LEU 44 N 0.87 2.23 0.21 -0.37 1.02 0.12 -0.69 118.68 122.08 2dm6 s LEU 44 Ca -0.09 -0.42 -0.17 0.00 0.02 0.00 0.00 54.13 53.46 2dm6 s LEU 44 Cb -0.12 -1.41 -0.08 0.00 0.02 0.00 0.00 46.19 44.60 2dm6 s LEU 44 CO -0.01 0.29 0.67 -0.55 0.02 0.00 0.00 176.35 176.77 2dm6 s SER 45 N -0.41 6.95 -0.03 2.29 0.15 -0.81 -0.02 113.70 121.82 2dm6 s SER 45 Ca 0.04 1.29 0.06 0.00 0.70 0.00 0.00 55.95 58.05 2dm6 s SER 45 Cb -0.12 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 2dm6 s SER 45 CO 0.01 0.02 -0.23 0.68 1.20 0.00 0.00 173.24 174.93 2dm6 s VAL 46 N -1.57 2.32 -0.01 4.45 -7.23 -1.24 -4.68 120.40 112.44 2dm6 s VAL 46 Ca 0.43 -1.00 -0.07 0.00 -1.81 0.00 0.00 61.98 59.53 2dm6 s VAL 46 Cb -0.15 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.95 2dm6 s VAL 46 CO 0.20 0.58 0.14 -1.81 -0.31 0.00 0.00 175.10 173.90 2dm6 s ASP 47 N -0.57 -0.01 0.30 4.85 1.11 -1.26 -4.69 116.67 116.41 2dm6 s ASP 47 Ca 0.08 -0.11 0.06 0.00 0.18 0.00 0.00 52.55 52.76 2dm6 s ASP 47 Cb -0.11 0.23 0.77 0.00 1.07 0.00 0.00 42.92 44.88 2dm6 s ASP 47 CO 0.00 -0.31 1.73 -0.65 1.18 0.00 0.00 175.17 177.12 2dm6 h PRO 48 N 4.58 0.55 -0.52 8.23 0.11 -1.97 -2.41 132.00 140.57 2dm6 h PRO 48 Ca -0.30 -0.03 0.15 0.00 0.11 0.00 0.00 66.00 65.93 2dm6 h PRO 48 Cb 1.19 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2dm6 h PRO 48 CO 0.41 0.36 0.39 0.10 -0.21 0.00 0.00 178.00 179.05 2dm6 h TYR 49 N 0.56 0.00 -0.08 0.65 -0.00 -2.01 0.71 116.97 116.80 2dm6 h TYR 49 Ca 0.59 0.00 0.02 0.00 0.00 0.00 0.00 58.73 59.34 2dm6 h TYR 49 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.78 2dm6 h TYR 49 CO -0.06 0.00 0.06 0.52 -0.00 0.00 0.00 178.16 178.68 2dm6 h MET 50 N 0.00 0.00 -0.41 0.10 2.86 -1.81 0.17 114.93 115.84 2dm6 h MET 50 Ca 0.25 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.84 2dm6 h MET 50 Cb 1.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 2dm6 h MET 50 CO -0.00 0.00 0.07 -0.09 1.06 0.00 0.00 176.91 177.95 2dm6 h ARG 51 N 0.00 0.62 0.05 1.72 9.65 -1.03 -2.29 114.38 123.09 2dm6 h ARG 51 Ca 0.04 -0.12 -0.27 0.00 -1.10 0.00 0.00 59.98 58.53 2dm6 h ARG 51 Cb 0.15 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 2dm6 h ARG 51 CO -0.00 0.59 -1.45 0.82 2.80 0.00 0.00 179.97 182.72 2dm6 h ILE 52 N 0.60 0.86 -0.21 1.20 1.08 -1.25 -3.39 117.51 116.41 2dm6 h ILE 52 Ca 0.13 -2.25 0.03 0.00 -0.39 0.00 0.00 64.86 62.39 2dm6 h ILE 52 Cb 0.27 2.37 -0.01 0.00 -3.07 0.00 0.00 36.82 36.38 2dm6 h ILE 52 CO 0.00 0.52 0.14 0.00 -0.69 0.00 0.00 178.15 178.12 2dm6 h ALA 53 N -0.29 2.01 -0.62 1.87 0.00 -0.79 -2.42 119.26 119.02 2dm6 h ALA 53 Ca -0.36 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.70 2dm6 h ALA 53 Cb 1.54 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2dm6 h ALA 53 CO -0.10 -0.04 0.44 0.66 0.00 0.00 0.00 179.25 180.21 2dm6 h SER 54 N 0.15 0.10 0.06 0.00 4.64 -1.60 -2.22 113.55 114.68 2dm6 h SER 54 Ca 0.09 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2dm6 h SER 54 Cb 0.17 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2dm6 h SER 54 CO -0.01 0.05 -0.02 0.11 -0.87 0.00 0.00 176.83 176.09 2dm6 h LYS 55 N 0.11 0.00 0.00 4.77 1.57 -1.67 -1.38 116.57 119.97 2dm6 h LYS 55 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2dm6 h LYS 55 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2dm6 h LYS 55 CO -0.03 0.02 -0.43 0.54 -0.57 0.00 0.00 179.45 178.97 2dm6 n ARG 56 N -3.74 0.20 -2.26 3.15 5.12 -0.83 -4.91 116.66 113.39 2dm6 n ARG 56 Ca -0.03 0.08 -0.35 0.00 -1.93 0.00 0.00 57.85 55.63 2dm6 n ARG 56 Cb 0.10 -1.65 -0.00 0.00 -1.16 0.00 0.00 32.46 29.75 2dm6 n ARG 56 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2dm6 s LEU 57 N -3.92 3.73 0.13 0.55 1.43 -0.52 -5.03 118.68 115.05 2dm6 s LEU 57 Ca 0.09 2.12 -0.29 0.00 -1.03 0.00 0.00 54.13 55.01 2dm6 s LEU 57 Cb 0.15 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.73 2dm6 s LEU 57 CO 0.68 -1.18 0.93 -0.75 0.23 0.00 0.00 176.35 176.26 2dm6 s LYS 58 N -3.35 4.70 0.37 1.70 2.20 -1.26 -5.02 119.74 119.07 2dm6 s LYS 58 Ca 0.71 1.40 -0.27 0.00 -0.36 0.00 0.00 55.97 57.45 2dm6 s LYS 58 Cb -0.22 -3.36 -0.11 0.00 -1.51 0.00 0.00 37.83 32.63 2dm6 s LYS 58 CO 0.27 0.28 1.35 0.39 -0.36 0.00 0.00 175.35 177.29 2dm6 n GLU 59 N 2.54 2.27 0.00 4.03 1.02 -1.26 -1.50 120.64 127.73 2dm6 n GLU 59 Ca 0.01 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 2dm6 n GLU 59 Cb 0.49 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 2dm6 n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dm6 n GLY 60 N 0.67 1.71 3.80 0.62 0.00 0.18 -5.01 105.19 107.16 2dm6 n GLY 60 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2dm6 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm6 s ALA 61 N -2.33 2.84 0.30 4.61 0.00 -0.56 -4.70 121.76 121.92 2dm6 s ALA 61 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.22 2dm6 s ALA 61 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 2dm6 s ALA 61 CO 0.00 -0.43 1.40 0.08 0.00 0.00 0.00 175.76 176.81 2dm6 s VAL 62 N -2.10 2.58 0.44 0.00 1.01 -1.26 -0.90 120.40 120.17 2dm6 s VAL 62 Ca 0.66 0.54 -0.25 0.00 0.00 0.00 0.00 61.98 62.93 2dm6 s VAL 62 Cb -0.16 -3.34 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 2dm6 s VAL 62 CO 0.24 0.11 1.39 -0.04 0.00 0.00 0.00 175.10 176.80 2dm6 s MET 63 N -1.18 3.74 0.52 2.72 1.00 -0.28 -4.82 119.30 120.99 2dm6 s MET 63 Ca 0.54 2.34 -0.15 0.00 0.00 0.00 0.00 55.69 58.42 2dm6 s MET 63 Cb -0.42 -2.67 -0.07 0.00 0.00 0.00 0.00 34.83 31.67 2dm6 s MET 63 CO 0.50 -0.75 0.97 0.00 0.00 0.00 0.00 175.02 175.74 2dm6 s MET 64 N -2.41 3.89 0.00 2.03 0.23 -1.26 -1.52 119.30 120.25 2dm6 s MET 64 Ca 0.60 0.88 0.00 0.00 -1.03 0.00 0.00 55.69 56.14 2dm6 s MET 64 Cb -0.42 -2.15 0.00 0.00 -1.53 0.00 0.00 34.83 30.73 2dm6 s MET 64 CO 0.54 -0.28 0.00 0.41 -2.03 0.00 0.00 175.02 173.66 2dm6 n GLY 65 N -1.69 2.62 3.90 3.16 0.00 -1.26 -4.60 105.19 107.31 2dm6 n GLY 65 Ca 0.06 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 2dm6 n GLY 65 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dm6 s GLN 66 N -2.02 3.57 0.04 1.61 0.74 -1.26 -0.68 119.66 121.66 2dm6 s GLN 66 Ca 0.00 -0.15 -0.04 0.00 0.05 0.00 0.00 55.36 55.22 2dm6 s GLN 66 Cb 0.00 -2.98 -0.02 0.00 1.10 0.00 0.00 33.01 31.11 2dm6 s GLN 66 CO 0.00 0.57 0.05 1.14 -0.55 0.00 0.00 175.29 176.50 2dm6 s GLN 67 N -2.27 0.56 -0.18 1.67 -2.07 -0.18 -1.93 119.66 115.27 2dm6 s GLN 67 Ca 0.34 -0.84 -0.17 0.00 -1.82 0.00 0.00 55.36 52.87 2dm6 s GLN 67 Cb -0.13 0.21 -0.04 0.00 -1.09 0.00 0.00 33.01 31.97 2dm6 s GLN 67 CO 0.22 -0.13 0.44 0.08 -1.32 0.00 0.00 175.29 174.58 2dm6 s VAL 68 N -2.77 5.18 0.10 3.63 1.01 0.13 -1.42 120.40 126.27 2dm6 s VAL 68 Ca -0.04 0.81 0.04 0.00 0.00 0.00 0.00 61.98 62.79 2dm6 s VAL 68 Cb -0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2dm6 s VAL 68 CO -0.05 0.26 -0.10 0.00 0.00 0.00 0.00 175.10 175.21 2dm6 s ALA 69 N 1.18 1.13 -0.11 5.51 0.00 -0.14 -0.48 121.76 128.85 2dm6 s ALA 69 Ca 0.22 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.90 2dm6 s ALA 69 Cb -0.15 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2dm6 s ALA 69 CO 0.09 -0.06 0.03 0.50 0.00 0.00 0.00 175.76 176.32 2dm6 s ARG 70 N -2.99 3.30 -0.42 0.00 3.52 -0.25 -1.31 118.95 120.81 2dm6 s ARG 70 Ca 0.07 -0.35 -0.28 0.00 -0.13 0.00 0.00 55.73 55.03 2dm6 s ARG 70 Cb -0.02 -2.95 -0.00 0.00 -1.56 0.00 0.00 34.95 30.42 2dm6 s ARG 70 CO -0.00 0.60 1.59 0.08 -0.81 0.00 0.00 175.30 176.76 2dm6 s VAL 71 N -0.58 3.69 -0.04 7.11 1.01 -0.43 -1.15 120.40 130.01 2dm6 s VAL 71 Ca 0.10 0.67 -0.22 0.00 0.00 0.00 0.00 61.98 62.53 2dm6 s VAL 71 Cb -0.12 -4.01 -0.29 0.00 0.00 0.00 0.00 36.38 31.96 2dm6 s VAL 71 CO 0.02 -0.70 0.94 0.58 0.00 0.00 0.00 175.10 175.94 2dm6 h VAL 72 N 6.62 1.51 -3.53 2.92 2.07 -1.28 0.30 116.25 124.86 2dm6 h VAL 72 Ca -0.29 -2.41 -0.13 0.00 0.82 0.00 0.00 66.70 64.69 2dm6 h VAL 72 Cb 1.13 3.06 -0.19 0.00 -1.52 0.00 0.00 31.29 33.77 2dm6 h VAL 72 CO 1.09 0.68 -0.45 -1.83 0.02 0.00 0.00 177.57 177.08 2dm6 s GLU 73 N -2.62 0.57 -0.09 1.57 -1.05 -1.21 -4.71 118.70 111.16 2dm6 s GLU 73 Ca -0.14 -0.50 -0.06 0.00 -0.15 0.00 0.00 54.97 54.13 2dm6 s GLU 73 Cb 0.01 0.24 0.04 0.00 -0.44 0.00 0.00 34.13 33.98 2dm6 s GLU 73 CO 0.82 -0.15 0.23 0.45 0.95 0.00 0.00 175.26 177.56 2dm6 s SER 74 N -1.67 -0.24 -0.17 0.83 0.15 -1.26 -0.28 113.70 111.06 2dm6 s SER 74 Ca -0.11 0.47 0.16 0.00 0.70 0.00 0.00 55.95 57.17 2dm6 s SER 74 Cb -0.05 0.39 0.37 0.00 -1.71 0.00 0.00 66.02 65.03 2dm6 s SER 74 CO -0.00 -0.14 1.23 0.29 1.20 0.00 0.00 173.24 175.82 2dm6 n LYS 75 N 3.92 1.63 -4.06 5.44 5.02 0.58 -4.92 118.16 125.77 2dm6 n LYS 75 Ca -0.22 -2.86 -0.32 0.00 -2.02 0.00 0.00 58.31 52.89 2dm6 n LYS 75 Cb 0.54 -1.61 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 2dm6 n LYS 75 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2dm6 s ASN 76 N -2.82 4.19 0.58 4.39 3.84 -1.23 -1.13 114.94 122.77 2dm6 s ASN 76 Ca 0.36 -1.27 0.28 0.00 0.21 0.00 0.00 52.86 52.44 2dm6 s ASN 76 Cb 0.32 -1.49 1.64 0.00 -0.55 0.00 0.00 41.25 41.17 2dm6 s ASN 76 CO 0.01 -0.17 2.13 0.77 -2.79 0.00 0.00 177.10 177.05 2dm6 h SER 77 N 7.82 0.00 1.35 -4.21 4.64 -1.93 -1.03 113.55 120.19 2dm6 h SER 77 Ca -0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2dm6 h SER 77 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2dm6 h SER 77 CO 0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 176.42 2dm6 h ALA 78 N 1.84 1.00 -3.07 5.18 0.00 -1.98 -3.40 119.26 118.82 2dm6 h ALA 78 Ca 0.07 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.35 2dm6 h ALA 78 Cb 0.37 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.76 2dm6 h ALA 78 CO -0.00 0.02 -0.73 -0.06 0.00 0.00 0.00 179.25 178.48 2dm6 s PHE 79 N -3.50 2.13 0.44 0.00 0.08 -0.39 -5.12 117.98 111.62 2dm6 s PHE 79 Ca 0.03 -2.44 -0.26 0.00 0.12 0.00 0.00 56.93 54.38 