#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bdk s HIS 20 N 0.00 3.15 -0.10 0.66 0.00 -1.26 -4.81 115.29 112.93 3bdk s HIS 20 Ca 0.00 -0.97 -0.20 0.00 -3.00 0.00 0.00 55.06 50.89 3bdk s HIS 20 Cb 0.00 -2.25 -0.04 0.00 -4.00 0.00 0.00 32.58 26.28 3bdk s HIS 20 CO 0.00 -0.57 0.55 1.41 -1.00 0.00 0.00 174.74 175.12 3bdk s MET 21 N 1.50 4.37 -0.41 -0.38 -2.45 -1.26 -3.43 119.30 117.25 3bdk s MET 21 Ca 0.03 0.58 -0.05 0.00 -1.25 0.00 0.00 55.69 55.00 3bdk s MET 21 Cb -0.17 -3.44 0.09 0.00 1.25 0.00 0.00 34.83 32.57 3bdk s MET 21 CO 0.02 0.13 0.21 0.15 1.05 0.00 0.00 175.02 176.59 3bdk s LYS 22 N 0.66 2.28 0.19 4.11 1.02 -0.96 -4.93 119.74 122.12 3bdk s LYS 22 Ca 0.30 -1.64 -0.32 0.00 0.02 0.00 0.00 55.97 54.32 3bdk s LYS 22 Cb -0.16 -3.63 -0.15 0.00 -0.52 0.00 0.00 37.83 33.37 3bdk s LYS 22 CO 0.13 -1.00 1.25 -0.12 -0.92 0.00 0.00 175.35 174.69 3bdk n MET 23 N 4.73 1.47 -3.71 1.68 1.56 -1.26 -3.30 117.12 118.28 3bdk n MET 23 Ca -0.07 0.52 -0.16 0.00 -0.27 0.00 0.00 57.70 57.73 3bdk n MET 23 Cb 0.42 -2.08 -0.06 0.00 2.15 0.00 0.00 33.22 33.65 3bdk n MET 23 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 3bdk n SER 24 N 2.08 -0.24 -3.65 6.12 7.64 -0.45 -0.79 113.62 124.34 3bdk n SER 24 Ca 0.14 -2.66 -0.01 0.00 1.01 0.00 0.00 58.87 57.35 3bdk n SER 24 Cb 0.27 1.18 -0.06 0.00 -1.01 0.00 0.00 64.21 64.59 3bdk n SER 24 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3bdk s PHE 25 N -2.97 -0.42 0.13 1.43 2.19 -0.98 -4.40 117.98 112.96 3bdk s PHE 25 Ca 0.28 0.84 -0.30 0.00 0.33 0.00 0.00 56.93 58.08 3bdk s PHE 25 Cb 0.01 0.26 -0.06 0.00 -1.31 0.00 0.00 43.02 41.92 3bdk s PHE 25 CO 0.20 -0.21 1.06 0.50 1.83 0.00 0.00 175.22 178.59 3bdk s ARG 26 N 1.21 4.61 -0.09 10.12 3.52 -1.26 -1.09 118.95 135.98 3bdk s ARG 26 Ca -0.08 1.61 0.02 0.00 -0.13 0.00 0.00 55.73 57.15 3bdk s ARG 26 Cb -0.03 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 30.04 3bdk s ARG 26 CO -0.13 0.08 -0.13 -0.46 -0.81 0.00 0.00 175.30 173.84 3bdk s TRP 27 N 0.07 1.73 -0.39 5.12 -0.00 0.16 -4.86 118.94 120.77 3bdk s TRP 27 Ca 0.50 -0.75 0.03 0.00 -0.00 0.00 0.00 56.10 55.87 3bdk s TRP 27 Cb -0.27 -1.27 0.23 0.00 -0.00 0.00 0.00 33.47 32.17 3bdk s TRP 27 CO 0.32 -0.40 1.14 0.66 -0.00 0.00 0.00 176.95 178.67 3bdk n TYR 28 N 4.11 0.86 0.00 5.86 4.02 -1.26 -4.33 117.16 126.42 3bdk n TYR 28 Ca -0.20 -0.65 0.00 0.00 -0.01 0.00 0.00 57.90 57.04 3bdk n TYR 28 Cb 0.51 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 3bdk n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bdk n GLY 29 N 0.06 -1.10 0.51 2.72 0.00 -1.26 -4.08 105.19 102.04 3bdk n GLY 29 Ca 0.15 -1.62 0.40 0.00 0.00 0.00 0.00 46.02 44.95 3bdk n GLY 29 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3bdk n LYS 30 N -1.11 -0.02 0.01 1.61 4.81 -1.26 0.64 118.16 122.85 3bdk n LYS 30 Ca 0.00 1.02 0.14 0.00 -0.87 0.00 0.00 58.31 58.60 3bdk n LYS 30 Cb 0.00 -2.16 0.59 0.00 0.02 0.00 0.00 35.03 33.48 3bdk n LYS 30 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3bdk n LYS 31 N -4.08 0.04 -2.01 1.64 2.85 -1.26 -4.86 118.16 110.48 3bdk n LYS 31 Ca 0.37 0.03 -0.42 0.00 -1.05 0.00 0.00 58.31 57.24 3bdk n LYS 31 Cb 1.55 -1.54 -0.03 0.00 -0.65 0.00 0.00 35.03 34.36 3bdk n LYS 31 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3bdk s ASP 32 N -3.22 6.67 0.01 -5.58 -1.08 0.21 -4.87 116.67 108.82 3bdk s ASP 32 Ca 0.13 2.31 0.10 0.00 -0.52 0.00 0.00 52.55 54.58 3bdk s ASP 32 Cb 0.18 -2.55 0.45 0.00 -1.46 0.00 0.00 42.92 39.54 3bdk s ASP 32 CO 0.54 -0.88 1.33 -0.81 0.52 0.00 0.00 175.17 175.87 3bdk n PRO 33 N 6.32 0.01 -3.40 4.34 -0.04 -1.26 -4.28 135.00 136.69 3bdk n PRO 33 Ca 0.16 0.34 -0.38 0.00 -0.04 0.00 0.00 63.50 63.59 3bdk n PRO 33 Cb 0.42 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 3bdk n PRO 33 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bdk s VAL 34 N -3.02 5.14 0.29 0.52 1.01 -1.26 -5.09 120.40 117.99 3bdk s VAL 34 Ca 0.05 0.87 0.08 0.00 0.00 0.00 0.00 61.98 62.97 3bdk s VAL 34 Cb 0.06 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 3bdk s VAL 34 CO 0.18 0.42 0.17 0.42 0.00 0.00 0.00 175.10 176.30 3bdk s THR 35 N -0.00 3.74 0.18 3.92 -4.23 -1.26 -4.88 115.64 113.10 3bdk s THR 35 Ca 0.24 -1.55 0.18 0.00 -1.18 0.00 0.00 61.69 59.37 3bdk s THR 35 Cb -0.15 -3.15 0.11 0.00 1.34 0.00 0.00 72.50 70.65 3bdk s THR 35 CO 0.11 -0.28 1.71 -0.07 -0.54 0.00 0.00 174.62 175.55 3bdk h LEU 36 N 1.52 0.00 0.10 4.79 4.07 -1.97 0.17 115.31 123.98 3bdk h LEU 36 Ca -0.46 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.52 3bdk h LEU 36 Cb 1.25 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.95 3bdk h LEU 36 CO 0.61 0.41 -0.32 1.05 -1.08 0.00 0.00 178.44 179.10 3bdk h GLU 37 N 0.00 -0.51 -0.89 1.13 -0.00 -1.96 0.67 114.58 113.02 3bdk h GLU 37 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.39 3bdk h GLU 37 Cb 0.93 0.12 -0.04 0.00 -0.00 0.00 0.00 28.75 29.75 3bdk h GLU 37 CO 0.05 -0.34 0.57 0.93 -0.00 0.00 0.00 179.01 180.22 3bdk h GLU 38 N -0.53 1.19 -0.21 1.06 5.08 -1.86 -1.58 114.58 117.73 3bdk h GLU 38 Ca 0.04 -0.09 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 3bdk h GLU 38 Cb 0.57 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.57 3bdk h GLU 38 CO -0.20 0.81 -0.64 0.82 -1.00 0.00 0.00 179.01 178.80 3bdk h ILE 39 N 1.22 1.28 0.00 3.13 2.04 -0.56 -2.78 117.51 121.84 3bdk h ILE 39 Ca 0.32 -1.84 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 3bdk h ILE 39 Cb -0.10 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3bdk h ILE 39 CO -0.07 0.59 -0.13 0.50 0.00 0.00 0.00 178.15 179.04 3bdk h LYS 40 N 0.56 0.00 0.00 2.37 1.63 0.49 -3.07 116.57 118.55 3bdk h LYS 40 Ca -0.02 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 3bdk h LYS 40 Cb 1.26 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 3bdk h LYS 40 CO 0.14 0.13 -0.09 0.00 -3.45 0.00 0.00 179.45 176.18 3bdk h ALA 41 N 1.87 1.14 -2.53 5.00 0.00 -0.99 -3.44 119.26 120.31 3bdk h ALA 41 Ca -0.00 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 3bdk h ALA 41 Cb 0.24 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.04 3bdk h ALA 41 CO 0.02 0.11 0.76 0.42 0.00 0.00 0.00 179.25 180.55 3bdk s ILE 42 N -4.00 3.28 0.52 0.00 1.01 -1.16 -4.96 121.20 115.89 3bdk s ILE 42 Ca -0.02 0.90 -0.21 0.00 0.00 0.00 0.00 60.65 61.32 3bdk s ILE 42 Cb 0.12 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 3bdk s ILE 42 CO 0.55 0.06 1.02 -2.65 0.00 0.00 0.00 174.94 173.92 3bdk n PRO 43 N 4.14 1.20 -0.34 2.79 -0.02 -1.26 -2.59 135.00 138.92 3bdk n PRO 43 Ca 0.12 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3bdk n PRO 43 Cb 0.42 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3bdk n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bdk n GLY 44 N 1.19 0.26 3.69 -1.23 0.00 -1.26 -4.85 105.19 102.97 3bdk n GLY 44 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3bdk n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3bdk s MET 45 N -0.51 4.30 0.05 1.61 0.00 -1.07 -3.72 119.30 119.97 3bdk s MET 45 Ca 0.00 1.86 -0.01 0.00 0.00 0.00 0.00 55.69 57.54 3bdk s MET 45 Cb 0.00 -3.58 -0.00 0.00 0.00 0.00 0.00 34.83 31.25 3bdk s MET 45 CO 0.00 -0.54 -0.03 1.04 0.00 0.00 0.00 175.02 175.49 3bdk n GLN 46 N 5.36 0.04 -2.82 4.11 6.02 -0.61 -4.76 117.38 124.72 3bdk n GLN 46 Ca 0.12 0.02 -0.37 0.00 -0.01 0.00 0.00 57.00 56.76 3bdk n GLN 46 Cb 0.44 -0.46 -0.06 0.00 1.02 0.00 0.00 30.24 31.18 3bdk n GLN 46 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3bdk s GLY 47 N -3.82 2.82 0.35 1.08 0.00 0.03 -3.26 107.32 104.53 3bdk s GLY 47 Ca -0.02 0.48 0.07 0.00 0.00 0.00 0.00 44.72 45.26 3bdk s GLY 47 CO 0.04 0.94 0.32 -1.50 0.00 0.00 0.00 173.10 172.90 3bdk s ILE 48 N -1.53 3.44 -0.15 0.90 2.07 0.28 -2.32 121.20 123.89 3bdk s ILE 48 Ca 0.48 -1.33 -0.04 0.00 -1.41 0.00 0.00 60.65 58.35 3bdk s ILE 48 Cb -0.19 -3.17 0.07 0.00 0.13 0.00 0.00 42.46 39.30 3bdk s ILE 48 CO 0.25 -0.14 0.23 -0.69 -1.91 0.00 0.00 174.94 172.67 3bdk s VAL 49 N -2.32 -0.35 0.38 4.00 1.01 -0.25 -2.71 120.40 120.16 3bdk s VAL 49 Ca 0.43 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.43 3bdk s VAL 49 Cb -0.06 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.84 3bdk s VAL 49 CO 0.27 -0.01 0.67 0.28 0.00 0.00 0.00 175.10 176.31 3bdk s THR 50 N 2.36 0.00 0.27 3.92 -1.32 -1.24 0.38 115.64 120.01 3bdk s THR 50 Ca 0.04 -1.24 -0.06 0.00 -1.21 0.00 0.00 61.69 59.22 3bdk s THR 50 Cb -0.14 -2.82 -0.01 0.00 -1.51 0.00 0.00 72.50 68.02 3bdk s THR 50 CO -0.09 0.00 0.40 0.00 -2.21 0.00 0.00 174.62 172.72 3bdk s ALA 51 N -2.52 0.45 0.07 11.08 0.00 -1.26 -1.94 121.76 127.65 3bdk s ALA 51 Ca 0.22 -1.30 -0.20 0.00 0.00 0.00 0.00 51.96 50.67 3bdk s ALA 51 Cb -0.03 1.17 -0.07 0.00 0.00 0.00 0.00 23.12 24.20 3bdk s ALA 51 CO 0.15 -0.77 0.60 0.08 0.00 0.00 0.00 175.76 175.82 3bdk s VAL 52 N -3.69 4.72 0.00 0.00 1.01 -1.26 -4.79 120.40 116.40 3bdk s VAL 52 Ca 0.29 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.55 3bdk s VAL 52 Cb 0.01 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3bdk s VAL 52 CO 0.14 0.53 0.64 -1.22 0.00 0.00 0.00 175.10 175.19 3bdk n TYR 53 N 1.86 0.00 -0.55 5.22 4.01 -1.26 -4.71 117.16 