2dm6 s PHE 79 Cb 0.08 -2.00 -0.09 0.00 -0.57 0.00 0.00 43.02 40.44 2dm6 s PHE 79 CO 0.59 -0.80 1.45 -2.30 -0.10 0.00 0.00 175.22 174.06 2dm6 n PRO 80 N 3.68 2.33 -1.71 0.24 -0.02 -1.26 -4.66 135.00 133.60 2dm6 n PRO 80 Ca 0.07 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 61.95 2dm6 n PRO 80 Cb 0.35 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.17 2dm6 n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dm6 n ALA 81 N -0.10 1.75 0.00 3.55 0.00 -1.26 -2.18 120.51 122.26 2dm6 n ALA 81 Ca 0.04 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2dm6 n ALA 81 Cb 0.41 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.51 2dm6 n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dm6 n GLY 82 N 1.71 1.87 3.83 0.00 0.00 0.11 -5.00 105.19 107.70 2dm6 n GLY 82 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2dm6 n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm6 s SER 83 N -2.01 5.53 -0.15 1.61 1.04 -0.93 -4.74 113.70 114.07 2dm6 s SER 83 Ca 0.00 1.54 -0.02 0.00 0.48 0.00 0.00 55.95 57.95 2dm6 s SER 83 Cb 0.00 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 2dm6 s SER 83 CO 0.00 -1.33 -0.07 -0.63 0.98 0.00 0.00 173.24 172.18 2dm6 s ILE 84 N -3.09 3.57 0.23 -1.02 -1.09 -1.26 -1.31 121.20 117.23 2dm6 s ILE 84 Ca 0.57 -0.47 0.07 0.00 -2.23 0.00 0.00 60.65 58.59 2dm6 s ILE 84 Cb -0.13 -2.54 -0.05 0.00 -1.58 0.00 0.00 42.46 38.15 2dm6 s ILE 84 CO 0.55 0.50 -0.11 0.68 -1.23 0.00 0.00 174.94 175.33 2dm6 s VAL 85 N 0.39 1.67 -0.13 2.92 -7.23 -0.42 -2.47 120.40 115.14 2dm6 s VAL 85 Ca -0.06 -2.18 -0.05 0.00 -1.81 0.00 0.00 61.98 57.88 2dm6 s VAL 85 Cb -0.15 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2dm6 s VAL 85 CO 0.04 -0.50 0.07 -0.76 -0.31 0.00 0.00 175.10 173.64 2dm6 s LEU 86 N -3.35 3.96 -0.02 1.32 1.43 0.15 -0.97 118.68 121.20 2dm6 s LEU 86 Ca 0.25 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.58 2dm6 s LEU 86 Cb 0.01 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.28 2dm6 s LEU 86 CO 0.08 0.33 0.07 0.00 0.23 0.00 0.00 176.35 177.07 2dm6 s ALA 87 N -0.59 -0.16 -0.34 4.21 0.00 -0.51 -0.40 121.76 123.97 2dm6 s ALA 87 Ca 0.11 0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 2dm6 s ALA 87 Cb -0.12 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.94 2dm6 s ALA 87 CO 0.02 -0.04 2.73 1.04 0.00 0.00 0.00 175.76 179.51 2dm6 n GLN 88 N 2.98 2.16 0.00 0.00 1.13 -1.26 -1.01 117.38 121.39 2dm6 n GLN 88 Ca -0.13 -1.88 0.14 0.00 -1.94 0.00 0.00 57.00 53.19 2dm6 n GLN 88 Cb 0.59 -1.97 0.59 0.00 0.11 0.00 0.00 30.24 29.56 2dm6 n GLN 88 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2dm6 n SER 89 N 1.05 0.37 0.00 1.08 3.41 -1.17 -4.62 113.62 113.74 2dm6 n SER 89 Ca 0.42 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2dm6 n SER 89 Cb 0.62 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2dm6 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm6 n GLY 90 N 1.33 -1.88 3.57 5.00 0.00 0.15 -4.62 105.19 108.74 2dm6 n GLY 90 Ca 0.12 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 2dm6 n GLY 90 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dm6 s TRP 91 N 0.00 2.81 -0.00 1.61 0.52 -0.58 -4.71 118.94 118.58 2dm6 s TRP 91 Ca 0.00 -1.57 -0.06 0.00 0.02 0.00 0.00 56.10 54.48 2dm6 s TRP 91 Cb 0.00 -4.72 0.00 0.00 -1.15 0.00 0.00 33.47 27.61 2dm6 s TRP 91 CO 0.00 -1.79 0.13 -0.08 0.02 0.00 0.00 176.95 175.22 2dm6 s THR 92 N 4.11 0.07 0.04 2.01 -1.32 -1.26 -1.38 115.64 117.91 2dm6 s THR 92 Ca 0.52 -0.60 -0.03 0.00 -1.21 0.00 0.00 61.69 60.37 2dm6 s THR 92 Cb 0.03 -0.39 -0.28 0.00 -1.51 0.00 0.00 72.50 70.36 2dm6 s THR 92 CO 0.05 -0.33 1.00 0.71 -2.21 0.00 0.00 174.62 173.84 2dm6 h THR 93 N 4.39 1.33 -3.86 5.08 1.35 -1.30 -3.41 112.91 116.49 2dm6 h THR 93 Ca -0.30 -2.95 -0.19 0.00 -0.55 0.00 0.00 66.41 62.43 2dm6 h THR 93 Cb 1.20 2.85 -0.23 0.00 -1.73 0.00 0.00 68.15 70.23 2dm6 h THR 93 CO 0.41 0.85 -0.69 -1.00 -0.25 0.00 0.00 175.52 174.84 2dm6 s HIS 94 N -2.64 0.16 0.04 4.73 3.76 -1.26 -0.18 115.29 119.90 2dm6 s HIS 94 Ca -0.06 -0.32 -0.22 0.00 -0.15 0.00 0.00 55.06 54.31 2dm6 s HIS 94 Cb 0.07 -0.12 0.05 0.00 1.11 0.00 0.00 32.58 33.69 2dm6 s HIS 94 CO 0.87 -0.13 0.50 -0.59 -0.85 0.00 0.00 174.74 174.53 2dm6 s PHE 95 N -0.96 -0.40 -0.15 1.40 -0.12 -0.58 -4.81 117.98 112.36 2dm6 s PHE 95 Ca -0.10 0.46 -0.07 0.00 -0.05 0.00 0.00 56.93 57.17 2dm6 s PHE 95 Cb -0.06 0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 42.59 2dm6 s PHE 95 CO -0.01 -0.61 0.08 0.42 -0.05 0.00 0.00 175.22 175.05 2dm6 s ILE 96 N -2.31 5.00 0.03 -4.49 1.01 -1.26 -0.60 121.20 118.59 2dm6 s ILE 96 Ca -0.06 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.67 2dm6 s ILE 96 Cb -0.01 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 2dm6 s ILE 96 CO -0.01 0.52 -0.14 -0.55 0.00 0.00 0.00 174.94 174.77 2dm6 s SER 97 N -0.22 1.60 -0.00 3.58 0.15 -0.28 -4.97 113.70 113.56 2dm6 s SER 97 Ca 0.09 -0.43 0.12 0.00 0.70 0.00 0.00 55.95 56.42 2dm6 s SER 97 Cb -0.12 -0.11 0.33 0.00 -1.71 0.00 0.00 66.02 64.42 2dm6 s SER 97 CO 0.01 0.04 1.28 -0.90 1.20 0.00 0.00 173.24 174.87 2dm6 n ASP 98 N 2.01 2.02 0.00 5.45 3.85 -1.26 0.02 116.55 128.63 2dm6 n ASP 98 Ca -0.18 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 51.90 2dm6 n ASP 98 Cb 0.55 -0.25 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 2dm6 n ASP 98 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2dm6 n GLY 99 N 1.09 3.03 0.25 6.12 0.00 -1.26 -4.82 105.19 109.60 2dm6 n GLY 99 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2dm6 n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dm6 h LYS 100 N 2.97 -0.21 -0.98 1.61 1.57 -1.96 -2.77 116.57 116.80 2dm6 h LYS 100 Ca 0.00 0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 58.17 2dm6 h LYS 100 Cb 0.00 0.05 -0.30 0.00 0.08 0.00 0.00 32.23 32.06 2dm6 h LYS 100 CO 0.00 -0.14 0.76 0.41 -0.57 0.00 0.00 179.45 179.91 2dm6 n GLY 101 N -1.36 5.46 3.45 3.86 0.00 -1.26 -4.95 105.19 110.39 2dm6 n GLY 101 Ca -0.01 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 2dm6 n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dm6 s LEU 102 N -3.66 3.27 -0.30 0.99 1.43 -1.05 -4.10 118.68 115.27 2dm6 s LEU 102 Ca 0.62 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.42 2dm6 s LEU 102 Cb 0.50 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 2dm6 s LEU 102 CO 0.03 0.06 0.17 -0.70 0.23 0.00 0.00 176.35 176.14 2dm6 s GLU 103 N 1.00 3.63 0.25 1.70 2.12 0.47 -4.96 118.70 122.91 2dm6 s GLU 103 Ca 0.02 -0.53 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 2dm6 s GLU 103 Cb -0.14 -3.60 -0.11 0.00 0.26 0.00 0.00 34.13 30.54 2dm6 s GLU 103 CO 0.02 -0.30 1.52 0.15 -0.54 0.00 0.00 175.26 176.11 2dm6 s LYS 104 N 1.68 4.20 0.47 4.30 1.02 -1.26 0.33 119.74 130.48 2dm6 s LYS 104 Ca 0.06 2.42 -0.23 0.00 0.02 0.00 0.00 55.97 58.24 2dm6 s LYS 104 Cb -0.16 -3.08 -0.08 0.00 -0.52 0.00 0.00 37.83 33.98 2dm6 s LYS 104 CO 0.08 -0.54 1.13 -0.11 -0.92 0.00 0.00 175.35 174.99 2dm6 n LEU 105 N 2.55 3.65 -4.71 3.17 7.94 -1.03 -4.82 117.00 123.75 2dm6 n LEU 105 Ca 0.09 1.01 -0.57 0.00 -1.11 0.00 0.00 56.01 55.42 2dm6 n LEU 105 Cb 0.39 -1.44 -0.07 0.00 0.53 0.00 0.00 43.42 42.83 2dm6 n LEU 105 CO 0.62 -1.17 1.32 -0.11 -1.11 0.00 0.00 177.39 176.94 2dm6 n LEU 106 N -0.03 2.38 -4.72 -1.96 7.94 -1.26 -4.92 117.00 114.43 2dm6 n LEU 106 Ca 0.09 1.08 -0.33 0.00 -1.11 0.00 0.00 56.01 55.74 2dm6 n LEU 106 Cb 0.42 -1.14 0.11 0.00 0.53 0.00 0.00 43.42 43.33 2dm6 n LEU 106 CO 0.56 -0.44 0.75 0.42 -1.11 0.00 0.00 177.39 177.57 2dm6 s THR 107 N 3.51 2.43 -1.26 1.96 -4.23 -1.26 -3.34 115.64 113.45 2dm6 s THR 107 Ca 0.98 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 61.68 2dm6 s THR 107 Cb -1.07 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2dm6 s THR 107 CO 0.66 -0.14 0.00 -0.62 -0.54 0.00 0.00 174.62 173.97 2dm6 n GLU 108 N -3.19 -1.11 -2.31 3.99 -0.58 -1.26 -4.98 120.64 111.20 2dm6 n GLU 108 Ca 0.12 0.74 -0.43 0.00 -0.42 0.00 0.00 57.16 57.18 2dm6 n GLU 108 Cb 0.51 -5.00 -0.02 0.00 -0.57 0.00 0.00 31.44 26.36 2dm6 n GLU 108 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 2dm6 s TRP 109 N -2.68 2.60 0.23 -0.32 -0.11 -1.21 -4.99 118.94 112.46 2dm6 s TRP 109 Ca 0.00 0.78 -0.30 0.00 1.22 0.00 0.00 56.10 57.81 2dm6 s TRP 109 Cb 0.00 -3.64 -0.09 0.00 -1.50 0.00 0.00 33.47 28.25 2dm6 s TRP 109 CO 0.00 -2.28 1.02 -2.14 -4.62 0.00 0.00 176.95 168.93 2dm6 s PRO 110 N 3.69 4.73 0.35 5.86 0.02 -1.26 -4.94 135.00 143.45 2dm6 s PRO 110 Ca 0.60 1.63 0.09 0.00 0.02 0.00 0.00 61.00 63.33 2dm6 s PRO 110 Cb -0.24 -3.26 0.81 0.00 0.02 0.00 0.00 34.50 31.83 2dm6 s PRO 110 CO 0.19 0.33 1.85 -0.44 -0.33 0.00 0.00 177.00 178.59 2dm6 h ASP 111 N 4.30 0.67 0.27 2.53 3.45 -2.02 -2.16 116.42 123.47 2dm6 h ASP 111 Ca -0.45 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.06 2dm6 h ASP 111 Cb 1.21 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 2dm6 h ASP 111 CO 0.69 0.32 0.00 0.07 -1.57 0.00 0.00 179.24 178.74 2dm6 h LYS 112 N 0.70 0.00 -5.02 3.56 2.10 -2.03 -3.40 116.57 112.48 2dm6 h LYS 112 Ca 0.48 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.50 2dm6 h LYS 112 Cb 0.79 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.96 2dm6 h LYS 112 CO -0.24 0.00 -0.43 -0.51 -2.00 0.00 0.00 179.45 176.28 2dm6 s LEU 113 N -5.46 4.05 0.23 7.07 1.43 -0.81 -5.06 118.68 120.12 2dm6 s LEU 113 Ca -0.02 0.12 -0.32 0.00 -1.03 0.00 0.00 54.13 52.88 2dm6 s LEU 113 Cb 0.10 -2.22 -0.13 0.00 0.03 0.00 0.00 46.19 43.97 2dm6 s LEU 113 CO 0.37 -0.07 1.45 -2.65 0.23 0.00 0.00 176.35 175.68 2dm6 n PRO 114 N 4.97 2.09 -0.01 1.29 -0.02 -1.26 -4.86 135.00 137.20 2dm6 n PRO 114 Ca -0.12 0.75 0.13 0.00 -2.02 0.00 0.00 63.50 62.23 2dm6 n PRO 114 Cb 0.52 -2.43 0.57 0.00 -0.02 0.00 0.00 33.50 32.13 2dm6 n PRO 114 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2dm6 