121.73 3bdk n TYR 53 Ca -0.09 -0.15 0.06 0.00 -0.16 0.00 0.00 57.90 57.56 3bdk n TYR 53 Cb 0.51 -0.02 0.16 0.00 -0.31 0.00 0.00 39.34 39.68 3bdk n TYR 53 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3bdk n ASP 54 N -0.15 3.03 -4.13 7.72 5.75 -1.26 -4.91 116.55 122.60 3bdk n ASP 54 Ca 0.00 -2.50 -0.33 0.00 -0.01 0.00 0.00 54.79 51.96 3bdk n ASP 54 Cb 0.08 -0.33 -0.16 0.00 -1.03 0.00 0.00 41.12 39.68 3bdk n ASP 54 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3bdk s VAL 55 N -1.88 2.02 0.27 2.12 0.11 -1.26 -5.07 120.40 116.71 3bdk s VAL 55 Ca 0.27 -0.93 -0.07 0.00 -2.93 0.00 0.00 61.98 58.32 3bdk s VAL 55 Cb 0.20 -1.82 0.39 0.00 -1.53 0.00 0.00 36.38 33.62 3bdk s VAL 55 CO 0.09 0.54 1.58 -0.65 -3.33 0.00 0.00 175.10 173.33 3bdk h PRO 56 N 7.76 0.01 0.00 1.54 0.11 -1.91 -3.46 132.00 136.06 3bdk h PRO 56 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3bdk h PRO 56 Cb 1.15 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3bdk h PRO 56 CO 0.61 0.01 0.00 1.55 -0.21 0.00 0.00 178.00 179.96 3bdk n VAL 57 N -5.53 0.00 0.04 3.15 3.14 -1.26 -4.98 118.33 112.89 3bdk n VAL 57 Ca 0.16 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.39 3bdk n VAL 57 Cb 0.52 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.25 3bdk n VAL 57 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3bdk h GLY 58 N 0.00 0.62 -1.50 7.55 0.00 -1.88 -3.45 103.07 104.41 3bdk h GLY 58 Ca 0.00 -0.99 -0.53 0.00 0.00 0.00 0.00 47.33 45.81 3bdk h GLY 58 CO 0.00 0.88 0.31 1.20 0.00 0.00 0.00 176.54 178.93 3bdk s GLN 59 N -3.47 1.62 0.61 4.80 -0.21 -1.26 -4.31 119.66 117.44 3bdk s GLN 59 Ca -0.08 1.62 -0.18 0.00 0.02 0.00 0.00 55.36 56.74 3bdk s GLN 59 Cb 0.09 -1.79 -0.03 0.00 1.00 0.00 0.00 33.01 32.28 3bdk s GLN 59 CO 0.88 -2.20 1.21 0.00 -2.12 0.00 0.00 175.29 173.06 3bdk s ALA 60 N -2.36 2.50 -0.44 6.09 0.00 -1.26 -4.83 121.76 121.45 3bdk s ALA 60 Ca 0.70 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 53.48 3bdk s ALA 60 Cb -0.25 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.45 3bdk s ALA 60 CO 0.52 -1.25 0.45 -1.58 0.00 0.00 0.00 175.76 173.91 3bdk s TRP 61 N -1.65 3.17 0.38 0.00 0.52 -1.26 -5.01 118.94 115.09 3bdk s TRP 61 Ca 0.77 -0.51 -0.26 0.00 0.02 0.00 0.00 56.10 56.13 3bdk s TRP 61 Cb -0.30 -3.03 -0.09 0.00 -1.15 0.00 0.00 33.47 28.90 3bdk s TRP 61 CO 0.35 -0.77 1.11 -2.14 0.02 0.00 0.00 176.95 175.52 3bdk s PRO 62 N 2.11 4.20 0.25 4.98 0.02 -1.26 -4.45 135.00 140.85 3bdk s PRO 62 Ca 0.11 1.71 -0.04 0.00 0.02 0.00 0.00 61.00 62.80 3bdk s PRO 62 Cb -0.19 -2.72 0.40 0.00 0.02 0.00 0.00 34.50 32.01 3bdk s PRO 62 CO 0.12 -0.15 1.83 1.25 -0.33 0.00 0.00 177.00 179.72 3bdk h LEU 63 N 2.81 0.79 -1.66 -5.54 6.46 -1.97 -2.05 115.31 114.15 3bdk h LEU 63 Ca -0.48 0.04 0.38 0.00 -0.12 0.00 0.00 57.88 57.69 3bdk h LEU 63 Cb 1.22 -0.12 -0.09 0.00 -0.73 0.00 0.00 40.66 40.94 3bdk h LEU 63 CO 0.63 0.47 0.88 -0.33 -0.62 0.00 0.00 178.44 179.47 3bdk h GLU 64 N 0.91 0.12 0.13 1.25 3.07 -1.99 0.17 114.58 118.25 3bdk h GLU 64 Ca 0.41 -0.01 -0.33 0.00 -0.50 0.00 0.00 59.36 58.93 3bdk h GLU 64 Cb 0.31 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3bdk h GLU 64 CO -0.22 0.08 -1.70 -0.91 -1.40 0.00 0.00 179.01 174.86 3bdk h ASN 65 N 0.13 0.42 0.66 1.42 4.21 -1.76 -2.90 115.58 117.76 3bdk h ASN 65 Ca 0.70 -0.68 -0.27 0.00 1.21 0.00 0.00 56.30 57.26 3bdk h ASN 65 Cb 2.36 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 39.41 3bdk h ASN 65 CO -0.20 1.58 -1.31 0.16 -1.29 0.00 0.00 177.43 176.37 3bdk h ILE 66 N 0.07 1.39 -0.15 2.81 -0.00 -1.34 -3.22 117.51 117.08 3bdk h ILE 66 Ca -0.31 -3.04 -0.01 0.00 -0.00 0.00 0.00 64.86 61.50 3bdk h ILE 66 Cb 2.04 2.82 -0.01 0.00 -0.00 0.00 0.00 36.82 41.68 3bdk h ILE 66 CO 0.15 0.86 0.07 -0.07 -0.00 0.00 0.00 178.15 179.15 3bdk h LEU 67 N 0.05 0.20 -2.13 0.16 3.38 -0.83 -1.34 115.31 114.80 3bdk h LEU 67 Ca -0.15 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3bdk h LEU 67 Cb 1.94 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.64 3bdk h LEU 67 CO 0.16 0.28 0.00 1.05 0.09 0.00 0.00 178.44 180.03 3bdk h GLU 68 N 0.11 0.00 0.02 1.13 4.11 -1.57 0.29 114.58 118.67 3bdk h GLU 68 Ca 0.05 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.15 3bdk h GLU 68 Cb 0.14 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3bdk h GLU 68 CO -0.01 0.00 -1.97 1.28 0.07 0.00 0.00 179.01 178.38 3bdk n LEU 69 N -2.81 0.98 0.07 3.06 4.77 -1.15 -3.19 117.00 118.73 3bdk n LEU 69 Ca -0.01 0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 3bdk n LEU 69 Cb 0.12 0.04 0.25 0.00 -2.33 0.00 0.00 43.42 41.49 3bdk n LEU 69 CO 0.19 0.51 0.72 0.50 -1.33 0.00 0.00 177.39 177.98 3bdk h LYS 70 N 0.01 0.33 -0.04 3.23 3.64 0.10 -2.30 116.57 121.54 3bdk h LYS 70 Ca -0.39 -0.13 -0.23 0.00 -1.27 0.00 0.00 60.65 58.63 3bdk h LYS 70 Cb 2.07 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.88 3bdk h LYS 70 CO 0.06 0.60 -0.89 -0.22 -2.27 0.00 0.00 179.45 176.73 3bdk h LYS 71 N 0.29 0.54 0.00 1.90 3.64 -0.65 -0.44 116.57 121.84 3bdk h LYS 71 Ca 0.04 -0.52 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 3bdk h LYS 71 Cb 0.68 0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3bdk h LYS 71 CO 0.05 1.15 -0.11 1.98 -2.27 0.00 0.00 179.45 180.25 3bdk h MET 72 N 0.33 0.00 0.03 1.90 4.05 -1.47 -3.05 114.93 116.71 3bdk h MET 72 Ca -0.08 0.00 -0.38 0.00 -0.28 0.00 0.00 59.70 58.96 3bdk h MET 72 Cb 1.52 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.26 3bdk h MET 72 CO 0.16 0.11 -2.35 0.28 0.23 0.00 0.00 176.91 175.35 3bdk n VAL 73 N -3.68 1.55 0.04 -5.77 0.31 -0.89 -4.22 118.33 105.67 3bdk n VAL 73 Ca -0.02 -0.61 0.03 0.00 -0.01 0.00 0.00 64.34 63.72 3bdk n VAL 73 Cb 0.23 -1.42 0.39 0.00 -0.91 0.00 0.00 33.84 32.13 3bdk n VAL 73 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3bdk h GLU 74 N 0.02 0.43 0.00 5.55 4.57 -1.06 -1.25 114.58 122.84 3bdk h GLU 74 Ca -0.54 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 57.53 3bdk h GLU 74 Cb 1.96 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 30.46 3bdk h GLU 74 CO -0.04 0.40 -0.24 1.05 -1.18 0.00 0.00 179.01 179.00 3bdk h GLU 75 N 0.43 0.00 -0.04 1.92 4.11 -1.74 -2.99 114.58 116.27 3bdk h GLU 75 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 3bdk h GLU 75 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3bdk h GLU 75 CO -0.00 0.24 0.00 0.00 0.07 0.00 0.00 179.01 179.31 3bdk n ALA 76 N -2.32 2.60 -0.58 1.06 0.00 -0.48 -4.87 120.51 115.92 3bdk n ALA 76 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3bdk n ALA 76 Cb 0.36 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3bdk n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdk n GLY 77 N 0.96 0.77 3.79 0.00 0.00 -1.13 -4.91 105.19 104.68 3bdk n GLY 77 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3bdk n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdk s LEU 78 N 0.00 2.70 -0.03 0.99 1.43 -1.18 -5.06 118.68 117.54 3bdk s LEU 78 Ca 0.00 -1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 51.73 3bdk s LEU 78 Cb 0.00 -1.10 0.01 0.00 0.03 0.00 0.00 46.19 45.12 3bdk s LEU 78 CO 0.00 -0.82 0.10 -0.70 0.23 0.00 0.00 176.35 175.15 3bdk s GLU 79 N -4.01 0.20 -0.17 1.70 2.12 -1.20 -3.44 118.70 113.89 3bdk s GLU 79 Ca 0.27 -0.02 -0.29 0.00 0.36 0.00 0.00 54.97 55.29 3bdk s GLU 79 Cb 0.01 0.09 -0.00 0.00 0.26 0.00 0.00 34.13 34.49 3bdk s GLU 79 CO 0.16 -0.03 1.11 0.42 -0.54 0.00 0.00 175.26 176.37 3bdk s ILE 80 N -0.33 4.56 -0.04 -3.70 -1.09 -1.26 0.10 121.20 119.43 3bdk s ILE 80 Ca -0.04 1.87 0.13 0.00 -2.23 0.00 0.00 60.65 60.38 3bdk s ILE 80 Cb -0.03 -4.20 -0.20 0.00 -1.58 0.00 0.00 42.46 36.45 3bdk s ILE 80 CO 0.00 -0.12 0.30 1.07 -1.23 0.00 0.00 174.94 174.96 3bdk n THR 81 N 5.12 0.00 -3.58 2.92 5.66 -1.10 -4.64 114.28 118.65 3bdk n THR 81 Ca 0.12 -0.29 -0.13 0.00 -3.05 0.00 0.00 64.05 60.69 3bdk n THR 81 Cb 0.46 0.24 -0.06 0.00 -1.55 0.00 0.00 70.33 69.42 3bdk n THR 81 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3bdk s VAL 82 N -2.87 0.00 -0.23 1.08 1.01 -1.26 -3.98 120.40 114.15 3bdk s VAL 82 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 3bdk s VAL 82 Cb 0.08 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3bdk s VAL 82 CO 0.54 0.00 0.06 -0.63 0.00 0.00 0.00 175.10 175.07 3bdk s ILE 83 N -0.58 4.29 -1.05 2.22 1.01 0.37 -3.68 121.20 123.79 3bdk s ILE 83 Ca -0.03 -0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.26 3bdk s ILE 83 Cb -0.02 -2.99 0.13 0.00 0.01 0.00 0.00 42.46 39.59 3bdk s ILE 83 CO 0.02 0.37 1.30 -0.70 0.00 0.00 0.00 174.94 175.93 3bdk s GLU 84 N 1.38 3.78 0.00 2.79 2.56 -0.82 -1.51 118.70 126.89 3bdk s GLU 84 Ca 0.05 -1.98 0.00 0.00 0.00 0.00 0.00 54.97 53.04 3bdk s GLU 84 Cb -0.15 -5.05 0.00 0.00 2.00 0.00 0.00 34.13 30.93 3bdk s GLU 84 CO 0.03 -1.85 0.00 0.45 -0.56 0.00 0.00 175.26 173.33 3bdk n SER 85 N 6.61 -0.72 -4.50 -1.70 2.88 -0.84 -4.45 113.62 110.89 3bdk n SER 85 Ca 0.31 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.41 3bdk n SER 85 Cb 0.47 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.52 3bdk n SER 85 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3bdk s ILE 86 N 0.00 4.61 -0.23 2.46 1.01 -1.19 -4.79 121.20 123.07 3bdk s ILE 86 Ca 0.00 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.44 3bdk s ILE 86 Cb 0.00 -4.