h LEU 115 N 4.53 0.22 -2.36 2.45 3.38 -1.93 -1.11 115.31 120.50 2dm6 h LEU 115 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2dm6 h LEU 115 Cb 1.27 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2dm6 h LEU 115 CO 0.78 0.14 0.14 0.77 0.09 0.00 0.00 178.44 180.36 2dm6 h SER 116 N 0.25 0.00 -0.03 -0.43 4.64 -1.97 -0.40 113.55 115.61 2dm6 h SER 116 Ca 0.23 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.56 2dm6 h SER 116 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2dm6 h SER 116 CO -0.05 0.00 0.02 -0.07 -0.87 0.00 0.00 176.83 175.87 2dm6 h LEU 117 N 0.00 0.00 -1.61 5.97 3.38 -1.56 -1.81 115.31 119.68 2dm6 h LEU 117 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dm6 h LEU 117 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dm6 h LEU 117 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2dm6 h ALA 118 N 1.98 1.00 -0.02 1.53 0.00 -1.22 -0.43 119.26 122.10 2dm6 h ALA 118 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dm6 h ALA 118 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2dm6 h ALA 118 CO -0.00 0.00 -0.08 1.28 0.00 0.00 0.00 179.25 180.45 2dm6 n LEU 119 N -2.35 2.51 0.00 0.00 4.77 -0.68 -3.98 117.00 117.27 2dm6 n LEU 119 Ca -0.02 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 2dm6 n LEU 119 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2dm6 n LEU 119 CO 0.11 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2dm6 n GLY 120 N 1.16 2.42 0.30 -0.72 0.00 -0.26 -4.51 105.19 103.58 2dm6 n GLY 120 Ca 0.11 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.85 2dm6 n GLY 120 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2dm6 h THR 121 N 0.00 1.00 -1.71 2.61 2.02 -1.87 -0.45 112.91 114.51 2dm6 h THR 121 Ca 0.00 -0.30 -0.72 0.00 0.77 0.00 0.00 66.41 66.17 2dm6 h THR 121 Cb 0.00 0.06 -0.31 0.00 -1.74 0.00 0.00 68.15 66.16 2dm6 h THR 121 CO 0.00 0.16 0.65 -0.38 0.37 0.00 0.00 175.52 176.32 2dm6 n ILE 122 N -4.69 3.35 -2.07 3.11 5.41 -0.68 -4.02 119.36 119.78 2dm6 n ILE 122 Ca 0.12 -4.19 0.00 0.00 1.00 0.00 0.00 62.75 59.67 2dm6 n ILE 122 Cb 0.20 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 2dm6 n ILE 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dm6 n GLY 123 N -0.60 3.23 0.33 7.39 0.00 -0.27 -4.17 105.19 111.11 2dm6 n GLY 123 Ca 0.52 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 2dm6 n GLY 123 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2dm6 h MET 124 N 0.00 -0.30 -0.90 1.61 1.85 -1.74 -0.96 114.93 114.48 2dm6 h MET 124 Ca 0.00 0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.11 2dm6 h MET 124 Cb 0.00 0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.05 2dm6 h MET 124 CO 0.00 -0.20 0.55 -1.35 -0.40 0.00 0.00 176.91 175.51 2dm6 h PRO 125 N -0.31 1.22 -0.83 0.39 0.11 -1.79 -0.04 132.00 130.75 2dm6 h PRO 125 Ca 0.14 -0.11 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 2dm6 h PRO 125 Cb 0.54 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 31.35 2dm6 h PRO 125 CO -0.45 0.85 0.40 0.78 -0.21 0.00 0.00 178.00 179.37 2dm6 h GLY 126 N 1.25 1.29 1.40 -0.55 0.00 -0.86 -1.53 103.07 104.07 2dm6 h GLY 126 Ca 0.32 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2dm6 h GLY 126 CO -0.06 0.61 0.03 1.41 0.00 0.00 0.00 176.54 178.53 2dm6 h LEU 127 N 1.19 0.71 -0.31 3.11 3.38 -0.66 0.12 115.31 122.84 2dm6 h LEU 127 Ca 0.29 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2dm6 h LEU 127 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2dm6 h LEU 127 CO -0.04 0.76 0.17 0.74 0.09 0.00 0.00 178.44 180.16 2dm6 h THR 128 N 0.70 1.13 -0.08 0.22 2.02 -0.61 -1.21 112.91 115.09 2dm6 h THR 128 Ca 0.14 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 2dm6 h THR 128 Cb 0.40 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2dm6 h THR 128 CO 0.01 0.13 0.03 0.00 0.37 0.00 0.00 175.52 176.06 2dm6 h ALA 129 N 1.04 0.10 0.00 6.16 0.00 -1.14 0.31 119.26 125.72 2dm6 h ALA 129 Ca 0.11 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dm6 h ALA 129 Cb 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2dm6 h ALA 129 CO -0.02 -0.31 -0.32 -0.92 0.00 0.00 0.00 179.25 177.69 2dm6 h TYR 130 N -0.04 -0.94 -0.18 0.00 3.20 -0.85 -0.63 116.97 117.53 2dm6 h TYR 130 Ca 0.03 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 2dm6 h TYR 130 Cb 0.18 0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2dm6 h TYR 130 CO -0.01 -0.34 -0.51 0.74 -1.64 0.00 0.00 178.16 176.40 2dm6 h PHE 131 N -0.40 0.61 -0.49 -3.82 0.04 -1.27 0.41 116.94 112.01 2dm6 h PHE 131 Ca 0.01 -0.20 0.03 0.00 2.80 0.00 0.00 57.97 60.61 2dm6 h PHE 131 Cb 0.43 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 2dm6 h PHE 131 CO -0.45 0.90 0.27 0.78 -0.60 0.00 0.00 178.31 179.20 2dm6 h GLY 132 N 1.12 0.69 0.13 -1.45 0.00 -0.88 0.15 103.07 102.83 2dm6 h GLY 132 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2dm6 h GLY 132 CO 0.09 0.15 -0.07 -2.00 0.00 0.00 0.00 176.54 174.71 2dm6 h LEU 133 N 0.53 0.04 -0.01 3.11 5.85 -0.99 -0.17 115.31 123.67 2dm6 h LEU 133 Ca 0.21 -0.93 -0.23 0.00 0.84 0.00 0.00 57.88 57.77 2dm6 h LEU 133 Cb 0.07 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2dm6 h LEU 133 CO -0.12 0.97 -1.06 -0.07 -0.34 0.00 0.00 178.44 177.82 2dm6 h LEU 134 N -0.87 0.17 0.00 2.25 3.38 -0.96 -1.62 115.31 117.66 2dm6 h LEU 134 Ca -0.01 -0.18 -0.25 0.00 0.09 0.00 0.00 57.88 57.53 2dm6 h LEU 134 Cb 0.98 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2dm6 h LEU 134 CO 0.01 1.11 -1.96 -0.62 0.09 0.00 0.00 178.44 177.08 2dm6 n GLU 135 N -3.46 0.70 -0.06 1.13 -0.58 -0.05 -3.72 120.64 114.61 2dm6 n GLU 135 Ca -0.03 0.08 -0.01 0.00 -0.42 0.00 0.00 57.16 56.77 2dm6 n GLU 135 Cb 0.94 -1.34 -0.01 0.00 -0.57 0.00 0.00 31.44 30.47 2dm6 n GLU 135 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dm6 h VAL 136 N 0.00 0.00 -0.98 2.62 2.07 -1.12 -3.35 116.25 115.50 2dm6 h VAL 136 Ca -0.38 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.16 2dm6 h VAL 136 Cb 1.63 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 2dm6 h VAL 136 CO -0.04 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.19 2dm6 n GLY 138 N -1.38 0.12 3.76 0.00 0.00 -0.62 -4.95 105.19 102.12 2dm6 n GLY 138 Ca 0.12 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 2dm6 n GLY 138 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dm6 s VAL 139 N -3.18 2.54 0.00 1.61 -7.23 -1.18 -4.94 120.40 108.02 2dm6 s VAL 139 Ca 0.29 0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.90 2dm6 s VAL 139 Cb -0.13 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.58 2dm6 s VAL 139 CO 0.40 0.02 0.00 0.29 -0.31 0.00 0.00 175.10 175.50 2dm6 n LYS 140 N -0.46 4.46 0.00 4.82 4.01 -1.26 -4.94 118.16 124.80 2dm6 n LYS 140 Ca 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2dm6 n LYS 140 Cb 0.45 -0.48 0.00 0.00 -0.51 0.00 0.00 35.03 34.49 2dm6 n LYS 140 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2dm6 n GLY 141 N 0.99 3.65 2.01 0.72 0.00 -1.26 -4.98 105.19 106.33 2dm6 n GLY 141 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2dm6 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm6 n GLY 142 N -0.21 3.09 3.76 -0.02 0.00 -0.18 -4.93 105.19 106.69 2dm6 n GLY 142 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2dm6 n GLY 142 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dm6 s GLU 143 N -0.48 3.20 -0.26 1.61 8.01 -1.26 -4.62 118.70 124.89 2dm6 s GLU 143 Ca 0.00 1.90 -0.15 0.00 0.01 0.00 0.00 54.97 56.73 2dm6 s GLU 143 Cb 0.00 -2.11 -0.04 0.00 -4.31 0.00 0.00 34.13 27.67 2dm6 s GLU 143 CO 0.00 -1.04 0.40 0.99 0.01 0.00 0.00 175.26 175.61 2dm6 s THR 144 N -1.52 5.16 -0.12 3.63 2.01 -1.26 -0.82 115.64 122.73 2dm6 s THR 144 Ca 0.73 0.63 -0.01 0.00 0.31 0.00 0.00 61.69 63.35 2dm6 s THR 144 Cb -0.32 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2dm6 s THR 144 CO 0.36 0.15 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.66 2dm6 s VAL 145 N 2.06 3.41 -0.11 3.82 1.01 0.92 -1.07 120.40 130.44 2dm6 s VAL 145 Ca 0.16 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 2dm6 s VAL 145 Cb -0.16 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2dm6 s VAL 145 CO 0.10 0.53 0.02 -0.22 0.00 0.00 0.00 175.10 175.53 2dm6 s LEU 146 N 0.04 3.68 -0.05 3.92 0.20 -0.48 -0.38 118.68 125.61 2dm6 s LEU 146 Ca -0.03 0.16 0.00 0.00 0.69 0.00 0.00 54.13 54.95 2dm6 s LEU 146 Cb -0.14 -1.86 0.02 0.00 -0.43 0.00 0.00 46.19 43.78 2dm6 s LEU 146 CO 0.04 0.34 -0.03 0.54 -0.29 0.00 0.00 176.35 176.95 2dm6 s VAL 147 N -0.66 0.48 0.53 1.68 0.11 -0.16 -0.59 120.40 121.79 2dm6 s VAL 147 Ca 0.11 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.10 2dm6 s VAL 147 Cb -0.12 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.20 2dm6 s VAL 147 CO 0.02 0.23 0.79 -0.94 -3.33 0.00 0.00 175.10 171.88 2dm6 s SER 148 N 1.26 5.60 -1.61 3.54 1.04 -1.15 -1.35 113.70 121.04 2dm6 s SER 148 Ca -0.06 0.42 -0.07 0.00 0.48 0.00 0.00 55.95 56.72 2dm6 s SER 148 Cb -0.14 -1.48 0.07 0.00 0.10 0.00 0.00 66.02 64.57 2dm6 s SER 148 CO -0.02 -0.95 0.33 0.00 0.98 0.00 0.00 173.24 173.57 2dm6 n ALA 149 N -2.36 -1.74 0.26 5.32 0.00 -0.89 -4.48 120.51 116.61 2dm6 n ALA 149 Ca 0.04 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.32 2dm6 n ALA 149 Cb 0.58 -1.68 0.68 0.00 0.00 0.00 0.00 19.45 19.03 2dm6 n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm6 h ALA 150 N 0.84 1.24 -0.48 0.00 0.00 -1.44 -1.53 119.26 117.90 2dm6 h ALA 150 Ca -0.63 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2dm6 h ALA 150 Cb 1.