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 3bdk s ILE 86 CO 0.00 -0.91 1.59 -2.16 0.00 0.00 0.00 174.94 173.46 3bdk s PRO 87 N 3.36 3.81 0.17 2.79 0.04 -1.26 -4.74 135.00 139.17 3bdk s PRO 87 Ca 0.25 1.63 -0.33 0.00 0.04 0.00 0.00 61.00 62.59 3bdk s PRO 87 Cb -0.14 -4.02 -0.14 0.00 0.04 0.00 0.00 34.50 30.24 3bdk s PRO 87 CO 0.18 -1.27 1.59 0.28 0.04 0.00 0.00 177.00 177.81 3bdk n VAL 88 N 6.38 0.05 -2.20 -0.36 0.31 -1.26 -4.73 118.33 116.52 3bdk n VAL 88 Ca 0.18 -0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 64.14 3bdk n VAL 88 Cb 0.45 -1.59 0.01 0.00 -0.91 0.00 0.00 33.84 31.79 3bdk n VAL 88 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3bdk s HIS 89 N 0.89 2.65 0.28 3.52 2.46 -1.26 -4.88 115.29 118.95 3bdk s HIS 89 Ca 0.78 1.53 0.01 0.00 0.47 0.00 0.00 55.06 57.85 3bdk s HIS 89 Cb -0.65 -3.36 0.56 0.00 -0.13 0.00 0.00 32.58 29.00 3bdk s HIS 89 CO 0.38 -1.72 1.82 0.93 -2.47 0.00 0.00 174.74 173.68 3bdk h GLU 90 N 1.34 0.88 -0.19 2.88 4.39 -1.99 -0.50 114.58 121.39 3bdk h GLU 90 Ca -0.50 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.15 3bdk h GLU 90 Cb 1.27 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 3bdk h GLU 90 CO 0.57 0.58 0.12 -0.44 -1.16 0.00 0.00 179.01 178.68 3bdk h ASP 91 N 0.91 0.22 -0.10 1.42 3.32 -1.97 0.44 116.42 120.66 3bdk h ASP 91 Ca 0.50 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.46 3bdk h ASP 91 Cb 0.55 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3bdk h ASP 91 CO -0.29 0.17 -0.27 0.40 -1.72 0.00 0.00 179.24 177.53 3bdk h ILE 92 N 0.25 1.39 -0.99 0.35 2.04 -1.46 -1.64 117.51 117.46 3bdk h ILE 92 Ca 0.07 -1.58 0.06 0.00 1.00 0.00 0.00 64.86 64.40 3bdk h ILE 92 Cb -0.01 2.15 -0.06 0.00 -0.74 0.00 0.00 36.82 38.15 3bdk h ILE 92 CO -0.01 0.46 0.64 0.11 0.00 0.00 0.00 178.15 179.35 3bdk h LYS 93 N -0.08 1.15 -0.00 2.37 1.57 -0.47 -1.97 116.57 119.13 3bdk h LYS 93 Ca -0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3bdk h LYS 93 Cb 0.88 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3bdk h LYS 93 CO 0.06 0.76 -0.07 1.04 -0.57 0.00 0.00 179.45 180.67 3bdk n GLN 94 N -4.48 0.35 -2.88 3.15 6.02 0.14 -4.83 117.38 114.85 3bdk n GLN 94 Ca 0.15 -0.06 -0.21 0.00 -0.01 0.00 0.00 57.00 56.86 3bdk n GLN 94 Cb 0.16 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.95 3bdk n GLN 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bdk n GLY 95 N 1.36 -0.47 3.82 1.08 0.00 -0.74 -5.02 105.19 105.22 3bdk n GLY 95 Ca 0.12 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3bdk n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdk s LYS 96 N -5.54 3.34 0.21 1.61 1.02 -0.66 -4.96 119.74 114.76 3bdk s LYS 96 Ca 0.24 1.03 -0.07 0.00 0.02 0.00 0.00 55.97 57.19 3bdk s LYS 96 Cb -0.11 -2.04 0.17 0.00 -0.52 0.00 0.00 37.83 35.34 3bdk s LYS 96 CO 0.30 -0.78 1.72 -1.35 -0.92 0.00 0.00 175.35 174.31 3bdk h PRO 97 N 0.05 1.04 0.00 -1.68 0.11 -1.95 -1.15 132.00 128.42 3bdk h PRO 97 Ca -0.45 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.39 3bdk h PRO 97 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3bdk h PRO 97 CO 0.58 0.96 0.00 0.27 -0.21 0.00 0.00 178.00 179.60 3bdk n ASN 98 N -4.22 0.00 0.08 -2.05 6.94 -1.26 -3.89 115.26 110.87 3bdk n ASN 98 Ca 0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.47 3bdk n ASN 98 Cb 0.28 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.57 3bdk n ASN 98 CO 0.00 0.00 0.00 0.08 -1.03 0.00 0.00 177.26 176.31 3bdk h ARG 99 N 0.72 0.18 -0.71 -3.83 0.11 -1.49 -3.36 114.38 105.99 3bdk h ARG 99 Ca 0.00 -0.31 0.10 0.00 0.10 0.00 0.00 59.98 59.87 3bdk h ARG 99 Cb 0.00 0.11 -0.07 0.00 1.11 0.00 0.00 29.97 31.12 3bdk h ARG 99 CO 0.00 1.13 0.35 -0.44 0.10 0.00 0.00 179.97 181.11 3bdk h ASP 100 N 0.05 0.44 -0.37 0.08 3.32 -1.84 0.91 116.42 119.01 3bdk h ASP 100 Ca -0.11 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3bdk h ASP 100 Cb 1.91 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.44 3bdk h ASP 100 CO 0.18 0.24 0.11 0.00 -1.72 0.00 0.00 179.24 178.05 3bdk h ALA 101 N 1.44 0.48 -0.51 3.45 0.00 -1.90 0.74 119.26 122.96 3bdk h ALA 101 Ca 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3bdk h ALA 101 Cb 0.40 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3bdk h ALA 101 CO -0.28 0.12 0.33 -0.07 0.00 0.00 0.00 179.25 179.35 3bdk h LEU 102 N 0.44 0.60 -1.45 0.00 3.38 -1.36 -0.35 115.31 116.58 3bdk h LEU 102 Ca 0.12 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3bdk h LEU 102 Cb 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3bdk h LEU 102 CO -0.00 0.45 0.38 0.40 0.09 0.00 0.00 178.44 179.76 3bdk h ILE 103 N 0.69 1.13 0.42 1.22 2.04 -0.74 -1.13 117.51 121.15 3bdk h ILE 103 Ca 0.19 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3bdk h ILE 103 Cb -0.05 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 3bdk h ILE 103 CO -0.04 0.14 -0.50 -0.33 0.00 0.00 0.00 178.15 177.42 3bdk h GLU 104 N 0.75 -0.90 -0.72 2.37 4.39 0.74 0.46 114.58 121.67 3bdk h GLU 104 Ca 0.21 0.06 0.17 0.00 0.34 0.00 0.00 59.36 60.14 3bdk h GLU 104 Cb -0.05 0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 3bdk h GLU 104 CO -0.05 -0.60 0.49 -0.91 -1.16 0.00 0.00 179.01 176.78 3bdk h ASN 105 N -0.93 0.23 0.17 1.42 -0.26 -0.73 0.19 115.58 115.66 3bdk h ASN 105 Ca -0.05 0.02 -0.19 0.00 -0.56 0.00 0.00 56.30 55.52 3bdk h ASN 105 Cb 0.83 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 38.06 3bdk h ASN 105 CO -0.10 0.11 -0.72 0.22 -1.06 0.00 0.00 177.43 175.88 3bdk h TYR 106 N 0.24 0.64 -0.26 1.19 5.03 -0.79 -3.18 116.97 119.84 3bdk h TYR 106 Ca 0.35 -0.28 0.06 0.00 2.58 0.00 0.00 58.73 61.45 3bdk h TYR 106 Cb 1.03 -0.10 -0.07 0.00 1.55 0.00 0.00 36.73 39.13 3bdk h TYR 106 CO -0.00 1.04 -0.28 0.87 -1.32 0.00 0.00 178.16 178.47 3bdk h LYS 107 N 0.33 -0.27 -0.24 1.82 1.79 0.31 -2.87 116.57 117.43 3bdk h LYS 107 Ca -0.03 0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.33 3bdk h LYS 107 Cb 1.30 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.00 3bdk h LYS 107 CO 0.13 -0.18 -0.38 1.79 -1.08 0.00 0.00 179.45 179.73 3bdk h THR 108 N -0.28 1.30 -0.87 -0.16 1.35 -1.57 -2.23 112.91 110.45 3bdk h THR 108 Ca 0.14 -1.53 0.22 0.00 -0.55 0.00 0.00 66.41 64.70 3bdk h THR 108 Cb 0.50 1.52 -0.14 0.00 -1.73 0.00 0.00 68.15 68.31 3bdk h THR 108 CO -0.42 0.48 0.25 0.28 -0.25 0.00 0.00 175.52 175.86 3bdk h SER 109 N 0.46 0.04 -0.36 5.36 0.02 -1.50 0.75 113.55 118.33 3bdk h SER 109 Ca 0.04 0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 3bdk h SER 109 Cb 0.87 0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 3bdk h SER 109 CO 0.07 -0.12 -0.08 0.40 -1.14 0.00 0.00 176.83 175.96 3bdk h ILE 110 N 0.24 1.25 0.07 3.27 1.08 -1.19 -1.45 117.51 120.78 3bdk h ILE 110 Ca 0.54 -1.12 -0.00 0.00 -0.39 0.00 0.00 64.86 63.89 3bdk h ILE 110 Cb 1.06 0.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 3bdk h ILE 110 CO -0.62 0.39 -0.03 0.03 -0.69 0.00 0.00 178.15 177.22 3bdk h ARG 111 N 0.72 -0.09 -1.00 2.37 3.08 -0.38 -1.90 114.38 117.18 3bdk h ARG 111 Ca 0.13 0.01 0.29 0.00 0.07 0.00 0.00 59.98 60.47 3bdk h ARG 111 Cb 0.55 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 30.48 3bdk h ARG 111 CO 0.03 0.46 0.57 -0.91 -1.07 0.00 0.00 179.97 179.06 3bdk h ASN 112 N -0.90 0.57 -0.19 7.04 2.35 0.29 0.22 115.58 124.96 3bdk h ASN 112 Ca -0.01 0.17 -0.22 0.00 -0.55 0.00 0.00 56.30 55.70 3bdk h ASN 112 Cb 0.60 0.10 0.01 0.00 0.05 0.00 0.00 38.32 39.07 3bdk h ASN 112 CO 0.02 -0.04 -0.72 0.58 -1.65 0.00 0.00 177.43 175.61 3bdk h VAL 113 N 0.42 1.27 0.00 2.81 2.07 -1.28 -2.57 116.25 118.97 3bdk h VAL 113 Ca 0.70 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 3bdk h VAL 113 Cb 1.49 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 33.14 3bdk h VAL 113 CO -0.56 0.61 -0.10 1.23 0.02 0.00 0.00 177.57 178.77 3bdk h GLY 114 N 0.59 0.00 -2.86 2.17 0.00 -0.48 -2.54 103.07 99.95 3bdk h GLY 114 Ca -0.04 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3bdk h GLY 114 CO 0.15 0.00 0.05 0.00 0.00 0.00 0.00 176.54 176.75 3bdk n ALA 115 N -2.40 3.84 -1.98 3.60 0.00 0.69 -3.04 120.51 121.23 3bdk n ALA 115 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3bdk n ALA 115 Cb 0.19 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3bdk n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bdk n ALA 116 N 1.14 0.56 0.00 0.00 0.00 -0.96 -4.97 120.51 116.27 3bdk n ALA 116 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3bdk n ALA 116 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3bdk n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdk n GLY 117 N 0.00 2.72 3.53 0.00 0.00 -1.17 -4.96 105.19 105.31 3bdk n GLY 117 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3bdk n GLY 117 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3bdk n ILE 118 N -1.12 0.28 1.32 -0.61 5.41 -1.25 -4.90 119.36 118.48 3bdk n ILE 118 Ca 0.00 -0.36 0.13 0.00 1.00 0.00 0.00 62.75 63.51 3bdk n ILE 118 Cb 0.00 -2.14 0.42 0.00 -0.71 0.00 0.00 39.64 37.21 3bdk n ILE 118 