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2dm6 h ALA 150 CO 0.74 0.17 0.00 0.00 0.00 0.00 0.00 179.25 180.16 2dm6 n ALA 151 N -2.27 2.42 -1.89 0.00 0.00 -1.26 -0.54 120.51 116.97 2dm6 n ALA 151 Ca -0.02 -0.98 -0.11 0.00 0.00 0.00 0.00 53.44 52.34 2dm6 n ALA 151 Cb 0.27 -0.94 0.08 0.00 0.00 0.00 0.00 19.45 18.86 2dm6 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dm6 n GLY 152 N 1.46 -0.37 0.18 0.00 0.00 -0.57 -0.35 105.19 105.52 2dm6 n GLY 152 Ca 0.20 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.24 2dm6 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm6 h ALA 153 N -1.26 -0.38 0.03 4.61 0.00 -1.85 -1.57 119.26 118.83 2dm6 h ALA 153 Ca -0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2dm6 h ALA 153 Cb 0.57 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2dm6 h ALA 153 CO 0.16 -0.71 -0.01 0.28 0.00 0.00 0.00 179.25 178.96 2dm6 h VAL 154 N -0.38 1.33 -0.75 0.00 2.07 -1.88 -3.27 116.25 113.37 2dm6 h VAL 154 Ca -0.04 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.36 2dm6 h VAL 154 Cb 0.29 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 2dm6 h VAL 154 CO 0.06 0.29 0.48 1.23 0.02 0.00 0.00 177.57 179.65 2dm6 h GLY 155 N -0.54 1.08 0.98 2.17 0.00 -1.68 0.10 103.07 105.18 2dm6 h GLY 155 Ca -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.98 2dm6 h GLY 155 CO 0.01 0.32 0.65 1.76 0.00 0.00 0.00 176.54 179.28 2dm6 h SER 156 N 0.94 1.12 -0.16 0.19 0.02 0.24 -1.99 113.55 113.91 2dm6 h SER 156 Ca 0.29 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.15 2dm6 h SER 156 Cb -0.01 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 2dm6 h SER 156 CO -0.10 0.80 -0.16 0.58 -1.14 0.00 0.00 176.83 176.81 2dm6 h VAL 157 N 1.32 1.34 -0.19 2.27 2.07 -1.44 -3.04 116.25 118.59 2dm6 h VAL 157 Ca 0.37 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 66.61 2dm6 h VAL 157 Cb -0.12 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 2dm6 h VAL 157 CO -0.09 0.39 -0.44 0.58 0.02 0.00 0.00 177.57 178.04 2dm6 h VAL 158 N 0.04 0.12 -0.73 2.57 2.07 -0.75 -0.14 116.25 119.42 2dm6 h VAL 158 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 2dm6 h VAL 158 Cb 0.70 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2dm6 h VAL 158 CO 0.04 0.00 0.43 1.23 0.02 0.00 0.00 177.57 179.29 2dm6 h GLY 159 N -0.47 1.07 1.29 2.17 0.00 -1.45 -0.26 103.07 105.41 2dm6 h GLY 159 Ca 0.08 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 46.93 2dm6 h GLY 159 CO -0.44 0.22 -0.53 1.46 0.00 0.00 0.00 176.54 177.25 2dm6 h GLN 160 N 0.80 0.75 -0.65 4.80 4.20 -1.35 -1.40 115.11 122.26 2dm6 h GLN 160 Ca 0.32 -0.47 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 2dm6 h GLN 160 Cb 0.14 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2dm6 h GLN 160 CO -0.16 1.09 0.13 0.82 -0.67 0.00 0.00 178.83 180.03 2dm6 h ILE 161 N 0.58 1.26 -0.80 2.54 2.04 -0.69 -1.97 117.51 120.48 2dm6 h ILE 161 Ca 0.02 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 2dm6 h ILE 161 Cb 1.11 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 2dm6 h ILE 161 CO 0.11 0.37 0.47 0.00 0.00 0.00 0.00 178.15 179.11 2dm6 h ALA 162 N 1.05 1.32 -0.41 1.87 0.00 -0.90 -0.75 119.26 121.44 2dm6 h ALA 162 Ca 0.20 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2dm6 h ALA 162 Cb 0.41 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2dm6 h ALA 162 CO 0.01 0.57 -0.30 0.87 0.00 0.00 0.00 179.25 180.40 2dm6 h LYS 163 N 1.11 0.93 0.00 0.00 1.79 -1.04 0.98 116.57 120.33 2dm6 h LYS 163 Ca 0.29 -0.45 -0.02 0.00 -2.18 0.00 0.00 60.65 58.28 2dm6 h LYS 163 Cb -0.03 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2dm6 h LYS 163 CO -0.05 1.11 -0.11 1.37 -1.08 0.00 0.00 179.45 180.69 2dm6 h LEU 164 N 0.76 0.00 -0.74 2.94 8.10 -1.06 -2.76 115.31 122.55 2dm6 h LEU 164 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.07 2dm6 h LEU 164 Cb 0.89 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.11 2dm6 h LEU 164 CO 0.08 0.11 -0.03 0.29 -4.11 0.00 0.00 178.44 174.78 2dm6 n LYS 165 N -3.20 1.45 -0.62 0.17 4.76 -0.31 -4.94 118.16 115.47 2dm6 n LYS 165 Ca 0.01 -0.74 0.00 0.00 -2.87 0.00 0.00 58.31 54.71 2dm6 n LYS 165 Cb 0.42 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 2dm6 n LYS 165 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dm6 n GLY 166 N 1.17 0.80 3.96 0.72 0.00 -1.04 -4.00 105.19 106.80 2dm6 n GLY 166 Ca 0.19 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 2dm6 n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm6 s LYS 168 N -4.17 4.31 -0.04 0.00 2.20 0.00 -4.36 119.74 117.69 2dm6 s LYS 168 Ca 0.39 0.39 0.07 0.00 -0.36 0.00 0.00 55.97 56.46 2dm6 s LYS 168 Cb -0.09 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 2dm6 s LYS 168 CO 0.32 0.19 -0.25 0.14 -0.36 0.00 0.00 175.35 175.39 2dm6 s VAL 169 N 0.54 2.00 -0.09 4.02 -7.23 -1.26 -0.06 120.40 118.32 2dm6 s VAL 169 Ca 0.24 -1.06 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 2dm6 s VAL 169 Cb -0.15 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.12 2dm6 s VAL 169 CO 0.09 0.56 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.56 2dm6 s VAL 170 N -0.36 1.73 0.00 1.32 1.01 0.49 -1.58 120.40 123.02 2dm6 s VAL 170 Ca 0.03 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.25 2dm6 s VAL 170 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2dm6 s VAL 170 CO 0.01 0.49 -0.21 -0.83 0.00 0.00 0.00 175.10 174.56 2dm6 s GLY 171 N 0.47 1.44 -0.12 4.51 0.00 -0.22 -0.99 107.32 112.41 2dm6 s GLY 171 Ca -0.17 -1.14 0.01 0.00 0.00 0.00 0.00 44.72 43.42 2dm6 s GLY 171 CO 0.07 -0.98 -0.16 0.00 0.00 0.00 0.00 173.10 172.03 2dm6 s ALA 172 N -0.76 2.50 0.22 3.20 0.00 -0.45 -1.77 121.76 124.70 2dm6 s ALA 172 Ca 0.12 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 2dm6 s ALA 172 Cb -0.10 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2dm6 s ALA 172 CO 0.02 0.27 0.27 0.00 0.00 0.00 0.00 175.76 176.31 2dm6 s ALA 173 N 0.32 0.67 -0.79 0.00 0.00 -1.03 -1.56 121.76 119.37 2dm6 s ALA 173 Ca -0.13 -1.41 0.17 0.00 0.00 0.00 0.00 51.96 50.59 2dm6 s ALA 173 Cb -0.16 1.27 0.77 0.00 0.00 0.00 0.00 23.12 25.00 2dm6 s ALA 173 CO 0.06 -0.69 1.68 0.41 0.00 0.00 0.00 175.76 177.22 2dm6 n GLY 174 N -0.32 2.82 3.41 0.00 0.00 -1.26 -2.30 105.19 107.53 2dm6 n GLY 174 Ca 0.01 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 2dm6 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm6 s SER 175 N -0.84 -0.48 0.26 1.61 1.04 -1.26 -4.85 113.70 109.18 2dm6 s SER 175 Ca 0.53 0.37 -0.04 0.00 0.48 0.00 0.00 55.95 57.29 2dm6 s SER 175 Cb 0.37 0.48 0.32 0.00 0.10 0.00 0.00 66.02 67.28 2dm6 s SER 175 CO 0.21 -0.62 1.88 0.44 0.98 0.00 0.00 173.24 176.13 2dm6 h ASP 176 N 3.08 1.00 -0.63 7.02 3.32 -1.99 -1.65 116.42 126.57 2dm6 h ASP 176 Ca -0.29 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 56.73 2dm6 h ASP 176 Cb 1.18 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.41 2dm6 h ASP 176 CO 0.40 0.82 0.33 -0.08 -1.72 0.00 0.00 179.24 178.98 2dm6 h GLU 177 N 1.12 0.58 -0.70 3.56 4.81 -1.99 -1.41 114.58 120.55 2dm6 h GLU 177 Ca 0.28 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 2dm6 h GLU 177 Cb 0.05 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2dm6 h GLU 177 CO -0.04 0.38 0.15 0.87 -0.73 0.00 0.00 179.01 179.64 2dm6 h LYS 178 N 0.60 1.14 -0.44 1.92 1.57 -1.84 -1.78 116.57 117.75 2dm6 h LYS 178 Ca 0.29 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dm6 h LYS 178 Cb 0.23 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2dm6 h LYS 178 CO -0.21 1.02 0.27 0.82 -0.57 0.00 0.00 179.45 180.78 2dm6 h ILE 179 N 1.07 1.13 -0.54 1.86 1.08 -0.84 -0.32 117.51 120.95 2dm6 h ILE 179 Ca 0.22 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 64.34 2dm6 h ILE 179 Cb 0.41 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 2dm6 h ILE 179 CO 0.01 0.13 0.03 0.00 -0.69 0.00 0.00 178.15 177.63 2dm6 h ALA 180 N 1.13 1.04 -0.50 1.87 0.00 -1.13 -2.31 119.26 119.37 2dm6 h ALA 180 Ca 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2dm6 h ALA 180 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2dm6 h ALA 180 CO -0.03 0.61 0.19 -0.92 0.00 0.00 0.00 179.25 179.09 2dm6 h TYR 181 N 0.84 0.77 -0.51 0.00 3.20 -0.97 -2.36 116.97 117.95 2dm6 h TYR 181 Ca 0.16 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 2dm6 h TYR 181 Cb 0.45 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 2dm6 h TYR 181 CO 0.03 0.65 0.30 -0.07 -1.64 0.00 0.00 178.16 177.43 2dm6 h LEU 182 N 0.67 0.61 -0.99 2.82 3.38 -0.79 -1.98 115.31 119.04 2dm6 h LEU 182 Ca 0.17 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2dm6 h LEU 182 Cb 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2dm6 h LEU 182 CO -0.01 0.50 0.26 0.11 0.09 0.00 0.00 178.44 179.39 2dm6 h LYS 183 N 0.68 0.99 -0.10 1.13 1.57 -1.40 -2.11 116.57 117.33 2dm6 h LYS 183 Ca 0.18 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2dm6 h LYS 183 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2dm6 h LYS 183 CO -0.03 0.81 -0.22 0.37 -0.57 0.00 0.00 179.45 179.81 2dm6 h GLN 184 N 0.97 0.17 -0.08 3.15 5.75 -0.88 -2.91 115.11 121.29 2dm6 h GLN 184 Ca 0.23 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2dm6 h GLN 184 Cb 0.20 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.73 2dm6 h GLN 184 CO -0.02 0.39 0.00 0.44 -2.65 0.00 0.00 178.83 176.99 2dm6 n ILE 185 N -4.21 0.08 0.00 2.39 -5.35 -0.80 -4.94 119.36 106.53 2dm6 n ILE 185 Ca -0.01 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 2dm6 n ILE 185 Cb 0.32 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 2dm6 n ILE 185 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dm6 n GLY 186 N 1.26 0.99 3.71 3.28 0.00 -1.09 -4.91 105.19 108.43 2dm6 n GLY 186 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2dm6 n GLY 186 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dm6 n PHE 187 N -0.10 2.61 -0.03 1.61 3.72 -0.82 -4.90 117.46 119.56 2dm6 n PHE 187 Ca 0.00 0.22 -0.11 0.00 -0.05 0.00 0.00 57.45 57.51 2dm6 n PHE 187 Cb 0.00 -2.59 0.03 0.00 -0.94 0.00 0.00 39.48 35.98 2dm6 n PHE 187 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2dm6 h ASP 188 N 5.50 0.73 -5.03 4.37 3.32 -1.62 -3.41 116.42 120.28 2dm6 h ASP 188 Ca -0.45 -0.38 -0.13 0.00 0.02 0.00 0.00 57.03 56.09 2dm6 h ASP 188 Cb 1.23 -0.21 -0.19 0.00 0.22 0.00 0.00 39.33 40.38 2dm6 h ASP 188 CO 0.85 1.11 -0.48 0.00 -1.72 0.00 0.00 179.24 179.01 2dm6 s ALA 189 N -4.10 -0.27 -0.18 3.45 0.00 -1.00 -5.04 121.76 114.62 2dm6 s ALA 189 Ca -0.08 -0.26 -0.19 0.00 0.00 0.00 0.00 51.96 51.42 2dm6 s ALA 189 Cb 0.11 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.46 2dm6 s ALA 189 CO 0.85 -0.27 0.53 0.00 0.00 0.00 0.00 175.76 176.87 2dm6 s ALA 190 N -1.92 -1.31 0.03 0.00 0.00 -1.26 -1.05 121.76 116.25 2dm6 s ALA 190 Ca -0.10 1.40 -0.02 0.00 0.00 0.00 0.00 51.96 53.24 2dm6 s ALA 190 Cb -0.05 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2dm6 s ALA 190 CO -0.01 -0.26 0.01 -0.59 0.00 0.00 0.00 175.76 174.91 2dm6 s PHE 191 N 0.06 0.28 -0.61 0.00 -0.12 -0.73 -4.97 117.98 111.90 2dm6 s PHE 191 Ca -0.02 -0.60 -0.25 0.00 -0.05 0.00 0.00 56.93 56.01 2dm6 s PHE 191 Cb -0.04 -0.21 0.04 0.00 -0.63 0.00 0.00 43.02 42.19 2dm6 s PHE 191 CO 0.02 -0.27 1.05 1.21 -0.05 0.00 0.00 175.22 177.18 2dm6 s ASN 192 N -1.88 6.31 0.63 1.98 3.84 -1.26 -2.48 114.94 122.08 2dm6 s ASN 192 Ca -0.09 -0.38 0.41 0.00 0.21 0.00 0.00 52.86 53.00 2dm6 s ASN 192 Cb -0.04 -2.48 2.12 0.00 -0.55 0.00 0.00 41.25 40.30 2dm6 s ASN 192 CO -0.03 -1.41 2.27 0.10 -2.79 0.00 0.00 177.10 175.23 2dm6 h TYR 193 N 9.52 0.00 0.04 0.43 -0.00 -1.83 -2.54 116.97 122.59 2dm6 h TYR 193 Ca -0.27 0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 58.24 2dm6 h TYR 193 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.78 2dm6 h TYR 193 CO 0.98 0.01 -1.04 0.87 -0.00 0.00 0.00 178.16 178.97 2dm6 h LYS 194 N 0.00 0.13 0.00 0.10 1.57 -1.89 -3.39 116.57 113.09 2dm6 h LYS 194 Ca -0.00 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2dm6 h LYS 194 Cb 0.13 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2dm6 h LYS 194 CO 0.00 1.05 -1.47 0.25 -0.57 0.00 0.00 179.45 178.72 2dm6 n THR 195 N -3.49 0.00 -1.74 -0.16 -2.24 -1.01 -4.97 114.28 100.66 2dm6 n THR 195 Ca -0.04 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.06 2dm6 n THR 195 Cb 0.93 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 2dm6 n THR 195 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2dm6 n VAL 196 N -1.86 2.22 -0.19 2.28 0.24 -0.99 -4.92 118.33 115.11 2dm6 n VAL 196 Ca -0.02 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.34 61.71 2dm6 n VAL 196 Cb 0.30 -1.80 0.02 0.00 -1.47 0.00 0.00 33.84 30.89 2dm6 n VAL 196 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2dm6 h ASN 197 N 2.62 0.71 -3.39 -1.34 -1.24 -1.93 -3.42 115.58 107.60 2dm6 h ASN 197 Ca -0.49 -0.14 -0.45 0.00 0.71 0.00 0.00 56.30 55.93 2dm6 h ASN 197 Cb 1.26 -0.18 -0.35 0.00 0.73 0.00 0.00 38.32 39.78 2dm6 h ASN 197 CO 0.62 0.65 -0.79 -0.55 -1.29 0.00 0.00 177.43 176.08 2dm6 s SER 198 N -5.95 1.39 0.23 1.15 0.15 -1.26 -5.04 113.70 104.37 2dm6 s SER 198 Ca -0.13 -0.18 -0.05 0.00 0.70 0.00 0.00 55.95 56.28 2dm6 s SER 198 Cb 0.12 -0.59 0.22 0.00 -1.71 0.00 0.00 66.02 64.07 2dm6 s SER 198 CO 0.77 -0.06 1.73 0.25 1.20 0.00 0.00 173.24 177.14 2dm6 h LEU 199 N 7.42 0.93 -0.62 3.45 5.85 -1.91 -2.74 115.31 127.68 2dm6 h LEU 199 Ca -0.33 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.11 2dm6 h LEU 199 Cb 1.15 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 2dm6 h LEU 199 CO 0.43 0.94 0.11 -0.08 -0.34 0.00 0.00 178.44 179.50 2dm6 h GLU 200 N 0.91 1.02 -0.31 1.25 4.81 -1.96 -2.59 114.58 117.71 2dm6 h GLU 200 Ca 0.18 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2dm6 h GLU 200 Cb 0.43 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2dm6 h GLU 200 CO 0.01 0.95 0.17 0.93 -0.73 0.00 0.00 179.01 180.35 2dm6 h GLU 201 N 0.93 0.42 -0.81 1.92 5.08 -1.96 -2.31 114.58 117.84 2dm6 h GLU 201 Ca 0.19 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2dm6 h GLU 201 Cb 0.42 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2dm6 h GLU 201 CO 0.01 0.35 0.54 0.00 -1.00 0.00 0.00 179.01 178.91 2dm6 h ALA 202 N 1.05 1.50 -0.41 3.43 0.00 -1.39 0.90 119.26 124.33 2dm6 h ALA 202 Ca 0.11 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2dm6 h ALA 202 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2dm6 h ALA 202 CO -0.02 0.42 -0.29 -0.07 0.00 0.00 0.00 179.25 179.29 2dm6 h LEU 203 N 1.01 0.97 -0.28 0.00 3.38 -1.27 -1.78 115.31 117.34 2dm6 h LEU 203 Ca 0.32 -0.43 -0.16 0.00 0.09 0.00 0.00 57.88 57.70 2dm6 h LEU 203 Cb 0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 2dm6 h LEU 203 CO -0.09 1.20 -0.45 0.50 0.09 0.00 0.00 178.44 179.69 2dm6 h LYS 204 N 0.75 0.81 -0.41 1.13 3.11 -1.03 -2.32 116.57 118.62 2dm6 h LYS 204 Ca 0.08 -0.49 0.06 0.00 -2.81 0.00 0.00 60.65 57.49 2dm6 h LYS 204 Cb 0.88 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 32.10 2dm6 h LYS 204 CO 0.08 1.12 0.09 -0.22 -2.81 0.00 0.00 179.45 177.71 2dm6 h LYS 205 N 0.57 0.22 0.00 1.90 3.64 -0.83 -2.71 116.57 119.36 2dm6 h LYS 205 Ca 0.02 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 2dm6 h LYS 205 Cb 1.05 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2dm6 h LYS 205 CO 0.10 0.14 -0.50 0.00 -2.27 0.00 0.00 179.45 176.93 2dm6 h ALA 206 N 1.30 1.13 -1.72 5.00 0.00 -1.27 -3.41 119.26 120.30 2dm6 h ALA 206 Ca 0.19 -0.46 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 2dm6 h ALA 206 Cb 0.23 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 17.65 2dm6 h ALA 206 CO -0.25 0.63 -0.53 0.45 0.00 0.00 0.00 179.25 179.55 2dm6 s SER 207 N -6.83 0.40 0.30 0.00 0.15 -0.88 -4.91 113.70 101.94 2dm6 s SER 207 Ca -0.02 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.30 2dm6 s SER 207 Cb 0.13 1.09 0.48 0.00 -1.71 0.00 0.00 66.02 66.02 2dm6 s SER 207 CO 0.74 -0.35 1.80 -0.65 1.20 0.00 0.00 173.24 175.98 2dm6 h PRO 208 N 8.16 0.57 0.00 5.44 0.11 -1.72 -2.85 132.00 141.71 2dm6 h PRO 208 Ca -0.09 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2dm6 h PRO 208 Cb 1.12 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2dm6 h PRO 208 CO 0.27 0.65 0.00 -3.47 -0.21 0.00 0.00 178.00 175.24 2dm6 n ASP 209 N -4.21 0.00 0.00 -2.05 2.03 -1.26 -5.02 116.55 106.03 2dm6 n ASP 209 Ca 0.01 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2dm6 n ASP 209 Cb 0.31 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 2dm6 n ASP 209 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dm6 n GLY 210 N 0.87 -1.85 3.12 0.27 0.00 -1.08 -4.81 105.19 101.73 2dm6 n GLY 210 Ca 0.08 -1.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 2dm6 n GLY 210 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dm6 s TYR 211 N 0.00 1.84 0.01 1.61 2.02 -1.12 -4.82 117.35 116.89 2dm6 s TYR 211 Ca 0.00 -0.63 -0.19 0.00 -0.37 0.00 0.00 57.07 55.88 2dm6 s TYR 211 Cb 0.00 -1.26 -0.25 0.00 -0.40 0.00 0.00 41.96 40.05 2dm6 s TYR 211 CO 0.00 -0.26 1.09 -0.44 -1.57 0.00 0.00 175.55 174.37 2dm6 h ASP 212 N 6.56 0.59 -3.93 2.29 5.19 -1.47 -0.12 116.42 125.53 2dm6 h ASP 212 Ca -0.29 -0.78 -0.28 0.00 -0.62 0.00 0.00 57.03 55.06 2dm6 h ASP 212 Cb 1.19 -0.18 -0.28 0.00 0.18 0.00 0.00 39.33 40.24 2dm6 h ASP 212 CO 0.47 1.30 -0.74 0.00 -3.12 0.00 0.00 179.24 177.15 2dm6 s TYR 214 N -0.19 3.06 -0.71 0.00 5.04 0.01 -1.39 117.35 123.18 2dm6 s TYR 214 Ca -0.00 -1.34 -0.23 0.00 -2.44 0.00 0.00 57.07 53.06 2dm6 s TYR 214 Cb -0.02 -2.11 0.06 0.00 0.35 0.00 0.00 41.96 40.25 2dm6 s TYR 214 CO -0.00 -0.67 1.07 0.12 -1.34 0.00 0.00 175.55 174.72 2dm6 s PHE 215 N 1.39 2.60 -0.40 4.97 5.36 0.24 -0.55 117.98 131.60 2dm6 s PHE 215 Ca 0.02 -0.50 -0.22 0.00 -0.96 0.00 0.00 56.93 55.27 2dm6 s PHE 215 Cb -0.16 -4.39 0.01 0.00 -0.34 0.00 0.00 43.02 38.15 2dm6 s PHE 215 CO -0.03 -1.75 0.71 0.34 -1.46 0.00 0.00 175.22 173.02 2dm6 s ASP 216 N 3.74 6.42 0.00 6.13 2.15 0.38 -2.91 116.67 132.58 2dm6 s ASP 216 Ca 0.27 0.02 0.18 0.00 0.43 0.00 0.00 52.55 53.44 2dm6 s ASP 216 Cb -0.13 -2.35 -0.17 0.00 -0.30 0.00 0.00 42.92 39.96 2dm6 s ASP 216 CO 0.09 -0.75 0.78 0.59 -0.17 0.00 0.00 175.17 175.72 2dm6 n ASN 217 N 6.34 0.98 -0.00 -0.34 3.02 -1.26 -1.33 115.26 122.68 2dm6 n ASN 217 Ca 0.00 -0.99 -0.00 0.00 -0.03 0.00 0.00 54.58 53.56 2dm6 n ASN 217 Cb 0.48 0.92 -0.00 0.00 -0.61 0.00 0.00 39.78 40.58 2dm6 n ASN 217 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2dm6 n VAL 218 N -1.23 0.01 -4.32 2.41 0.24 -1.21 -2.46 118.33 111.77 2dm6 n VAL 218 Ca 0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2dm6 n VAL 218 Cb 0.29 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 2dm6 n VAL 218 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dm6 n GLY 219 N 3.23 2.12 7.00 7.63 0.00 -1.25 -1.39 105.19 122.53 2dm6 n GLY 219 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2dm6 n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm6 n GLY 220 N 0.00 1.30 0.23 -0.02 0.00 -1.26 -2.57 105.19 102.87 2dm6 n GLY 220 Ca 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.53 2dm6 n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dm6 h GLU 221 N 0.00 0.00 -0.34 1.61 3.07 -1.92 -2.71 114.58 114.29 2dm6 h GLU 221 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2dm6 h GLU 221 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2dm6 h GLU 221 CO 0.00 0.16 0.19 0.35 -1.40 0.00 0.00 179.01 178.31 2dm6 h PHE 222 N 0.00 0.47 -0.66 4.33 3.57 -1.91 -2.17 116.94 120.56 2dm6 h PHE 222 Ca -0.00 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2dm6 h PHE 222 Cb 0.30 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2dm6 h PHE 222 CO 0.00 0.36 0.43 1.25 -2.23 0.00 0.00 178.31 178.13 2dm6 h LEU 223 N 0.43 0.74 -0.59 0.59 5.85 -1.21 -2.35 115.31 118.77 2dm6 h LEU 223 Ca 0.12 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.91 2dm6 h LEU 223 Cb 0.05 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 2dm6 