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3bdk n PRO 119 N 8.47 1.80 -3.83 0.38 -0.04 -1.26 -4.47 135.00 136.05 3bdk n PRO 119 Ca 0.35 -1.17 -0.12 0.00 -0.04 0.00 0.00 63.50 62.51 3bdk n PRO 119 Cb 0.35 -1.46 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 3bdk n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bdk s VAL 120 N -1.93 -0.00 -0.21 0.52 1.01 -1.26 -0.67 120.40 117.86 3bdk s VAL 120 Ca 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 3bdk s VAL 120 Cb 0.20 -0.15 0.06 0.00 0.00 0.00 0.00 36.38 36.49 3bdk s VAL 120 CO 0.31 0.01 -0.03 -0.69 0.00 0.00 0.00 175.10 174.70 3bdk s VAL 121 N 0.13 1.19 0.56 2.92 1.01 -0.19 -0.48 120.40 125.54 3bdk s VAL 121 Ca -0.01 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 3bdk s VAL 121 Cb -0.02 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 3bdk s VAL 121 CO -0.00 -0.09 0.99 0.00 0.00 0.00 0.00 175.10 176.00 3bdk s TYR 123 N -2.87 -0.03 0.45 0.00 -0.85 -1.12 -2.00 117.35 110.94 3bdk s TYR 123 Ca 0.56 0.02 0.05 0.00 -0.52 0.00 0.00 57.07 57.18 3bdk s TYR 123 Cb -0.10 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.69 3bdk s TYR 123 CO 0.42 -0.04 0.08 0.54 -1.52 0.00 0.00 175.55 175.03 3bdk s ASN 124 N -1.96 4.15 -0.42 -0.18 2.20 -1.26 -0.18 114.94 117.29 3bdk s ASN 124 Ca 0.11 -1.37 0.09 0.00 -0.94 0.00 0.00 52.86 50.75 3bdk s ASN 124 Cb -0.01 -0.08 0.31 0.00 -2.00 0.00 0.00 41.25 39.47 3bdk s ASN 124 CO -0.03 -0.65 0.69 0.33 -2.94 0.00 0.00 177.10 174.50 3bdk n PHE 125 N -1.19 0.73 -4.02 1.54 7.35 -1.26 -4.61 117.46 116.00 3bdk n PHE 125 Ca -0.08 -3.78 -0.31 0.00 -0.76 0.00 0.00 57.45 52.52 3bdk n PHE 125 Cb 0.66 -0.42 -0.15 0.00 0.35 0.00 0.00 39.48 39.92 3bdk n PHE 125 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 3bdk s MET 126 N -2.15 1.99 0.27 -4.13 1.75 -1.26 -4.78 119.30 111.00 3bdk s MET 126 Ca 0.39 -1.18 -0.28 0.00 -1.25 0.00 0.00 55.69 53.37 3bdk s MET 126 Cb 0.27 -2.75 -0.15 0.00 2.84 0.00 0.00 34.83 35.04 3bdk s MET 126 CO -0.09 -0.57 0.93 -2.30 -0.65 0.00 0.00 175.02 172.34 3bdk n PRO 127 N 4.54 1.13 0.00 4.11 -0.02 -1.26 -4.17 135.00 139.32 3bdk n PRO 127 Ca -0.13 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3bdk n PRO 127 Cb 0.43 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3bdk n PRO 127 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3bdk n VAL 128 N 0.21 0.00 -4.23 -1.45 0.31 -1.26 -4.76 118.33 107.15 3bdk n VAL 128 Ca 0.11 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.21 3bdk n VAL 128 Cb 0.31 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.18 3bdk n VAL 128 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3bdk s PHE 129 N 0.00 2.85 -1.31 3.52 0.40 -1.26 -5.03 117.98 117.14 3bdk s PHE 129 Ca 0.00 -0.18 0.22 0.00 -0.60 0.00 0.00 56.93 56.37 3bdk s PHE 129 Cb 0.00 -1.27 -0.00 0.00 0.51 0.00 0.00 43.02 42.25 3bdk s PHE 129 CO 0.00 0.58 1.07 -0.25 0.70 0.00 0.00 175.22 177.32 3bdk n ASP 130 N -1.00 1.19 -3.62 1.36 10.43 -1.26 -4.74 116.55 118.90 3bdk n ASP 130 Ca -0.07 -1.02 -0.02 0.00 2.57 0.00 0.00 54.79 56.25 3bdk n ASP 130 Cb 0.59 0.70 -0.01 0.00 1.84 0.00 0.00 41.12 44.24 3bdk n ASP 130 CO 0.00 0.00 0.00 -1.66 -1.07 0.00 0.00 177.20 174.47 3bdk s TRP 131 N -2.83 -0.13 -0.08 1.24 1.48 -1.25 -4.63 118.94 112.74 3bdk s TRP 131 Ca 0.12 -0.01 -0.04 0.00 -1.06 0.00 0.00 56.10 55.12 3bdk s TRP 131 Cb 0.17 0.56 0.04 0.00 -1.16 0.00 0.00 33.47 33.08 3bdk s TRP 131 CO 0.75 -0.40 0.18 0.99 -4.06 0.00 0.00 176.95 174.40 3bdk s THR 132 N -2.69 -0.11 0.13 0.66 2.01 -1.21 -5.00 115.64 109.42 3bdk s THR 132 Ca 0.11 0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.40 3bdk s THR 132 Cb 0.01 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 3bdk s THR 132 CO -0.04 0.09 -0.18 -0.13 -0.69 0.00 0.00 174.62 173.68 3bdk s ARG 133 N 1.49 1.14 0.18 4.92 1.81 -1.26 -4.69 118.95 122.54 3bdk s ARG 133 Ca -0.06 -1.27 0.22 0.00 -1.72 0.00 0.00 55.73 52.91 3bdk s ARG 133 Cb -0.11 -1.20 -0.03 0.00 -0.45 0.00 0.00 34.95 33.16 3bdk s ARG 133 CO -0.07 0.25 1.00 -1.13 -0.68 0.00 0.00 175.30 174.67 3bdk n SER 134 N 0.64 0.79 -3.63 0.23 3.41 -0.37 -4.94 113.62 109.75 3bdk n SER 134 Ca -0.16 0.30 -0.03 0.00 -0.26 0.00 0.00 58.87 58.73 3bdk n SER 134 Cb 0.56 0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 65.01 3bdk n SER 134 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bdk s ASP 135 N -5.31 -1.02 -0.06 4.04 -1.08 -0.83 -4.97 116.67 107.44 3bdk s ASP 135 Ca -0.01 1.47 0.16 0.00 -0.52 0.00 0.00 52.55 53.65 3bdk s ASP 135 Cb 0.10 1.91 0.53 0.00 -1.46 0.00 0.00 42.92 44.00 3bdk s ASP 135 CO 0.80 -0.22 1.45 0.18 0.52 0.00 0.00 175.17 177.90 3bdk n LEU 136 N 4.97 3.83 -2.86 -1.34 4.77 -1.26 -0.92 117.00 124.19 3bdk n LEU 136 Ca -0.15 -2.30 -0.11 0.00 -0.03 0.00 0.00 56.01 53.42 3bdk n LEU 136 Cb 0.53 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3bdk n LEU 136 CO -0.03 0.79 0.18 1.41 -1.33 0.00 0.00 177.39 178.41 3bdk n HIS 137 N 0.73 -1.89 -2.86 -1.77 8.25 -1.26 -4.67 115.22 111.76 3bdk n HIS 137 Ca 0.20 -2.61 -0.41 0.00 -0.26 0.00 0.00 57.72 54.63 3bdk n HIS 137 Cb 0.68 1.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.75 3bdk n HIS 137 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3bdk s HIS 138 N -0.58 3.63 0.35 4.41 2.46 0.33 -4.72 115.29 121.17 3bdk s HIS 138 Ca 0.27 1.51 -0.28 0.00 0.47 0.00 0.00 55.06 57.03 3bdk s HIS 138 Cb 0.32 -2.98 -0.11 0.00 -0.13 0.00 0.00 32.58 29.68 3bdk s HIS 138 CO -0.06 0.05 1.41 -2.14 -2.47 0.00 0.00 174.74 171.53 3bdk s PRO 139 N 0.85 4.22 0.23 2.88 0.02 -1.26 -0.16 135.00 141.78 3bdk s PRO 139 Ca 0.46 2.42 0.07 0.00 0.02 0.00 0.00 61.00 63.96 3bdk s PRO 139 Cb -0.20 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 3bdk s PRO 139 CO 0.24 -0.39 0.17 -0.51 -0.33 0.00 0.00 177.00 176.18 3bdk s LEU 140 N -1.87 3.76 0.43 -5.54 1.43 -0.34 -4.86 118.68 111.70 3bdk s LEU 140 Ca 0.52 -0.26 0.23 0.00 -1.03 0.00 0.00 54.13 53.59 3bdk s LEU 140 Cb -0.44 -2.31 1.23 0.00 0.03 0.00 0.00 46.19 44.70 3bdk s LEU 140 CO 0.58 -0.01 1.77 -0.65 0.23 0.00 0.00 176.35 178.26 3bdk h PRO 141 N 1.71 0.27 -0.07 1.29 0.11 -1.97 -0.80 132.00 132.55 3bdk h PRO 141 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3bdk h PRO 141 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3bdk h PRO 141 CO 0.61 0.18 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 3bdk n ASP 142 N -4.54 0.67 0.00 -2.05 5.68 -1.26 -4.90 116.55 110.15 3bdk n ASP 142 Ca 0.26 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.00 3bdk n ASP 142 Cb 1.00 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.94 3bdk n ASP 142 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bdk n GLY 143 N 0.92 2.19 3.60 6.12 0.00 -0.30 -5.06 105.19 112.66 3bdk n GLY 143 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3bdk n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bdk s SER 144 N -1.96 1.47 0.09 1.61 1.04 -1.26 -4.77 113.70 109.92 3bdk s SER 144 Ca 0.00 0.91 0.04 0.00 0.48 0.00 0.00 55.95 57.38 3bdk s SER 144 Cb 0.00 -1.37 -0.03 0.00 0.10 0.00 0.00 66.02 64.72 3bdk s SER 144 CO 0.00 -3.81 -0.11 0.42 0.98 0.00 0.00 173.24 170.72 3bdk s THR 145 N -2.92 1.01 0.21 2.02 -4.23 -1.20 -1.20 115.64 109.33 3bdk s THR 145 Ca 0.68 -1.58 -0.14 0.00 -1.18 0.00 0.00 61.69 59.47 3bdk s THR 145 Cb -0.14 -1.31 0.01 0.00 1.34 0.00 0.00 72.50 72.39 3bdk s THR 145 CO 0.57 -0.48 0.46 -0.94 -0.54 0.00 0.00 174.62 173.70 3bdk s SER 146 N -2.31 -0.14 0.28 3.99 1.04 0.77 -0.59 113.70 116.74 3bdk s SER 146 Ca 0.04 -0.72 -0.29 0.00 0.48 0.00 0.00 55.95 55.46 3bdk s SER 146 Cb -0.05 0.56 -0.10 0.00 0.10 0.00 0.00 66.02 66.54 3bdk s SER 146 CO 0.01 -1.06 1.13 -0.76 0.98 0.00 0.00 173.24 173.54 3bdk s LEU 147 N -2.94 4.53 0.00 2.42 1.43 -1.26 -0.51 118.68 122.35 3bdk s LEU 147 Ca 0.15 2.32 -0.00 0.00 -1.03 0.00 0.00 54.13 55.57 3bdk s LEU 147 Cb -0.00 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.58 3bdk s LEU 147 CO 0.02 -0.20 -0.00 0.00 0.23 0.00 0.00 176.35 176.40 3bdk s ALA 148 N -1.12 0.02 -0.36 4.21 0.00 -0.09 -1.40 121.76 123.01 3bdk s ALA 148 Ca 0.45 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 3bdk s ALA 148 Cb -0.33 0.04 0.06 0.00 0.00 0.00 0.00 23.12 22.89 3bdk s ALA 148 CO 0.42 -0.06 0.15 0.12 0.00 0.00 0.00 175.76 176.39 3bdk s PHE 149 N -0.48 3.32 -0.35 0.00 5.36 -0.17 -1.23 117.98 124.42 3bdk s PHE 149 Ca -0.05 -1.61 -0.06 0.00 -0.96 0.00 0.00 56.93 54.25 3bdk s PHE 149 Cb -0.03 -2.55 0.05 0.00 -0.34 0.00 0.00 43.02 40.15 3bdk s PHE 149 CO -0.00 -0.79 0.11 -0.51 -1.46 0.00 0.00 175.22 172.57 3bdk s LEU 150 N 1.36 4.41 0.12 6.12 1.02 -1.26 -0.82 118.68 129.63 3bdk s LEU 150 Ca 0.00 -1.26 -0.28 0.00 0.02 0.00 0.00 54.13 52.62 3bdk s LEU 150 Cb -0.21 -1.86 -0.08 0.00 0.02 0.00 0.00 46.19 44.06 3bdk s LEU 150 CO 0.01 -0.36 1.46 0.11 0.02 0.00 0.00 176.35 177.60 3bdk h LYS 151 N 8.19 -0.23 -0.10 1.70 1.57 -1.70 -1.37 116.57 124.64 3bdk h LYS 151 Ca -0.22 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3bdk h LYS 151 Cb 1.08 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 3bdk h LYS 151 CO 0.62 -0.15 0.22 0.77 -0.57 0.00 0.00 179.45 180.33 3bdk h SER 152 N -0.24 0.00 