h LEU 223 CO -0.02 0.53 0.25 0.78 -0.34 0.00 0.00 178.44 179.64 2dm6 h ASN 224 N 0.88 0.29 -0.65 1.25 2.35 -1.36 -2.35 115.58 116.00 2dm6 h ASN 224 Ca 0.25 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 56.01 2dm6 h ASN 224 Cb -0.08 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2dm6 h ASN 224 CO -0.06 0.18 0.20 0.74 -1.65 0.00 0.00 177.43 176.84 2dm6 h THR 225 N 0.46 1.25 -0.28 2.81 2.02 -1.07 -3.12 112.91 114.98 2dm6 h THR 225 Ca 0.29 -0.86 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 2dm6 h THR 225 Cb 0.31 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2dm6 h THR 225 CO -0.26 0.33 -0.10 0.58 0.37 0.00 0.00 175.52 176.44 2dm6 h VAL 226 N 0.99 1.22 -0.69 3.16 2.07 -0.90 -3.21 116.25 118.89 2dm6 h VAL 226 Ca 0.22 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.83 2dm6 h VAL 226 Cb 0.29 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2dm6 h VAL 226 CO -0.01 0.31 0.45 -0.07 0.02 0.00 0.00 177.57 178.28 2dm6 h LEU 227 N 0.43 0.71 -2.44 2.57 3.38 -1.44 0.79 115.31 119.32 2dm6 h LEU 227 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2dm6 h LEU 227 Cb 0.45 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2dm6 h LEU 227 CO 0.02 0.49 -0.02 0.77 0.09 0.00 0.00 178.44 179.79 2dm6 h SER 228 N 0.83 0.00 0.20 -0.43 4.64 -1.72 -2.56 113.55 114.50 2dm6 h SER 228 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2dm6 h SER 228 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2dm6 h SER 228 CO -0.08 0.02 -1.09 1.67 -0.87 0.00 0.00 176.83 176.48 2dm6 n GLN 229 N -3.27 0.19 -2.07 4.77 -0.06 0.23 -4.97 117.38 112.20 2dm6 n GLN 229 Ca -0.02 -0.03 -0.37 0.00 -2.00 0.00 0.00 57.00 54.58 2dm6 n GLN 229 Cb 0.15 -1.53 0.01 0.00 -4.06 0.00 0.00 30.24 24.81 2dm6 n GLN 229 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 2dm6 s MET 230 N -3.14 3.39 0.67 3.69 -1.94 -0.96 -2.80 119.30 118.21 2dm6 s MET 230 Ca 0.05 1.91 -0.12 0.00 -1.71 0.00 0.00 55.69 55.81 2dm6 s MET 230 Cb 0.15 -2.24 -0.00 0.00 2.01 0.00 0.00 34.83 34.75 2dm6 s MET 230 CO 0.83 -0.89 1.06 0.15 -0.01 0.00 0.00 175.02 176.16 2dm6 s LYS 231 N -2.92 2.98 0.26 2.03 1.02 -0.06 -4.71 119.74 118.33 2dm6 s LYS 231 Ca 0.69 1.06 -0.31 0.00 0.02 0.00 0.00 55.97 57.43 2dm6 s LYS 231 Cb -0.32 -1.99 -0.12 0.00 -0.52 0.00 0.00 37.83 34.88 2dm6 s LYS 231 CO 0.38 -1.07 1.64 -0.51 -0.92 0.00 0.00 175.35 174.87 2dm6 s ASP 232 N -3.44 6.38 -1.57 2.83 -0.00 -1.26 -1.33 116.67 118.28 2dm6 s ASP 232 Ca 0.60 2.91 0.00 0.00 -0.00 0.00 0.00 52.55 56.06 2dm6 s ASP 232 Cb -0.15 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.15 2dm6 s ASP 232 CO 0.49 -0.93 0.00 0.49 -0.00 0.00 0.00 175.17 175.22 2dm6 n PHE 233 N 2.89 -0.21 -1.23 4.23 3.72 0.18 -4.99 117.46 122.05 2dm6 n PHE 233 Ca 0.11 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.20 2dm6 n PHE 233 Cb 0.37 -2.87 0.10 0.00 -0.94 0.00 0.00 39.48 36.14 2dm6 n PHE 233 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2dm6 s GLY 234 N -2.68 1.66 -0.06 1.37 0.00 -0.45 -4.73 107.32 102.43 2dm6 s GLY 234 Ca 0.00 0.19 0.04 0.00 0.00 0.00 0.00 44.72 44.94 2dm6 s GLY 234 CO 0.00 0.57 -0.16 1.25 0.00 0.00 0.00 173.10 174.76 2dm6 s LYS 235 N -4.91 2.64 -0.21 2.90 2.47 -0.15 -1.24 119.74 121.25 2dm6 s LYS 235 Ca 0.62 -0.73 -0.01 0.00 -1.56 0.00 0.00 55.97 54.29 2dm6 s LYS 235 Cb -0.17 -2.38 0.02 0.00 -1.46 0.00 0.00 37.83 33.83 2dm6 s LYS 235 CO 0.56 0.52 -0.13 0.42 0.16 0.00 0.00 175.35 176.89 2dm6 s ILE 236 N -0.47 2.58 -0.45 5.43 1.09 0.10 -0.81 121.20 128.68 2dm6 s ILE 236 Ca 0.06 -0.87 -0.19 0.00 -1.10 0.00 0.00 60.65 58.54 2dm6 s ILE 236 Cb -0.12 -2.18 0.03 0.00 -1.06 0.00 0.00 42.46 39.13 2dm6 s ILE 236 CO 0.02 0.41 0.57 0.00 -0.10 0.00 0.00 174.94 175.84 2dm6 s ALA 237 N 1.34 3.38 -0.82 9.38 0.00 0.29 -1.16 121.76 134.17 2dm6 s ALA 237 Ca 0.04 -1.41 -0.22 0.00 0.00 0.00 0.00 51.96 50.36 2dm6 s ALA 237 Cb -0.14 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 19.83 2dm6 s ALA 237 CO -0.08 -1.76 1.15 0.42 0.00 0.00 0.00 175.76 175.48 2dm6 s ILE 238 N 2.55 4.30 -0.20 0.00 -1.09 0.69 -0.47 121.20 126.98 2dm6 s ILE 238 Ca 0.18 -0.72 -0.13 0.00 -2.23 0.00 0.00 60.65 57.75 2dm6 s ILE 238 Cb -0.16 -4.81 -0.20 0.00 -1.58 0.00 0.00 42.46 35.70 2dm6 s ILE 238 CO 0.16 -1.62 0.13 0.00 -1.23 0.00 0.00 174.94 172.38 2dm6 s GLY 240 N -5.38 0.95 -0.34 0.00 0.00 -0.79 -4.89 107.32 96.88 2dm6 s GLY 240 Ca -0.29 -1.15 0.16 0.00 0.00 0.00 0.00 44.72 43.44 2dm6 s GLY 240 CO 0.64 -0.69 1.12 0.00 0.00 0.00 0.00 173.10 174.16 2dm6 n ALA 241 N -0.53 2.70 0.11 3.20 0.00 -1.20 -3.34 120.51 121.44 2dm6 n ALA 241 Ca -0.03 -2.46 0.19 0.00 0.00 0.00 0.00 53.44 51.15 2dm6 n ALA 241 Cb 0.61 -0.94 0.76 0.00 0.00 0.00 0.00 19.45 19.88 2dm6 n ALA 241 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2dm6 h ILE 242 N 3.12 0.50 0.00 0.00 2.10 -1.30 -0.81 117.51 121.11 2dm6 h ILE 242 Ca -0.17 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.77 2dm6 h ILE 242 Cb 1.23 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 2dm6 h ILE 242 CO 0.26 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.79 2dm6 n SER 243 N -3.91 0.00 -0.01 2.19 3.41 -0.49 -2.75 113.62 112.07 2dm6 n SER 243 Ca 0.06 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2dm6 n SER 243 Cb 0.52 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2dm6 n SER 243 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2dm6 n VAL 244 N -1.44 0.09 0.26 -3.33 0.24 -0.31 -4.77 118.33 109.07 2dm6 n VAL 244 Ca 0.04 -0.55 0.10 0.00 -2.04 0.00 0.00 64.34 61.90 2dm6 n VAL 244 Cb 0.15 0.96 0.70 0.00 -1.47 0.00 0.00 33.84 34.17 2dm6 n VAL 244 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 2dm6 h TYR 245 N 0.03 0.00 -0.00 6.34 0.05 -1.54 -0.92 116.97 120.92 2dm6 h TYR 245 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2dm6 h TYR 245 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2dm6 h TYR 245 CO 0.00 0.06 -0.15 0.09 -1.05 0.00 0.00 178.16 177.11 2dm6 n ASN 246 N -4.16 0.55 -2.74 3.88 3.02 -1.26 -4.26 115.26 110.27 2dm6 n ASN 246 Ca -0.03 -0.57 -0.04 0.00 -0.03 0.00 0.00 54.58 53.91 2dm6 n ASN 246 Cb 0.14 -0.04 0.05 0.00 -0.61 0.00 0.00 39.78 39.33 2dm6 n ASN 246 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2dm6 n ARG 247 N -0.95 1.43 0.28 3.52 1.85 -0.40 -3.95 116.66 118.44 2dm6 n ARG 247 Ca 0.13 -3.08 0.13 0.00 -1.00 0.00 0.00 57.85 54.03 2dm6 n ARG 247 Cb 0.29 -1.17 0.81 0.00 -1.05 0.00 0.00 32.46 31.34 2dm6 n ARG 247 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 2dm6 h MET 248 N 2.57 0.00 -0.02 2.89 2.86 -1.62 -1.56 114.93 120.05 2dm6 h MET 248 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2dm6 h MET 248 Cb 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 2dm6 h MET 248 CO 0.25 0.05 -0.26 -0.25 1.06 0.00 0.00 176.91 177.76 2dm6 n ASP 249 N -3.90 2.42 -3.16 1.22 8.00 -1.26 -4.46 116.55 115.40 2dm6 n ASP 249 Ca -0.03 -1.71 -0.23 0.00 0.71 0.00 0.00 54.79 53.54 2dm6 n ASP 249 Cb 0.14 0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 2dm6 n ASP 249 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dm6 n GLN 250 N 0.56 1.61 -2.39 -1.24 6.02 -0.60 -5.12 117.38 116.23 2dm6 n GLN 250 Ca 0.11 -3.84 -0.34 0.00 -0.01 0.00 0.00 57.00 52.92 2dm6 n GLN 250 Cb 0.51 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 2dm6 n GLN 250 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dm6 s LEU 251 N -2.37 3.76 0.86 1.08 1.43 -1.16 -4.86 118.68 117.42 2dm6 s LEU 251 Ca 0.41 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 55.36 2dm6 s LEU 251 Cb 0.27 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 42.03 2dm6 s LEU 251 CO -0.09 -0.96 1.11 -2.16 0.23 0.00 0.00 176.35 174.48 2dm6 s PRO 252 N -3.39 1.59 0.52 1.29 0.04 -1.26 -5.00 135.00 128.79 2dm6 s PRO 252 Ca 0.68 0.53 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 2dm6 s PRO 252 Cb -0.18 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 2dm6 s PRO 252 CO 0.24 -1.94 0.46 -2.30 0.04 0.00 0.00 177.00 173.51 2dm6 n PRO 253 N -3.63 0.49 -1.94 0.56 -0.02 -1.26 -5.00 135.00 124.18 2dm6 n PRO 253 Ca 0.07 0.19 -0.16 0.00 -2.02 0.00 0.00 63.50 61.57 2dm6 n PRO 253 Cb 0.57 -1.58 0.09 0.00 -0.02 0.00 0.00 33.50 32.56 2dm6 n PRO 253 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dm6 n GLY 254 N 1.85 0.57 3.67 -1.23 0.00 -1.26 -4.78 105.19 104.02 2dm6 n GLY 254 Ca 0.11 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 2dm6 n GLY 254 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2dm6 s PRO 255 N -4.33 1.03 -0.26 1.61 0.02 -1.26 -4.97 135.00 126.83 2dm6 s PRO 255 Ca 0.47 1.58 -0.25 0.00 0.02 0.00 0.00 61.00 62.81 2dm6 s PRO 255 Cb -0.03 -1.73 -0.00 0.00 0.02 0.00 0.00 34.50 32.77 2dm6 s PRO 255 CO 0.31 -2.63 0.86 0.45 -0.33 0.00 0.00 177.00 175.66 2dm6 s SER 256 N -2.62 6.82 0.32 2.53 0.15 -1.26 -4.94 113.70 114.69 2dm6 s SER 256 Ca 0.67 0.97 0.00 0.00 0.70 0.00 0.00 55.95 58.30 2dm6 s SER 256 Cb -0.23 -2.45 0.54 0.00 -1.71 0.00 0.00 66.02 62.17 2dm6 s SER 256 CO 0.57 -0.59 1.96 -0.65 1.20 0.00 0.00 173.24 175.74 2dm6 h PRO 257 N 7.81 0.98 -0.17 5.44 0.11 -1.99 -2.20 132.00 141.98 2dm6 h PRO 257 Ca -0.23 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.87 2dm6 h PRO 257 Cb 1.09 -0.22 -0.07 0.00 0.11 0.00 0.00 31.00 31.91 2dm6 h PRO 257 CO 0.90 0.65 -0.32 0.93 -0.21 0.00 0.00 178.00 179.94 2dm6 h GLU 258 N 1.01 -0.36 -0.40 1.05 5.08 -1.98 0.44 114.58 119.42 2dm6 h GLU 258 Ca 0.32 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2dm6 h GLU 258 Cb 0.02 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2dm6 h GLU 258 CO -0.09 -0.24 0.26 0.77 -1.00 0.00 0.00 179.01 178.71 2dm6 h SER 259 N -0.38 0.46 -0.41 1.42 0.02 -1.87 0.31 113.55 113.10 2dm6 h SER 259 Ca 0.10 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 2dm6 h SER 259 Cb 0.54 