1.47 0.86 0.02 -1.95 0.72 113.55 114.43 3bdk h SER 152 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3bdk h SER 152 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3bdk h SER 152 CO -0.60 0.00 -0.51 0.44 -1.14 0.00 0.00 176.83 175.03 3bdk h ASP 153 N 0.00 0.00 -0.61 3.07 5.19 -1.64 -3.13 116.42 119.30 3bdk h ASP 153 Ca 0.05 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3bdk h ASP 153 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 3bdk h ASP 153 CO -0.00 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.30 3bdk n LEU 154 N -2.86 3.52 0.08 1.55 4.32 0.25 -4.40 117.00 119.45 3bdk n LEU 154 Ca 0.02 -1.71 -0.13 0.00 -0.02 0.00 0.00 56.01 54.17 3bdk n LEU 154 Cb 0.54 -0.40 -0.08 0.00 -1.62 0.00 0.00 43.42 41.85 3bdk n LEU 154 CO 0.37 0.85 0.63 0.00 -1.22 0.00 0.00 177.39 178.02 3bdk h ALA 155 N 4.28 -0.21 -0.87 -1.18 0.00 -1.39 -3.27 119.26 116.63 3bdk h ALA 155 Ca 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.88 3bdk h ALA 155 Cb 0.90 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 3bdk h ALA 155 CO 0.00 -0.45 0.46 0.78 0.00 0.00 0.00 179.25 180.04 3bdk h GLY 156 N -0.54 1.43 -4.18 0.00 0.00 -1.78 -3.45 103.07 94.55 3bdk h GLY 156 Ca -0.02 -0.27 -0.52 0.00 0.00 0.00 0.00 47.33 46.52 3bdk h GLY 156 CO 0.03 -0.03 0.65 -1.34 0.00 0.00 0.00 176.54 175.86 3bdk s VAL 157 N -5.96 3.09 -0.23 4.60 -7.23 -1.23 -5.04 120.40 108.41 3bdk s VAL 157 Ca -0.12 0.93 -0.08 0.00 -1.81 0.00 0.00 61.98 60.91 3bdk s VAL 157 Cb 0.22 -3.59 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 3bdk s VAL 157 CO 0.78 0.15 0.07 -0.62 -0.31 0.00 0.00 175.10 175.18 3bdk s ASP 158 N 0.19 5.37 0.45 4.85 2.15 -1.26 -5.04 116.67 123.37 3bdk s ASP 158 Ca 0.55 -0.09 0.00 0.00 0.43 0.00 0.00 52.55 53.45 3bdk s ASP 158 Cb -0.37 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 3bdk s ASP 158 CO 0.41 0.04 0.00 -0.81 -0.17 0.00 0.00 175.17 174.64 3bdk n PRO 159 N 4.41 0.57 0.00 4.34 -0.04 -1.26 -5.24 135.00 137.79 3bdk n PRO 159 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 3bdk n PRO 159 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3bdk n PRO 159 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3bdk n SER 174 N -1.39 0.00 0.00 3.54 7.64 -1.26 -4.92 113.62 117.23 3bdk n SER 174 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3bdk n SER 174 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3bdk n SER 174 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bdk n LYS 175 N 0.00 0.00 0.22 1.43 4.76 -1.26 -4.63 118.16 118.68 3bdk n LYS 175 Ca 0.00 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.53 3bdk n LYS 175 Cb 0.00 -0.32 0.47 0.00 -1.84 0.00 0.00 35.03 33.34 3bdk n LYS 175 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3bdk h GLU 176 N 0.00 0.00 0.17 1.97 4.57 -2.05 -3.10 114.58 116.15 3bdk h GLU 176 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3bdk h GLU 176 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3bdk h GLU 176 CO 0.00 0.25 -0.08 1.49 -1.18 0.00 0.00 179.01 179.48 3bdk h GLU 177 N 0.00 -0.23 -0.66 1.92 4.81 -1.99 -3.17 114.58 115.26 3bdk h GLU 177 Ca -0.00 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 3bdk h GLU 177 Cb 0.71 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.07 3bdk h GLU 177 CO 0.03 0.19 0.31 0.52 -0.73 0.00 0.00 179.01 179.33 3bdk h MET 178 N -0.87 0.52 -0.56 1.92 2.86 -1.82 0.28 114.93 117.27 3bdk h MET 178 Ca -0.02 -0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.68 3bdk h MET 178 Cb 0.52 -0.12 -0.11 0.00 0.06 0.00 0.00 31.60 31.95 3bdk h MET 178 CO 0.04 0.34 -0.36 -0.22 1.06 0.00 0.00 176.91 177.77 3bdk h LYS 179 N 0.53 -0.19 0.00 1.72 3.64 -1.65 0.33 116.57 120.95 3bdk h LYS 179 Ca 0.32 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 3bdk h LYS 179 Cb 0.35 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3bdk h LYS 179 CO -0.27 -0.13 -0.14 0.00 -2.27 0.00 0.00 179.45 176.65 3bdk h ALA 180 N 0.84 1.03 -0.23 5.00 0.00 -1.13 0.22 119.26 124.99 3bdk h ALA 180 Ca 0.21 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3bdk h ALA 180 Cb 0.56 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3bdk h ALA 180 CO -0.66 0.17 -0.57 0.82 0.00 0.00 0.00 179.25 179.01 3bdk h ILE 181 N 0.00 1.30 -0.12 0.00 2.04 0.11 -2.04 117.51 118.80 3bdk h ILE 181 Ca -0.00 -1.79 -0.07 0.00 1.00 0.00 0.00 64.86 64.00 3bdk h ILE 181 Cb 0.64 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3bdk h ILE 181 CO 0.02 0.57 -0.19 0.40 0.00 0.00 0.00 178.15 178.95 3bdk h ILE 182 N 0.55 1.37 -0.55 -0.67 2.04 0.17 -2.34 117.51 118.08 3bdk h ILE 182 Ca 0.00 -1.43 0.10 0.00 1.00 0.00 0.00 64.86 64.54 3bdk h ILE 182 Cb 1.16 2.02 -0.08 0.00 -0.74 0.00 0.00 36.82 39.18 3bdk h ILE 182 CO 0.12 0.41 0.08 -0.33 0.00 0.00 0.00 178.15 178.43 3bdk h GLU 183 N -0.08 0.20 0.31 2.37 5.08 -1.01 -0.45 114.58 121.01 3bdk h GLU 183 Ca 0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bdk h GLU 183 Cb 0.75 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3bdk h GLU 183 CO 0.04 0.13 -0.26 -0.97 -1.00 0.00 0.00 179.01 176.95 3bdk h ASN 184 N 0.21 -0.69 -0.37 1.42 -1.24 -1.26 -0.87 115.58 112.77 3bdk h ASN 184 Ca 0.28 0.06 0.05 0.00 0.71 0.00 0.00 56.30 57.40 3bdk h ASN 184 Cb 0.41 0.23 -0.05 0.00 0.73 0.00 0.00 38.32 39.65 3bdk h ASN 184 CO -0.39 -0.39 0.10 1.88 -1.29 0.00 0.00 177.43 177.34 3bdk h TYR 185 N -0.59 0.18 0.65 0.67 0.99 -1.25 0.23 116.97 117.85 3bdk h TYR 185 Ca -0.02 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 3bdk h TYR 185 Cb 0.52 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.23 3bdk h TYR 185 CO -0.15 0.06 -0.33 0.00 -0.00 0.00 0.00 178.16 177.74 3bdk h ARG 186 N 0.24 -0.86 0.14 4.88 3.08 -0.97 -3.03 114.38 117.87 3bdk h ARG 186 Ca 0.17 0.06 -0.30 0.00 0.07 0.00 0.00 59.98 59.98 3bdk h ARG 186 Cb 0.18 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3bdk h ARG 186 CO -0.20 -0.57 -1.45 1.96 -1.07 0.00 0.00 179.97 178.64 3bdk h GLN 187 N -0.89 0.29 0.00 0.04 4.20 -1.15 -3.42 115.11 114.18 3bdk h GLN 187 Ca -0.09 -0.50 -0.11 0.00 0.06 0.00 0.00 58.65 58.02 3bdk h GLN 187 Cb 0.69 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3bdk h GLN 187 CO 0.13 1.19 -1.47 0.09 -0.67 0.00 0.00 178.83 178.10 3bdk n ASN 188 N -3.51 3.24 -4.42 1.46 5.03 0.78 -4.94 115.26 112.90 3bdk n ASN 188 Ca -0.14 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 54.91 3bdk n ASN 188 Cb 1.05 0.78 -0.11 0.00 -1.02 0.00 0.00 39.78 40.47 3bdk n ASN 188 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3bdk s ILE 189 N -2.23 4.71 0.56 2.41 -1.09 -1.02 -5.00 121.20 119.54 3bdk s ILE 189 Ca -0.03 -0.62 0.05 0.00 -2.23 0.00 0.00 60.65 57.81 3bdk s ILE 189 Cb 0.03 -3.53 0.06 0.00 -1.58 0.00 0.00 42.46 37.44 3bdk s ILE 189 CO 0.30 -0.11 0.78 -0.94 -1.23 0.00 0.00 174.94 173.73 3bdk s SER 190 N 1.60 5.11 0.13 3.58 1.04 -1.26 -4.65 113.70 119.25 3bdk s SER 190 Ca 0.04 -0.44 -0.24 0.00 0.48 0.00 0.00 55.95 55.78 3bdk s SER 190 Cb -0.18 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 3bdk s SER 190 CO 0.07 -1.27 1.64 -0.33 0.98 0.00 0.00 173.24 174.34 3bdk h GLU 191 N 0.11 -0.32 -0.81 4.02 5.08 -1.96 -0.87 114.58 119.84 3bdk h GLU 191 Ca -0.37 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.11 3bdk h GLU 191 Cb 1.28 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.55 3bdk h GLU 191 CO 0.44 -0.21 0.53 0.93 -1.00 0.00 0.00 179.01 179.70 3bdk h GLU 192 N -0.33 0.72 -0.61 2.33 4.39 -1.98 0.28 114.58 119.37 3bdk h GLU 192 Ca 0.08 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.75 3bdk h GLU 192 Cb 0.44 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 3bdk h GLU 192 CO -0.25 0.48 0.39 -0.44 -1.16 0.00 0.00 179.01 178.03 3bdk h ASP 193 N 0.74 0.65 0.50 1.42 3.45 -1.60 -0.25 116.42 121.33 3bdk h ASP 193 Ca 0.37 -0.01 -0.16 0.00 0.43 0.00 0.00 57.03 57.67 3bdk h ASP 193 Cb 0.46 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.07 3bdk h ASP 193 CO -0.15 0.46 -0.70 0.25 -1.57 0.00 0.00 179.24 177.53 3bdk h LEU 194 N 0.77 0.20 0.02 1.55 5.85 0.40 0.17 115.31 124.28 3bdk h LEU 194 Ca 0.24 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3bdk h LEU 194 Cb -0.02 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3bdk h LEU 194 CO -0.08 0.84 -0.04 -0.50 -0.34 0.00 0.00 178.44 178.32 3bdk h TRP 195 N 0.12 -0.09 -0.85 1.25 4.06 -0.30 -2.03 115.95 118.11 3bdk h TRP 195 Ca -0.02 0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.00 3bdk h TRP 195 Cb 1.25 0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 29.39 3bdk h TRP 195 CO 0.02 -0.06 0.52 0.00 -3.56 0.00 0.00 178.44 175.36 3bdk h ALA 196 N 0.90 1.16 -0.38 1.49 0.00 -0.58 0.14 119.26 121.98 3bdk h ALA 196 Ca 0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3bdk h ALA 196 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3bdk h ALA 196 CO -0.02 0.25 0.02 -0.91 0.00 0.00 0.00 179.25 178.59 3bdk h ASN 197 N 0.94 0.56 -0.04 0.00 2.35 -0.56 -2.14 115.58 116.69 3bdk h ASN 197 Ca 0.37 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.90 3bdk h ASN 197 Cb 0.19 -0.15 0.01 0.00 0.05 0.00 0.00 38.32 38.42 3bdk h ASN 197 CO -0.18 0.62 -0.40 0.25 -1.65 0.00 0.00 177.43 176.07 3bdk h LEU 198 N 0.57 0.43 -0.61 1.61 5.85 -0.53 -2.50 115.31 120.13 3bdk h LEU 198 Ca 0.12 -0.70 0.05 0.00 0.84 0.00 0.00 57.88 58.20 3bdk h LEU 198 Cb 0.34 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3bdk h LEU 198 CO 0.01 1.06 0.33 -0.08 -0.34 0.00 0.00 178.44 179.42 3bdk h GLU 199 N -0.17 0.60 -0.41 1.25 4.81 -0.68 0.38 114.58 120.36 3bdk h GLU 199 Ca -0.04 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3bdk h GLU 199 Cb 1.09 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.28 3bdk h GLU 199 CO 0.08 0.40 0.11 -0.92 -0.73 0.00 0.00 179.01 177.95 3bdk h TYR 200 N 0.62 0.18 -0.44 0.92 3.20 -1.40 -0.89 116.97 119.16 3bdk h TYR 200 Ca 0.27 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3bdk h TYR 200 Cb 0.17 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3bdk h TYR 200 CO -0.09 0.05 0.22 0.35 -1.64 0.00 0.00 178.16 177.04 3bdk h PHE 201 N 0.25 0.62 0.70 -3.82 3.04 -0.83 -2.62 116.94 114.29 3bdk h PHE 201 Ca 0.20 -0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.08 3bdk h PHE 201 Cb 0.22 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 38.54 3bdk h PHE 201 CO -0.18 0.50 -0.34 0.82 -2.02 0.00 0.00 178.31 177.09 3bdk h ILE 202 N 0.56 0.19 0.00 1.41 1.08 0.10 -2.17 117.51 118.68 3bdk h ILE 202 Ca 0.15 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3bdk h ILE 202 Cb 0.10 0.24 -0.00 0.00 -3.07 0.00 0.00 36.82 34.09 3bdk h ILE 202 CO -0.02 0.02 -0.02 0.07 -0.69 0.00 0.00 178.15 177.51 3bdk h LYS 203 N -1.11 0.00 0.01 2.37 2.10 -1.25 -0.60 116.57 118.10 3bdk h LYS 203 Ca -0.10 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.55 3bdk h LYS 203 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 3bdk h LYS 203 CO 0.16 0.02 -0.01 0.00 -2.00 0.00 0.00 179.45 177.62 3bdk h ALA 204 N 1.98 -0.02 0.00 0.07 0.00 -1.32 -3.39 119.26 116.59 3bdk h ALA 204 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3bdk h ALA 204 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3bdk h ALA 204 CO 0.00 -0.38 -1.36 0.44 0.00 0.00 0.00 179.25 177.95 3bdk n ILE 205 N -4.97 0.28 0.12 0.00 -5.35 -0.33 -4.54 119.36 104.57 3bdk n ILE 205 Ca -0.08 -0.45 -0.13 0.00 -0.27 0.00 0.00 62.75 61.82 3bdk n ILE 205 Cb 0.16 -0.06 -0.08 0.00 -1.74 0.00 0.00 39.64 37.91 3bdk n ILE 205 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3bdk h LEU 206 N 0.00 -0.25 -0.97 7.28 -0.00 -1.49 -1.42 115.31 118.46 3bdk h LEU 206 Ca 0.00 -0.19 0.10 0.00 -0.00 0.00 0.00 57.88 57.80 3bdk h LEU 206 Cb 0.92 0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 41.57 3bdk h LEU 206 CO 0.00 0.06 0.60 1.55 -0.00 0.00 0.00 178.44 180.65 3bdk h PRO 207 N -0.57 0.97 -0.92 1.13 0.13 -1.82 0.57 132.00 131.48 3bdk h PRO 207 Ca -0.03 -0.06 0.20 0.00 -0.87 0.00 0.00 66.00 65.24 3bdk h PRO 207 Cb 0.42 -0.22 -0.07 0.00 0.13 0.00 0.00 31.00 31.26 3bdk h PRO 207 CO 0.05 0.64 0.60 1.15 -0.23 0.00 0.00 178.00 180.21 3bdk h THR 208 N 1.00 0.68 0.09 1.56 2.02 -1.74 0.54 112.91 117.05 3bdk h THR 208 Ca 0.46 -0.16 -0.32 0.00 0.77 0.00 0.00 66.41 67.17 3bdk h THR 208 Cb 0.39 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3bdk h THR 208 CO -0.24 0.08 -1.71 0.00 0.37 0.00 0.00 175.52 174.02 3bdk h ALA 209 N 1.61 0.46 0.00 6.16 0.00 0.94 -2.80 119.26 125.63 3bdk h ALA 209 Ca 0.49 -1.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.05 3bdk h ALA 209 Cb 1.14 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3bdk h ALA 209 CO -0.21 1.32 -0.27 0.93 0.00 0.00 0.00 179.25 181.02 3bdk h GLU 210 N 0.05 0.00 0.00 0.00 5.08 0.23 -2.59 114.58 117.35 3bdk h GLU 210 Ca -0.30 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 3bdk h GLU 210 Cb 2.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 3bdk h GLU 210 CO 0.12 0.27 -0.18 1.05 -1.00 0.00 0.00 179.01 179.27 3bdk h GLU 211 N 0.00 0.00 -0.16 2.33 4.11 0.14 -3.20 114.58 117.79 3bdk h GLU 211 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3bdk h GLU 211 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3bdk h GLU 211 CO 0.04 0.18 0.00 0.00 0.07 0.00 0.00 179.01 179.29 3bdk n ALA 212 N -2.19 2.41 0.00 1.06 0.00 -1.04 -4.98 120.51 115.77 3bdk n ALA 212 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3bdk n ALA 212 Cb 0.42 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3bdk n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bdk n GLY 213 N 0.95 2.97 3.71 0.00 0.00 -1.01 -4.36 105.19 107.46 3bdk n GLY 213 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3bdk n GLY 213 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bdk s VAL 214 N -0.95 3.20 -0.18 1.61 1.01 -1.05 -4.92 120.40 119.12 3bdk s VAL 214 Ca 0.00 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 62.71 3bdk s VAL 214 Cb 0.00 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3bdk s VAL 214 CO 0.00 0.06 0.18 -0.54 0.00 0.00 0.00 175.10 174.79 3bdk s LYS 215 N 1.26 4.17 0.19 2.72 1.02 0.15 -4.37 119.74 124.88 3bdk s LYS 215 Ca 0.66 -0.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.36 3bdk s LYS 215 Cb -0.38 -3.41 -0.08 0.00 -0.52 0.00 0.00 37.83 33.45 3bdk s LYS 215 CO 0.30 0.31 0.63 -1.64 -0.92 0.00 0.00 175.35 174.03 3bdk s MET 216 N 0.30 4.09 -0.23 1.68 -1.94 -0.13 -1.02 119.30 122.05 3bdk s MET 216 Ca 0.11 0.65 -0.03 0.00 -1.71 0.00 0.00 55.69 54.71 3bdk s MET 216 Cb -0.12 -2.88 0.11 0.00 2.01 0.00 0.00 34.83 33.96 3bdk s MET 216 CO 0.00 0.42 0.29 0.00 -0.01 0.00 0.00 175.02 175.73 3bdk s ALA 217 N -1.52 -0.64 -0.26 3.03 0.00 -0.28 -1.07 121.76 121.02 3bdk s ALA 217 Ca 0.41 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.66 3bdk s ALA 217 Cb -0.15 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 3bdk s ALA 217 CO 0.20 -1.26 0.71 -1.50 0.00 0.00 0.00 175.76 173.91 3bdk s ILE 218 N 2.42 4.92 0.02 0.00 2.07 -0.56 -2.80 121.20 127.27 3bdk s ILE 218 Ca 0.10 1.25 -0.30 0.00 -1.41 0.00 0.00 60.65 60.29 3bdk s ILE 218 Cb -0.15 -4.02 -0.07 0.00 0.13 0.00 0.00 42.46 38.35 3bdk s ILE 218 CO -0.15 -0.04 1.58 -2.28 -1.91 0.00 0.00 174.94 172.14 3bdk s HIS 219 N 2.66 2.43 1.14 3.50 5.65 0.75 -1.91 115.29 129.50 3bdk s HIS 219 Ca 0.29 0.42 -0.13 0.00 0.25 0.00 0.00 55.06 55.90 3bdk s HIS 219 Cb -0.15 -3.87 0.27 0.00 -1.18 0.00 0.00 32.58 27.65 3bdk s HIS 219 CO 0.09 -3.48 1.04 -1.25 -0.65 0.00 0.00 174.74 170.49 3bdk s PRO 220 N 2.93 -0.69 0.08 2.88 0.04 -1.26 -4.52 135.00 134.46 3bdk s PRO 220 Ca 0.71 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 3bdk s PRO 220 Cb -0.36 -1.59 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 3bdk s PRO 220 CO 0.30 -3.54 1.06 -0.51 0.04 0.00 0.00 177.00 174.35 3bdk s ASP 221 N -2.75 7.29 -0.33 6.66 -0.00 0.12 -4.99 116.67 122.67 3bdk s ASP 221 Ca 0.68 1.88 -0.01 0.00 -0.00 0.00 0.00 52.55 55.10 3bdk s ASP 221 Cb -0.23 -2.58 0.11 0.00 -0.00 0.00 0.00 42.92 40.22 3bdk s ASP 221 CO 0.63 -0.27 0.15 -0.62 -0.00 0.00 0.00 175.17 175.06 3bdk s ASP 222 N 0.58 3.61 0.91 0.27 2.15 -1.26 -1.64 116.67 121.29 3bdk s ASP 222 Ca 0.52 -1.81 -0.12 0.00 0.43 0.00 0.00 52.55 51.57 3bdk s ASP 222 Cb -0.26 -0.65 0.19 0.00 -0.30 0.00 0.00 42.92 41.91 3bdk s ASP 222 CO 0.30 -0.38 1.25 -2.16 -0.17 0.00 0.00 175.17 174.02 3bdk s PRO 223 N 1.44 0.82 -0.64 4.34 0.04 -1.26 -3.34 135.00 136.40 3bdk s PRO 223 Ca 0.13 -0.63 -0.02 0.00 0.04 0.00 0.00 61.00 60.51 3bdk s PRO 223 Cb -0.19 -1.96 0.40 0.00 0.04 0.00 0.00 34.50 32.78 3bdk s PRO 223 CO -0.19 -2.23 2.06 -0.35 0.04 0.00 0.00 177.00 176.33 3bdk n PRO 224 N -3.56 2.57 -3.87 0.56 -0.04 -0.65 -4.87 135.00 125.13 3bdk n PRO 224 Ca 0.16 -3.06 -0.09 0.00 -0.04 0.00 0.00 63.50 60.46 3bdk n PRO 224 Cb 0.60 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.81 3bdk n PRO 224 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3bdk s TYR 225 N -3.53 0.16 0.16 0.54 -0.85 -1.26 -4.68 117.35 107.89 3bdk s TYR 225 Ca 0.59 -0.51 -0.31 0.00 -0.52 0.00 0.00 57.07 56.31 3bdk s TYR 225 Cb 0.46 0.21 -0.11 0.00 0.38 0.00 0.00 41.96 42.91 3bdk s TYR 225 CO -0.06 -0.88 1.78 0.20 -1.52 0.00 0.00 175.55 175.06 3bdk s GLY 226 N -2.94 1.27 0.11 5.49 0.00 -1.26 -4.84 107.32 105.15 3bdk s GLY 226 Ca 0.15 1.52 0.08 0.00 0.00 0.00 0.00 44.72 46.46 3bdk s GLY 226 CO 0.01 3.02 -0.12 -0.26 0.00 0.00 0.00 173.10 175.75 3bdk s ILE 227 N 1.99 3.23 -1.32 0.90 -4.36 -1.25 -4.78 121.20 115.61 3bdk s ILE 227 Ca 0.78 -1.33 -0.09 0.00 -0.26 0.00 0.00 60.65 59.76 3bdk s ILE 227 Cb -0.48 -2.50 0.06 0.00 1.25 0.00 0.00 42.46 40.79 3bdk s ILE 227 CO 0.34 0.11 0.51 0.49 0.24 0.00 0.00 174.94 176.63 3bdk n PHE 228 N 0.74 -1.82 -0.95 1.37 3.72 -1.26 0.09 117.46 119.35 3bdk n PHE 228 Ca -0.14 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.74 3bdk n PHE 228 Cb 0.52 -3.18 0.00 0.00 -0.94 0.00 0.00 39.48 35.89 3bdk n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bdk n GLY 229 N -1.23 0.02 3.81 1.37 0.00 -1.26 -4.97 105.19 102.93 3bdk n GLY 229 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3bdk n GLY 229 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bdk s LEU 230 N 0.00 4.17 0.39 0.99 1.43 0.11 -4.56 118.68 121.21 3bdk s LEU 230 Ca 0.00 1.63 -0.17 0.00 -1.03 0.00 0.00 54.13 54.56 3bdk s LEU 230 Cb 0.00 -4.11 -0.09 0.00 0.03 0.00 0.00 46.19 42.02 3bdk s LEU 230 CO 0.00 -0.16 0.84 -2.16 0.23 0.00 0.00 176.35 175.10 3bdk s PRO 231 N -2.53 4.06 -0.00 1.29 0.04 -1.26 -3.74 135.00 132.86 3bdk s PRO 231 Ca 0.53 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.41 3bdk s PRO 231 Cb -0.14 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.09 3bdk s PRO 231 CO 0.19 0.03 -0.00 1.03 0.04 0.00 0.00 177.00 178.29 3bdk s ARG 232 N -3.23 0.02 0.00 4.56 3.00 -1.26 -4.51 118.95 117.53 3bdk s ARG 232 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 55.73 56.30 3bdk s ARG 232 Cb -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 34.95 34.83 3bdk s ARG 232 CO 0.18 0.00 0.00 0.44 0.00 0.00 0.00 175.30 175.92 3bdk n ILE 233 N 3.10 0.00 -3.07 1.52 -5.35 -1.26 -4.85 119.36 109.44 3bdk n ILE 233 Ca -0.12 0.00 -0.44 0.00 -0.27 0.00 0.00 62.75 61.91 3bdk n ILE 233 Cb 0.60 -0.11 -0.00 0.00 -1.74 0.00 0.00 39.64 38.38 3bdk n ILE 233 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3bdk s ILE 234 N -1.77 5.32 0.00 7.28 -1.09 -1.26 -4.60 121.20 125.08 3bdk s ILE 234 Ca 0.00 -2.80 0.00 0.00 -2.23 0.00 0.00 60.65 55.62 3bdk s ILE 234 Cb 0.00 -4.