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 2dm6 h SER 259 CO -0.38 0.33 0.04 0.40 -1.14 0.00 0.00 176.83 176.08 2dm6 h ILE 260 N 0.54 1.25 0.23 3.27 2.04 -1.15 -1.93 117.51 121.75 2dm6 h ILE 260 Ca 0.14 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 2dm6 h ILE 260 Cb -0.06 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2dm6 h ILE 260 CO -0.03 0.32 -0.11 0.40 0.00 0.00 0.00 178.15 178.73 2dm6 h ILE 261 N 0.54 0.09 -1.00 -0.67 2.04 -0.85 -0.91 117.51 116.75 2dm6 h ILE 261 Ca 0.12 -0.82 0.20 0.00 1.00 0.00 0.00 64.86 65.37 2dm6 h ILE 261 Cb 0.42 0.17 -0.11 0.00 -0.74 0.00 0.00 36.82 36.56 2dm6 h ILE 261 CO 0.01 0.03 0.61 1.88 0.00 0.00 0.00 178.15 180.68 2dm6 h TYR 262 N -1.07 1.00 -0.01 1.37 0.05 -0.48 -0.33 116.97 117.49 2dm6 h TYR 262 Ca -0.03 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2dm6 h TYR 262 Cb 0.28 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2dm6 h TYR 262 CO 0.01 0.19 -0.58 1.63 -1.05 0.00 0.00 178.16 178.36 2dm6 n LYS 263 N -4.75 0.71 -3.58 4.88 5.02 -0.73 -5.00 118.16 114.71 2dm6 n LYS 263 Ca 0.24 -0.55 -0.19 0.00 -2.02 0.00 0.00 58.31 55.78 2dm6 n LYS 263 Cb 0.63 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.21 2dm6 n LYS 263 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dm6 n GLN 264 N -0.66 -5.77 -2.53 1.97 6.02 -0.14 -0.64 117.38 115.63 2dm6 n GLN 264 Ca 0.08 0.73 -0.34 0.00 -0.01 0.00 0.00 57.00 57.46 2dm6 n GLN 264 Cb 0.40 -5.51 -0.03 0.00 1.02 0.00 0.00 30.24 26.11 2dm6 n GLN 264 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2dm6 s LEU 265 N -6.54 3.89 -0.23 1.08 1.43 -0.46 -3.71 118.68 114.15 2dm6 s LEU 265 Ca 0.02 1.96 -0.03 0.00 -1.03 0.00 0.00 54.13 55.05 2dm6 s LEU 265 Cb -0.01 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.72 2dm6 s LEU 265 CO 0.77 -0.76 -0.06 -0.13 0.23 0.00 0.00 176.35 176.41 2dm6 s ARG 266 N -3.11 3.22 -0.16 1.70 0.52 -0.37 -4.96 118.95 115.79 2dm6 s ARG 266 Ca 0.66 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 55.13 2dm6 s ARG 266 Cb -0.18 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 2dm6 s ARG 266 CO 0.22 -0.25 -0.09 0.42 0.02 0.00 0.00 175.30 175.62 2dm6 s ILE 267 N 1.43 3.31 -0.04 1.52 1.01 -1.26 0.01 121.20 127.18 2dm6 s ILE 267 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2dm6 s ILE 267 Cb -0.15 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 39.91 2dm6 s ILE 267 CO -0.04 0.49 -0.00 -0.70 0.00 0.00 0.00 174.94 174.69 2dm6 s GLU 268 N 0.66 0.44 0.38 2.79 2.12 -0.31 -4.97 118.70 119.81 2dm6 s GLU 268 Ca -0.05 0.06 -0.17 0.00 0.36 0.00 0.00 54.97 55.18 2dm6 s GLU 268 Cb -0.15 -0.65 -0.09 0.00 0.26 0.00 0.00 34.13 33.50 2dm6 s GLU 268 CO 0.02 -0.17 0.83 0.20 -0.54 0.00 0.00 175.26 175.61 2dm6 s GLY 269 N 1.25 2.31 0.03 -1.50 0.00 -1.26 -0.22 107.32 107.92 2dm6 s GLY 269 Ca -0.06 0.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.68 2dm6 s GLY 269 CO -0.02 0.39 0.30 -0.11 0.00 0.00 0.00 173.10 173.66 2dm6 s PHE 270 N -2.12 -0.12 -0.11 1.90 -0.12 -1.09 -4.90 117.98 111.42 2dm6 s PHE 270 Ca 0.57 0.04 0.03 0.00 -0.05 0.00 0.00 56.93 57.53 2dm6 s PHE 270 Cb -0.10 0.09 0.00 0.00 -0.63 0.00 0.00 43.02 42.39 2dm6 s PHE 270 CO 0.18 -0.47 -0.23 0.42 -0.05 0.00 0.00 175.22 175.07 2dm6 s ILE 271 N -2.20 2.01 0.49 -4.49 -1.09 -1.26 -4.77 121.20 109.89 2dm6 s ILE 271 Ca -0.07 -0.98 0.26 0.00 -2.23 0.00 0.00 60.65 57.63 2dm6 s ILE 271 Cb -0.02 -1.75 0.44 0.00 -1.58 0.00 0.00 42.46 39.55 2dm6 s ILE 271 CO -0.01 0.55 1.88 1.62 -1.23 0.00 0.00 174.94 177.74 2dm6 h VAL 272 N 5.76 0.60 0.00 2.92 3.04 -1.94 -1.35 116.25 125.27 2dm6 h VAL 272 Ca -0.23 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2dm6 h VAL 272 Cb 1.22 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 2dm6 h VAL 272 CO 0.49 0.03 0.00 -1.22 -1.01 0.00 0.00 177.57 175.86 2dm6 n TYR 273 N -4.37 0.00 -0.11 3.17 4.01 -1.26 -2.94 117.16 115.66 2dm6 n TYR 273 Ca 0.19 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.97 2dm6 n TYR 273 Cb 0.86 -0.14 0.37 0.00 -0.31 0.00 0.00 39.34 40.12 2dm6 n TYR 273 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2dm6 h ARG 274 N 0.00 0.69 -4.89 -0.72 2.43 -1.68 -3.39 114.38 106.82 2dm6 h ARG 274 Ca 0.00 -0.04 -0.67 0.00 -0.81 0.00 0.00 59.98 58.46 2dm6 h ARG 274 Cb 0.11 -0.15 -0.18 0.00 -0.42 0.00 0.00 29.97 29.33 2dm6 h ARG 274 CO 0.00 0.45 -0.33 -1.58 -1.51 0.00 0.00 179.97 177.01 2dm6 s TRP 275 N -5.62 3.21 0.28 2.20 0.51 -1.15 -5.06 118.94 113.32 2dm6 s TRP 275 Ca -0.09 -0.09 0.02 0.00 -2.12 0.00 0.00 56.10 53.82 2dm6 s TRP 275 Cb 0.18 -2.64 -0.05 0.00 -0.81 0.00 0.00 33.47 30.16 2dm6 s TRP 275 CO 0.76 -0.43 0.12 -0.65 -0.51 0.00 0.00 176.95 176.23 2dm6 s GLN 276 N 1.95 1.50 5.90 4.98 -0.21 -1.26 -4.57 119.66 127.95 2dm6 s GLN 276 Ca 0.10 -1.83 0.00 0.00 0.02 0.00 0.00 55.36 53.65 2dm6 s GLN 276 Cb -0.17 -0.23 0.00 0.00 1.00 0.00 0.00 33.01 33.61 2dm6 s GLN 276 CO 0.11 -0.35 0.00 0.41 -2.12 0.00 0.00 175.29 173.34 2dm6 n GLY 277 N -0.53 1.49 0.35 3.09 0.00 -1.26 -3.70 105.19 104.62 2dm6 n GLY 277 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 2dm6 n GLY 277 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dm6 h ASP 278 N 4.12 1.11 -0.69 1.61 5.19 -1.99 -1.21 116.42 124.57 2dm6 h ASP 278 Ca 0.00 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.21 2dm6 h ASP 278 Cb 0.00 -0.29 -0.03 0.00 0.18 0.00 0.00 39.33 39.19 2dm6 h ASP 278 CO 0.00 0.97 0.26 0.58 -3.12 0.00 0.00 179.24 177.93 2dm6 h VAL 279 N 1.19 1.24 -0.24 -1.35 2.07 -1.96 -1.05 116.25 116.16 2dm6 h VAL 279 Ca 0.28 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 2dm6 h VAL 279 Cb 0.18 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2dm6 h VAL 279 CO -0.03 0.32 -0.19 -0.09 0.02 0.00 0.00 177.57 177.60 2dm6 h ARG 280 N 1.03 0.54 -0.65 1.57 2.43 -1.59 -2.50 114.38 115.22 2dm6 h ARG 280 Ca 0.24 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2dm6 h ARG 280 Cb 0.22 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2dm6 h ARG 280 CO -0.02 0.85 0.16 1.49 -1.51 0.00 0.00 179.97 180.93 2dm6 h GLU 281 N 0.25 1.02 -0.49 0.20 4.81 -1.05 -1.98 114.58 117.34 2dm6 h GLU 281 Ca 0.04 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 58.94 2dm6 h GLU 281 Cb 0.72 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2dm6 h GLU 281 CO 0.05 0.90 -0.12 -0.22 -0.73 0.00 0.00 179.01 178.89 2dm6 h LYS 282 N 0.97 0.91 -0.68 1.92 3.11 -1.22 -1.61 116.57 119.97 2dm6 h LYS 282 Ca 0.21 -0.33 0.01 0.00 -2.81 0.00 0.00 60.65 57.73 2dm6 h LYS 282 Cb 0.34 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.48 2dm6 h LYS 282 CO 0.00 0.98 0.45 0.00 -2.81 0.00 0.00 179.45 178.07 2dm6 h ALA 283 N 1.04 0.86 -0.22 5.00 0.00 -1.16 0.22 119.26 125.00 2dm6 h ALA 283 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2dm6 h ALA 283 Cb 0.65 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2dm6 h ALA 283 CO 0.05 0.29 0.11 -0.07 0.00 0.00 0.00 179.25 179.62 2dm6 h LEU 284 N 0.92 0.29 -1.11 0.00 3.38 -1.09 -0.62 115.31 117.08 2dm6 h LEU 284 Ca 0.25 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2dm6 h LEU 284 Cb -0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2dm6 h LEU 284 CO -0.06 0.34 0.60 0.03 0.09 0.00 0.00 178.44 179.44 2dm6 h ARG 285 N 0.23 1.20 -0.46 1.13 2.47 -1.13 -0.84 114.38 116.97 2dm6 h ARG 285 Ca 0.08 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2dm6 h ARG 285 Cb 0.12 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.15 2dm6 h ARG 285 CO -0.01 0.79 0.17 -0.44 0.56 0.00 0.00 179.97 181.04 2dm6 h ASP 286 N 1.23 0.65 -0.17 7.04 3.32 -0.74 -1.09 116.42 126.66 2dm6 h ASP 286 Ca 0.33 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2dm6 h ASP 286 Cb -0.14 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 2dm6 h ASP 286 CO -0.07 0.65 0.08 -0.07 -1.72 0.00 0.00 179.24 178.11 2dm6 h LEU 287 N 0.60 0.23 -0.43 1.55 3.38 -0.66 -0.84 115.31 119.14 2dm6 h LEU 287 Ca 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2dm6 h LEU 287 Cb 0.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2dm6 h LEU 287 CO -0.01 0.31 0.27 -0.03 0.09 0.00 0.00 178.44 179.07 2dm6 h MET 288 N 0.14 0.58 -0.36 1.13 4.05 -1.13 -1.31 114.93 118.02 2dm6 h MET 288 Ca 0.06 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.48 2dm6 h MET 288 Cb 0.15 -0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 30.78 2dm6 h MET 288 CO -0.01 0.41 0.10 -0.22 0.23 0.00 0.00 176.91 177.42 2dm6 h LYS 289 N 0.57 0.23 -0.11 0.39 3.64 -1.04 0.18 116.57 120.43 2dm6 h LYS 289 Ca 0.16 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 2dm6 h LYS 289 Cb -0.03 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2dm6 h LYS 289 CO -0.03 0.15 -0.25 -1.49 -2.27 0.00 0.00 179.45 175.56 2dm6 h TRP 290 N 0.23 0.21 0.02 1.91 6.55 -0.95 0.21 115.95 124.13 2dm6 h TRP 290 Ca 0.17 -0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.97 2dm6 h TRP 290 Cb 0.17 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 2dm6 h TRP 290 CO -0.16 0.43 -0.01 0.28 -1.05 0.00 0.00 178.44 177.93 2dm6 h VAL 291 N 0.18 1.30 0.00 1.49 2.07 -0.76 0.12 116.25 120.64 2dm6 h VAL 291 Ca 0.03 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 2dm6 h VAL 291 Cb 0.54 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2dm6 h VAL 291 CO 0.04 0.25 -0.13 -0.07 0.02 0.00 0.00 177.57 177.68 2dm6 h LEU 292 N -0.45 0.00 -0.01 2.57 3.38 -0.29 -1.27 115.31 119.24 2dm6 h LEU 292 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dm6 h LEU 292 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2dm6 h LEU 292 CO 0.00 0.13 0.00 -0.62 0.09 0.00 0.00 178.44 178.04 2dm6 n GLU 293 N -4.33 0.16 -0.86 1.13 1.02 0.71 -4.94 120.64 113.54 2dm6 n GLU 293 Ca -0.03 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2dm6 n GLU 293 Cb 0.20 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 2dm6 n GLU 293 