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.08 3bdk s ILE 234 CO 0.00 -1.47 0.00 0.35 -1.23 0.00 0.00 174.94 172.59 3bdk n THR 235 N 4.08 0.00 -3.98 2.92 -2.24 -1.26 0.15 114.28 113.95 3bdk n THR 235 Ca 0.31 -0.16 0.01 0.00 -2.27 0.00 0.00 64.05 61.94 3bdk n THR 235 Cb 0.42 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 3bdk n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bdk n GLY 236 N 0.89 0.39 0.22 3.38 0.00 -1.26 -4.85 105.19 103.95 3bdk n GLY 236 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 3bdk n GLY 236 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3bdk h GLN 237 N 0.00 0.23 -0.05 1.61 5.75 -1.98 -1.20 115.11 119.46 3bdk h GLN 237 Ca -0.03 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 3bdk h GLN 237 Cb 0.15 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.60 3bdk h GLN 237 CO 0.04 0.15 -0.26 0.93 -2.65 0.00 0.00 178.83 177.04 3bdk h GLU 238 N 0.23 -0.36 -0.34 1.69 3.07 -1.98 -2.12 114.58 114.77 3bdk h GLU 238 Ca 0.30 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.25 3bdk h GLU 238 Cb 0.45 0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.38 3bdk h GLU 238 CO -0.41 -0.24 -0.06 0.00 -1.40 0.00 0.00 179.01 176.91 3bdk h ALA 239 N 0.49 0.25 -0.18 3.43 0.00 -1.62 -1.07 119.26 120.56 3bdk h ALA 239 Ca 0.08 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3bdk h ALA 239 Cb 0.48 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 3bdk h ALA 239 CO -0.26 -0.44 -0.54 0.28 0.00 0.00 0.00 179.25 178.28 3bdk h VAL 240 N 0.03 0.01 -0.25 0.00 2.07 -0.97 0.57 116.25 117.70 3bdk h VAL 240 Ca 0.16 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.75 3bdk h VAL 240 Cb 0.24 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 29.95 3bdk h VAL 240 CO -0.33 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 176.75 3bdk h GLU 241 N -0.55 -0.16 -0.90 1.57 5.08 -0.94 0.39 114.58 119.07 3bdk h GLU 241 Ca 0.04 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 3bdk h GLU 241 Cb 0.67 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 3bdk h GLU 241 CO -0.46 -0.11 0.55 -0.09 -1.00 0.00 0.00 179.01 177.90 3bdk h ARG 242 N -0.17 0.94 -0.13 2.33 2.43 -0.61 -1.52 114.38 117.66 3bdk h ARG 242 Ca 0.14 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3bdk h ARG 242 Cb 0.38 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3bdk h ARG 242 CO -0.36 0.62 -0.28 0.35 -1.51 0.00 0.00 179.97 178.80 3bdk h PHE 243 N 0.97 0.52 -0.50 2.20 3.57 0.16 -2.15 116.94 121.70 3bdk h PHE 243 Ca 0.41 -0.19 0.10 0.00 3.53 0.00 0.00 57.97 61.81 3bdk h PHE 243 Cb 0.26 -0.09 -0.10 0.00 2.79 0.00 0.00 35.95 38.81 3bdk h PHE 243 CO -0.03 0.90 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.71 3bdk h LEU 244 N -0.00 -0.60 -0.52 0.59 4.07 -0.85 -2.58 115.31 115.41 3bdk h LEU 244 Ca 0.00 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3bdk h LEU 244 Cb 0.87 0.36 0.00 0.00 1.08 0.00 0.00 40.66 42.97 3bdk h LEU 244 CO 0.06 -0.20 0.00 0.59 -1.08 0.00 0.00 178.44 177.81 3bdk n ASN 245 N -5.39 0.40 0.22 -0.43 3.02 -0.58 -2.25 115.26 110.25 3bdk n ASN 245 Ca 0.04 0.61 0.14 0.00 -0.03 0.00 0.00 54.58 55.35 3bdk n ASN 245 Cb 0.29 -0.69 0.74 0.00 -0.61 0.00 0.00 39.78 39.51 3bdk n ASN 245 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3bdk h LEU 246 N 0.00 0.00 -5.00 3.41 3.38 -1.05 -3.36 115.31 112.69 3bdk h LEU 246 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3bdk h LEU 246 Cb 0.25 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.85 3bdk h LEU 246 CO 0.00 0.00 -0.07 -0.47 0.09 0.00 0.00 178.44 177.99 3bdk s TYR 247 N -3.71 -0.10 -0.95 1.13 6.14 -0.95 -4.73 117.35 114.18 3bdk s TYR 247 Ca -0.03 -0.03 -0.26 0.00 0.64 0.00 0.00 57.07 57.39 3bdk s TYR 247 Cb 0.08 0.02 -0.20 0.00 0.42 0.00 0.00 41.96 42.28 3bdk s TYR 247 CO 0.25 -0.08 1.97 -3.47 0.64 0.00 0.00 175.55 174.86 3bdk n ASP 248 N 2.56 1.99 -3.77 4.32 2.03 -1.21 -4.64 116.55 117.82 3bdk n ASP 248 Ca 0.10 -2.58 -0.13 0.00 0.52 0.00 0.00 54.79 52.70 3bdk n ASP 248 Cb 0.66 -1.52 -0.13 0.00 -0.72 0.00 0.00 41.12 39.41 3bdk n ASP 248 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3bdk s SER 249 N 7.32 -0.16 0.65 1.67 0.15 -1.26 -5.04 113.70 117.04 3bdk s SER 249 Ca 0.73 0.34 0.33 0.00 0.70 0.00 0.00 55.95 58.05 3bdk s SER 249 Cb 0.01 0.28 1.80 0.00 -1.71 0.00 0.00 66.02 66.40 3bdk s SER 249 CO 0.19 -0.11 2.04 -0.33 1.20 0.00 0.00 173.24 176.22 3bdk h GLU 250 N 6.65 0.00 0.00 5.44 5.08 -1.87 0.42 114.58 130.31 3bdk h GLU 250 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3bdk h GLU 250 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3bdk h GLU 250 CO 0.41 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 179.14 3bdk n HIS 251 N -3.09 0.00 -3.48 4.33 8.25 -1.26 -4.45 115.22 115.52 3bdk n HIS 251 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 3bdk n HIS 251 Cb 0.33 -0.42 -0.07 0.00 1.12 0.00 0.00 29.99 30.95 3bdk n HIS 251 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3bdk s ASN 252 N -2.84 5.94 0.25 0.41 2.47 0.15 -0.96 114.94 120.36 3bdk s ASN 252 Ca 0.18 -2.15 0.04 0.00 0.42 0.00 0.00 52.86 51.34 3bdk s ASN 252 Cb 0.18 -2.07 -0.01 0.00 -1.45 0.00 0.00 41.25 37.89 3bdk s ASN 252 CO 0.45 -0.66 0.14 0.61 -3.72 0.00 0.00 177.10 173.92 3bdk n GLY 253 N 4.62 3.40 3.57 1.21 0.00 -0.23 -4.71 105.19 113.06 3bdk n GLY 253 Ca -0.03 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 43.82 3bdk n GLY 253 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3bdk s ILE 254 N -2.74 3.05 -0.43 -0.61 -4.36 -0.97 -1.50 121.20 113.64 3bdk s ILE 254 Ca 0.20 -2.10 -0.17 0.00 -0.26 0.00 0.00 60.65 58.32 3bdk s ILE 254 Cb 0.01 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 41.13 3bdk s ILE 254 CO 0.14 -0.37 0.44 -0.89 0.24 0.00 0.00 174.94 174.50 3bdk s THR 255 N -2.36 5.09 -1.10 8.37 2.01 -0.80 -2.47 115.64 124.37 3bdk s THR 255 Ca 0.30 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.70 3bdk s THR 255 Cb -0.06 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 3bdk s THR 255 CO 0.18 -0.44 1.85 -0.32 -0.69 0.00 0.00 174.62 175.20 3bdk s MET 256 N 2.13 2.87 -0.98 4.92 1.75 -0.95 -4.17 119.30 124.87 3bdk s MET 256 Ca 0.12 -1.04 -0.18 0.00 -1.25 0.00 0.00 55.69 53.34 3bdk s MET 256 Cb -0.17 -5.25 0.13 0.00 2.84 0.00 0.00 34.83 32.38 3bdk s MET 256 CO 0.13 -3.34 1.19 0.00 -0.65 0.00 0.00 175.02 172.35 3bdk h VAL 258 N 5.68 0.46 -0.32 0.00 -1.51 -1.71 -1.30 116.25 117.54 3bdk h VAL 258 Ca 0.19 -0.02 -0.07 0.00 -1.23 0.00 0.00 66.70 65.56 3bdk h VAL 258 Cb 1.00 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.54 3bdk h VAL 258 CO 1.14 0.01 -0.08 1.23 -1.23 0.00 0.00 177.57 178.64 3bdk h GLY 259 N 0.06 0.67 0.78 5.19 0.00 -1.69 0.36 103.07 108.43 3bdk h GLY 259 Ca 0.54 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3bdk h GLY 259 CO -0.05 0.51 0.01 1.76 0.00 0.00 0.00 176.54 178.76 3bdk h SER 260 N 0.39 0.13 -0.66 0.19 0.02 -1.56 -2.67 113.55 109.38 3bdk h SER 260 Ca 0.08 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 3bdk h SER 260 Cb 0.58 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 3bdk h SER 260 CO 0.03 0.36 0.28 1.88 -1.14 0.00 0.00 176.83 178.24 3bdk h TYR 261 N -0.11 1.01 0.00 3.45 0.99 -1.48 -2.99 116.97 117.84 3bdk h TYR 261 Ca 0.02 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3bdk h TYR 261 Cb 0.29 -0.31 0.00 0.00 1.00 0.00 0.00 36.73 37.71 3bdk h TYR 261 CO 0.02 0.77 0.00 0.00 -0.00 0.00 0.00 178.16 178.94 3bdk n ALA 262 N -2.44 2.30 0.27 3.88 0.00 0.12 -2.91 120.51 121.72 3bdk n ALA 262 Ca 0.06 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.53 3bdk n ALA 262 Cb 0.17 -1.44 0.76 0.00 0.00 0.00 0.00 19.45 18.94 3bdk n ALA 262 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3bdk h SER 263 N 0.00 0.00 -3.42 0.00 0.02 -1.32 -3.33 113.55 105.51 3bdk h SER 263 Ca 0.00 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.22 3bdk h SER 263 Cb 0.37 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 62.69 3bdk h SER 