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dm6 n GLY 294 N 1.36 0.60 0.14 0.62 0.00 -0.48 -4.92 105.19 102.52 2dm6 n GLY 294 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 2dm6 n GLY 294 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dm6 h LYS 295 N 1.59 0.00 -4.72 1.61 1.57 -1.07 -3.39 116.57 112.16 2dm6 h LYS 295 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2dm6 h LYS 295 Cb 0.00 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 31.92 2dm6 h LYS 295 CO 0.00 0.51 -0.74 0.42 -0.57 0.00 0.00 179.45 179.07 2dm6 s ILE 296 N -3.07 2.24 0.46 1.86 1.01 -0.35 -4.82 121.20 118.54 2dm6 s ILE 296 Ca 0.03 -2.18 -0.16 0.00 0.00 0.00 0.00 60.65 58.33 2dm6 s ILE 296 Cb 0.08 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.88 2dm6 s ILE 296 CO 0.74 -0.47 0.92 -1.10 0.00 0.00 0.00 174.94 175.02 2dm6 s GLN 297 N 0.95 3.98 0.06 2.79 -0.21 -1.26 -4.28 119.66 121.69 2dm6 s GLN 297 Ca 0.07 0.87 0.04 0.00 0.02 0.00 0.00 55.36 56.35 2dm6 s GLN 297 Cb -0.19 -2.22 -0.03 0.00 1.00 0.00 0.00 33.01 31.57 2dm6 s GLN 297 CO -0.07 -0.14 -0.11 1.52 -2.12 0.00 0.00 175.29 174.36 2dm6 s TYR 298 N -2.44 0.95 0.01 0.91 -0.85 -1.26 -4.94 117.35 109.74 2dm6 s TYR 298 Ca 0.58 -0.50 0.03 0.00 -0.52 0.00 0.00 57.07 56.65 2dm6 s TYR 298 Cb -0.10 -0.55 -0.01 0.00 0.38 0.00 0.00 41.96 41.68 2dm6 s TYR 298 CO 0.26 -0.01 -0.08 -1.58 -1.52 0.00 0.00 175.55 172.62 2dm6 s HIS 299 N -1.46 0.72 -0.05 -3.49 2.46 -1.26 -5.14 115.29 107.07 2dm6 s HIS 299 Ca -0.05 -0.25 0.05 0.00 0.47 0.00 0.00 55.06 55.29 2dm6 s HIS 299 Cb -0.09 -0.45 -0.02 0.00 -0.13 0.00 0.00 32.58 31.89 2dm6 s HIS 299 CO 0.01 -0.02 -0.20 -1.21 -2.47 0.00 0.00 174.74 170.85 2dm6 s GLU 300 N -0.67 2.49 -0.82 2.88 2.02 -1.26 -2.83 118.70 120.50 2dm6 s GLU 300 Ca -0.01 -0.81 -0.16 0.00 0.02 0.00 0.00 54.97 54.02 2dm6 s GLU 300 Cb -0.05 -2.26 0.18 0.00 0.10 0.00 0.00 34.13 32.11 2dm6 s GLU 300 CO 0.00 0.51 0.84 -1.58 0.02 0.00 0.00 175.26 175.05 2dm6 s HIS 301 N -0.46 3.51 -0.17 1.61 5.65 0.11 -4.91 115.29 120.64 2dm6 s HIS 301 Ca 0.05 -1.72 -0.18 0.00 0.25 0.00 0.00 55.06 53.46 2dm6 s HIS 301 Cb -0.12 -3.95 -0.04 0.00 -1.18 0.00 0.00 32.58 27.30 2dm6 s HIS 301 CO 0.01 -1.14 0.50 0.08 -0.65 0.00 0.00 174.74 173.54 2dm6 s VAL 302 N 1.08 5.14 -0.22 0.89 1.01 -1.26 -1.86 120.40 125.17 2dm6 s VAL 302 Ca 0.20 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 63.04 2dm6 s VAL 302 Cb -0.11 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2dm6 s VAL 302 CO -0.07 0.23 0.12 -0.89 0.00 0.00 0.00 175.10 174.49 2dm6 s THR 303 N 1.28 5.10 -0.25 3.92 2.01 -0.05 -4.99 115.64 122.67 2dm6 s THR 303 Ca 0.25 0.09 -0.21 0.00 0.31 0.00 0.00 61.69 62.13 2dm6 s THR 303 Cb -0.15 -3.35 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 2dm6 s THR 303 CO 0.10 0.38 0.64 -0.54 -0.69 0.00 0.00 174.62 174.51 2dm6 s LYS 304 N 0.88 4.13 0.00 4.92 -0.14 -1.26 -0.73 119.74 127.53 2dm6 s LYS 304 Ca 0.06 0.58 0.00 0.00 -1.36 0.00 0.00 55.97 55.25 2dm6 s LYS 304 Cb -0.13 -3.64 0.00 0.00 -1.68 0.00 0.00 37.83 32.38 2dm6 s LYS 304 CO 0.03 -0.40 0.00 0.41 -0.76 0.00 0.00 175.35 174.63 2dm6 n GLY 305 N 4.09 2.47 0.37 -3.33 0.00 0.51 -4.76 105.19 104.54 2dm6 n GLY 305 Ca -0.00 -1.26 0.04 0.00 0.00 0.00 0.00 46.02 44.80 2dm6 n GLY 305 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2dm6 h PHE 306 N 0.00 1.13 0.00 1.61 3.57 -1.81 -1.67 116.94 119.77 2dm6 h PHE 306 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2dm6 h PHE 306 Cb 0.00 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.37 2dm6 h PHE 306 CO 0.00 0.56 0.00 -0.85 -2.23 0.00 0.00 178.31 175.79 2dm6 n GLU 307 N -4.52 0.23 -0.23 1.11 -0.00 -1.26 -1.50 120.64 114.47 2dm6 n GLU 307 Ca 0.16 0.10 0.10 0.00 -0.00 0.00 0.00 57.16 57.52 2dm6 n GLU 307 Cb 0.23 -1.50 0.22 0.00 -0.00 0.00 0.00 31.44 30.39 2dm6 n GLU 307 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2dm6 n ASN 308 N -1.15 3.35 -0.06 -1.84 3.02 -0.63 -4.70 115.26 113.26 2dm6 n ASN 308 Ca 0.06 -1.95 -0.12 0.00 -0.03 0.00 0.00 54.58 52.55 2dm6 n ASN 308 Cb 0.06 -0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 38.88 2dm6 n ASN 308 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 2dm6 h MET 309 N 3.62 0.30 -1.01 3.52 4.05 -1.38 -1.15 114.93 122.89 2dm6 h MET 309 Ca 0.00 -0.09 0.07 0.00 -0.28 0.00 0.00 59.70 59.39 2dm6 h MET 309 Cb 0.88 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.58 2dm6 h MET 309 CO 0.00 0.51 0.65 -1.35 0.23 0.00 0.00 176.91 176.95 2dm6 h PRO 310 N 0.05 1.15 -0.60 0.39 0.11 -1.84 -1.46 132.00 129.81 2dm6 h PRO 310 Ca 0.05 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 2dm6 h PRO 310 Cb 0.37 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 2dm6 h PRO 310 CO 0.01 0.76 0.12 0.00 -0.21 0.00 0.00 178.00 178.67 2dm6 h ALA 311 N 1.46 1.08 -0.87 -0.75 0.00 -1.84 -0.12 119.26 118.21 2dm6 h ALA 311 Ca 0.43 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2dm6 h ALA 311 Cb 0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2dm6 h ALA 311 CO -0.17 0.60 0.57 0.00 0.00 0.00 0.00 179.25 180.25 2dm6 h ALA 312 N 1.22 1.12 0.01 0.00 0.00 -0.57 -0.61 119.26 120.43 2dm6 h ALA 312 Ca 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dm6 h ALA 312 Cb 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2dm6 h ALA 312 CO 0.01 0.46 -0.00 0.35 0.00 0.00 0.00 179.25 180.06 2dm6 h PHE 313 N 1.14 -0.01 -0.46 0.00 3.57 -0.80 -1.91 116.94 118.47 2dm6 h PHE 313 Ca 0.33 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.88 2dm6 h PHE 313 Cb -0.07 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 2dm6 h PHE 313 CO -0.01 0.38 0.20 0.82 -2.23 0.00 0.00 178.31 177.46 2dm6 h ILE 314 N -0.40 0.91 -0.12 1.41 2.04 -0.93 -1.87 117.51 118.54 2dm6 h ILE 314 Ca -0.00 -0.13 -0.16 0.00 1.00 0.00 0.00 64.86 65.57 2dm6 h ILE 314 Cb 0.40 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2dm6 h ILE 314 CO 0.00 0.07 -0.60 1.05 0.00 0.00 0.00 178.15 178.68 2dm6 h GLU 315 N 0.39 0.41 -0.55 2.37 4.11 -1.15 -2.08 114.58 118.08 2dm6 h GLU 315 Ca 0.21 -0.28 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2dm6 h GLU 315 Cb 0.16 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2dm6 h GLU 315 CO -0.18 0.89 0.36 1.98 0.07 0.00 0.00 179.01 182.13 2dm6 h MET 316 N 0.31 0.73 -0.26 1.06 4.05 -1.12 0.13 114.93 119.82 2dm6 h MET 316 Ca -0.00 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.34 2dm6 h MET 316 Cb 1.13 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.75 2dm6 h MET 316 CO 0.10 0.48 0.01 -0.07 0.23 0.00 0.00 176.91 177.66 2dm6 h LEU 317 N 0.75 0.36 -0.09 3.39 3.38 -1.15 -1.97 115.31 119.99 2dm6 h LEU 317 Ca 0.20 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2dm6 h LEU 317 Cb -0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2dm6 h LEU 317 CO -0.04 0.42 -0.10 -3.20 0.09 0.00 0.00 178.44 175.61 2dm6 n ASN 318 N -4.33 0.23 0.00 -0.43 4.05 -0.79 -4.94 115.26 109.05 2dm6 n ASN 318 Ca 0.01 -0.17 0.00 0.00 0.45 0.00 0.00 54.58 54.87 2dm6 n ASN 318 Cb 0.21 -0.20 0.00 0.00 1.23 0.00 0.00 39.78 41.02 2dm6 n ASN 318 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2dm6 n GLY 319 N 1.36 0.96 0.21 8.20 0.00 0.22 -4.99 105.19 111.15 2dm6 n GLY 319 Ca 0.12 -0.43 0.07 0.00 0.00 0.00 0.00 46.02 45.78 2dm6 n GLY 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm6 h ALA 320 N 0.00 1.14 -2.63 4.61 0.00 -1.13 -3.46 119.26 117.80 2dm6 h ALA 320 Ca 0.00 -0.28 -0.55 0.00 0.00 0.00 0.00 54.91 54.08 2dm6 h ALA 320 Cb 0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2dm6 h ALA 320 CO 0.00 0.39 0.15 0.54 0.00 0.00 0.00 179.25 180.33 2dm6 s ASN 321 N -6.47 7.09 -0.34 0.00 4.22 -1.26 -5.02 114.94 113.17 2dm6 s ASN 321 Ca -0.01 1.32 -0.14 0.00 -2.14 0.00 0.00 52.86 51.89 2dm6 s ASN 321 Cb 0.12 -2.45 -0.02 0.00 1.28 0.00 0.00 41.25 40.18 2dm6 s ASN 321 CO 0.67 -0.13 0.28 -0.22 -2.04 0.00 0.00 177.10 175.66 2dm6 s LEU 322 N 0.74 4.50 0.00 3.54 1.98 -1.26 -4.72 118.68 123.46 2dm6 s LEU 322 Ca 0.41 -0.36 0.00 0.00 -2.89 0.00 0.00 54.13 51.29 2dm6 s LEU 322 Cb -0.19 -2.21 0.00 0.00 0.66 0.00 0.00 46.19 44.46 2dm6 s LEU 322 CO 0.21 -0.27 0.00 0.61 -1.89 0.00 0.00 176.35 175.01 2dm6 n GLY 323 N 5.06 -1.91 3.70 7.98 0.00 0.52 -3.58 105.19 116.96 2dm6 n GLY 323 Ca -0.11 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 2dm6 n GLY 323 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dm6 s LYS 324 N -0.07 4.19 -0.07 1.61 2.47 -1.13 -4.25 119.74 122.49 2dm6 s LYS 324 Ca 0.00 2.40 -0.30 0.00 -1.56 0.00 0.00 55.97 56.51 2dm6 s LYS 324 Cb 0.00 -3.40 -0.02 0.00 -1.46 0.00 0.00 37.83 32.95 2dm6 s LYS 324 CO 0.00 -0.70 1.07 0.00 0.16 0.00 0.00 175.35 175.87 2dm6 s ALA 325 N 2.01 3.39 -0.10 3.13 0.00 -1.26 0.07 121.76 129.01 2dm6 s ALA 325 Ca 0.74 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 53.08 2dm6 s ALA 325 Cb -0.43 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.27 2dm6 s ALA 325 CO 0.32 -0.59 0.28 0.54 0.00 0.00 0.00 175.76 176.32 2dm6 s VAL 326 N 1.88 0.01 -0.23 0.00 0.11 -0.78 -3.72 120.40 117.67 2dm6 s VAL 326 Ca 0.51 -0.06 -0.09 0.00 -2.93 0.00 0.00 61.98 59.42 2dm6 s VAL 326 Cb -0.21 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.18 2dm6 s VAL 326 CO 0.21 -0.03 0.10 -0.69 -3.33 0.00 0.00 175.10 171.36 2dm6 s VAL 327 N -0.01 4.82 -0.25 2.04 1.01 0.98 -0.87 120.40 128.12 2dm6 s VAL 327 Ca -0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 2dm6 s VAL 327 Cb -0.02 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2dm6 s VAL 327 CO 0.01 0.37 0.43 -0.89 0.00 0.00 0.00 175.10 175.01 2dm6 s THR 328 N 1.11 5.15 -2.00 3.92 2.01 0.09 0.16 115.64 126.08 2dm6 s THR 328 Ca 0.05 0.70 0.21 0.00 0.31 0.00 0.00 61.69 62.96 2dm6 s THR 328 Cb -0.14 -3.75 0.59 0.00 0.01 0.00 0.00 72.50 69.21 2dm6 s THR 328 CO 0.04 0.16 1.62 0.00 -0.69 0.00 0.00 174.62 175.74