263 CO 0.00 0.10 -0.39 -0.62 -1.14 0.00 0.00 176.83 174.78 3bdk s ASP 264 N -6.10 6.10 0.61 3.07 -1.08 -1.15 -4.65 116.67 113.48 3bdk s ASP 264 Ca -0.03 -1.10 0.27 0.00 -0.52 0.00 0.00 52.55 51.16 3bdk s ASP 264 Cb 0.13 -2.16 1.14 0.00 -1.46 0.00 0.00 42.92 40.56 3bdk s ASP 264 CO 0.57 -0.54 1.55 -0.65 0.52 0.00 0.00 175.17 176.62 3bdk h PRO 265 N 8.67 0.00 0.00 4.34 0.11 -1.85 0.13 132.00 143.40 3bdk h PRO 265 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3bdk h PRO 265 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3bdk h PRO 265 CO 0.79 0.00 0.00 1.57 -0.21 0.00 0.00 178.00 180.15 3bdk h LYS 266 N 0.00 0.00 -6.52 1.05 2.10 -1.91 -3.44 116.57 107.85 3bdk h LYS 266 Ca 0.35 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.47 3bdk h LYS 266 Cb 2.13 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.42 3bdk h LYS 266 CO -0.00 0.00 0.11 -0.80 -2.00 0.00 0.00 179.45 176.76 3bdk s ASN 267 N -5.42 7.14 -0.55 7.07 0.01 0.44 -5.05 114.94 118.59 3bdk s ASN 267 Ca 0.03 1.46 0.01 0.00 -0.71 0.00 0.00 52.86 53.65 3bdk s ASN 267 Cb 0.09 -2.43 0.14 0.00 0.41 0.00 0.00 41.25 39.45 3bdk s ASN 267 CO 0.54 0.10 0.32 -0.62 -1.51 0.00 0.00 177.10 175.92 3bdk s ASP 268 N -1.48 4.73 0.42 -1.22 -1.08 -1.26 -4.89 116.67 111.90 3bdk s ASP 268 Ca 0.40 -2.87 0.11 0.00 -0.52 0.00 0.00 52.55 49.66 3bdk s ASP 268 Cb -0.18 -1.73 0.95 0.00 -1.46 0.00 0.00 42.92 40.50 3bdk s ASP 268 CO 0.22 -0.30 2.02 -0.37 0.52 0.00 0.00 175.17 177.26 3bdk h VAL 269 N 5.50 1.00 -0.35 1.11 -1.51 -1.92 0.15 116.25 120.23 3bdk h VAL 269 Ca -0.05 -0.16 -0.01 0.00 -1.23 0.00 0.00 66.70 65.25 3bdk h VAL 269 Cb 0.93 0.49 -0.02 0.00 -2.13 0.00 0.00 31.29 30.56 3bdk h VAL 269 CO 0.69 0.09 0.19 -0.07 -1.23 0.00 0.00 177.57 177.23 3bdk h LEU 270 N 0.47 0.44 -0.41 4.19 3.38 -1.96 0.73 115.31 122.15 3bdk h LEU 270 Ca 0.21 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3bdk h LEU 270 Cb 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3bdk h LEU 270 CO -0.05 0.41 -0.25 0.00 0.09 0.00 0.00 178.44 178.64 3bdk h ALA 271 N 1.05 0.59 -0.67 1.53 0.00 -1.82 -2.00 119.26 117.95 3bdk h ALA 271 Ca 0.12 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3bdk h ALA 271 Cb 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3bdk h ALA 271 CO -0.02 0.59 0.17 0.52 0.00 0.00 0.00 179.25 180.51 3bdk h MET 272 N 0.72 1.06 0.62 0.00 2.86 -0.35 0.94 114.93 120.79 3bdk h MET 272 Ca 0.09 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 3bdk h MET 272 Cb 0.82 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.35 3bdk h MET 272 CO 0.07 0.95 -0.31 1.15 1.06 0.00 0.00 176.91 179.83 3bdk h THR 273 N 0.99 0.38 0.46 2.22 2.02 0.48 -2.61 112.91 116.85 3bdk h THR 273 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 3bdk h THR 273 Cb 0.36 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3bdk h THR 273 CO 0.00 0.00 -0.34 -0.08 0.37 0.00 0.00 175.52 175.47 3bdk h GLU 274 N -0.85 -0.76 -0.93 6.66 4.81 -1.08 -1.95 114.58 120.49 3bdk h GLU 274 Ca -0.08 0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.36 3bdk h GLU 274 Cb 0.65 0.17 -0.16 0.00 0.63 0.00 0.00 28.75 30.04 3bdk h GLU 274 CO 0.13 -0.50 -0.31 0.98 -0.73 0.00 0.00 179.01 178.58 3bdk n TYR 275 N -5.46 0.17 0.15 0.92 9.36 0.30 -0.83 117.16 121.77 3bdk n TYR 275 Ca -0.11 1.15 0.01 0.00 3.32 0.00 0.00 57.90 62.27 3bdk n TYR 275 Cb 0.36 -0.94 0.22 0.00 -0.63 0.00 0.00 39.34 38.36 3bdk n TYR 275 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3bdk h ALA 276 N 1.55 0.97 -0.10 2.98 0.00 -1.12 -2.82 119.26 120.71 3bdk h ALA 276 Ca 0.38 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3bdk h ALA 276 Cb 0.61 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3bdk h ALA 276 CO -0.94 0.66 -0.03 -0.07 0.00 0.00 0.00 179.25 178.88 3bdk h LEU 277 N 0.00 0.20 -2.21 0.00 3.38 -0.20 -0.54 115.31 115.93 3bdk h LEU 277 Ca -0.01 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.64 3bdk h LEU 277 Cb 1.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3bdk h LEU 277 CO 0.07 0.52 0.26 0.11 0.09 0.00 0.00 178.44 179.49 3bdk h LYS 278 N -0.13 0.00 -0.39 1.13 1.57 -0.99 0.33 116.57 118.10 3bdk h LYS 278 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3bdk h LYS 278 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3bdk h LYS 278 CO 0.01 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.43 3bdk n ARG 279 N -3.47 2.24 -3.72 3.15 1.74 -1.13 -4.95 116.66 110.52 3bdk n ARG 279 Ca 0.01 -1.90 -0.22 0.00 -0.77 0.00 0.00 57.85 54.98 3bdk n ARG 279 Cb 0.37 -1.46 0.03 0.00 -1.02 0.00 0.00 32.46 30.37 3bdk n ARG 279 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3bdk n ASN 280 N 1.08 -1.39 -0.01 0.55 5.15 0.12 -4.92 115.26 115.84 3bdk n ASN 280 Ca 0.18 -0.85 0.00 0.00 -0.60 0.00 0.00 54.58 53.31 3bdk n ASN 280 Cb 0.49 -3.91 0.01 0.00 -0.53 0.00 0.00 39.78 35.84 3bdk n ASN 280 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3bdk n ARG 281 N -4.26 2.06 -3.22 1.20 5.12 -0.22 -4.80 116.66 112.53 3bdk n ARG 281 Ca -0.29 -1.27 -0.41 0.00 -1.93 0.00 0.00 57.85 53.95 3bdk n ARG 281 Cb 0.67 -0.88 -0.08 0.00 -1.16 0.00 0.00 32.46 31.02 3bdk n ARG 281 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3bdk s ILE 282 N -0.80 5.00 -0.99 0.55 1.01 -1.25 -2.30 121.20 122.42 3bdk s ILE 282 Ca 0.01 0.41 0.11 0.00 0.00 0.00 0.00 60.65 61.18 3bdk s ILE 282 Cb 0.01 -3.97 0.26 0.00 0.01 0.00 0.00 42.46 38.77 3bdk s ILE 282 CO 0.00 -0.21 1.18 0.59 0.00 0.00 0.00 174.94 176.50 3bdk n ASN 283 N 5.77 2.73 0.00 3.58 5.03 -1.03 -4.92 115.26 126.42 3bdk n ASN 283 Ca -0.04 -1.90 0.00 0.00 0.87 0.00 0.00 54.58 53.51 3bdk n ASN 283 Cb 0.49 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 39.06 3bdk n ASN 283 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3bdk n PHE 284 N 0.52 0.00 -3.72 3.10 -0.00 -1.24 -4.75 117.46 111.38 3bdk n PHE 284 Ca 0.10 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.38 3bdk n PHE 284 Cb 0.40 0.00 -0.17 0.00 -0.00 0.00 0.00 39.48 39.71 3bdk n PHE 284 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.76 175.12 3bdk s MET 285 N -2.00 -0.05 -0.37 -4.13 -1.94 -1.19 -2.25 119.30 107.37 3bdk s MET 285 Ca 0.00 0.31 -0.02 0.00 -1.71 0.00 0.00 55.69 54.26 3bdk s MET 285 Cb 0.00 -0.37 0.09 0.00 2.01 0.00 0.00 34.83 36.55 3bdk s MET 285 CO 0.00 -0.25 0.13 -1.01 -0.01 0.00 0.00 175.02 173.87 3bdk s HIS 286 N 1.68 3.48 -1.13 -0.03 3.76 -1.00 -1.96 115.29 120.09 3bdk s HIS 286 Ca -0.02 -2.23 -0.07 0.00 -0.15 0.00 0.00 55.06 52.60 3bdk s HIS 286 Cb -0.12 -2.82 0.27 0.00 1.11 0.00 0.00 32.58 31.02 3bdk s HIS 286 CO -0.03 -0.91 1.43 -2.37 -0.85 0.00 0.00 174.74 172.01 3bdk n THR 287 N 4.60 4.94 -4.15 1.30 5.66 -0.93 -2.08 114.28 123.62 3bdk n THR 287 Ca -0.06 -5.52 -0.27 0.00 -3.05 0.00 0.00 64.05 55.15 3bdk n THR 287 Cb 0.42 -2.28 -0.07 0.00 -1.55 0.00 0.00 70.33 66.86 3bdk n THR 287 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3bdk s ARG 288 N -1.71 2.60 -0.08 1.09 3.52 -1.26 -4.15 118.95 118.96 3bdk s ARG 288 Ca 0.33 -0.98 0.02 0.00 -0.13 0.00 0.00 55.73 54.96 3bdk s ARG 288 Cb 0.01 -2.49 -0.02 0.00 -1.56 0.00 0.00 34.95 30.89 3bdk s ARG 288 CO 0.04 0.48 -0.12 1.21 -0.81 0.00 0.00 175.30 176.10 3bdk s ASN 289 N -2.89 4.19 0.13 -2.12 3.84 -1.26 -2.86 114.94 113.96 3bdk s ASN 289 Ca 0.28 -0.19 0.03 0.00 0.21 0.00 0.00 52.86 53.19 3bdk s ASN 289 Cb -0.10 -1.15 -0.04 0.00 -0.55 0.00 0.00 41.25 39.40 3bdk s ASN 289 CO 0.20 0.29 -0.07 0.68 -2.79 0.00 0.00 177.10 175.42 3bdk s VAL 290 N -0.42 0.86 0.09 -5.21 -7.23 -1.26 -0.93 120.40 106.30 3bdk s VAL 290 Ca 0.05 -1.99 0.08 0.00 -1.81 0.00 0.00 61.98 58.32 3bdk s VAL 290 Cb -0.12 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 3bdk s VAL 290 CO 0.02 -0.77 -0.19 0.28 -0.31 0.00 0.00 175.10 174.13 3bdk s THR 291 N -3.52 2.73 0.04 5.32 -1.32 0.11 -0.60 115.64 118.39 3bdk s THR 291 Ca 0.15 -1.41 -0.13 0.00 -1.21 0.00 0.00 61.69 59.09 3bdk s THR 291 Cb 0.04 -2.20 0.02 0.00 -1.51 0.00 0.00 72.50 68.85 3bdk s THR 291 CO -0.02 0.20 0.29 0.00 -2.21 0.00 0.00 174.62 172.89 3bdk s ALA 292 N -1.04 -0.66 0.00 11.08 0.00 -1.26 -0.96 121.76 128.93 3bdk s ALA 292 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3bdk s ALA 292 Cb -0.10 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3bdk s ALA 292 CO 0.07 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3bdk n GLY 293 N 0.63 2.91 0.31 0.00 0.00 0.33 -4.92 105.19 104.45 3bdk n GLY 293 Ca -0.19 -1.14 0.21 0.00 0.00 0.00 0.00 46.02 44.89 3bdk n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bdk h ALA 294 N 1.69 1.00 0.00 4.61 0.00 -2.02 -2.82 119.26 121.72 3bdk h ALA 294 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bdk h ALA 294 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bdk h ALA 294 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 176.58 3bdk n TRP 295 N -3.02 0.00 0.00 0.00 4.27 -1.26 -4.92 117.44 112.50 3bdk n TRP 295 Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 3bdk n TRP 295 Cb 0.14 -0.36 0.00 0.00 -1.36 0.00 0.00 31.31 29.73 3bdk n TRP 295 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3bdk n GLY 296 N 1.12 0.30 3.53 -1.67 0.00 -1.07 -1.74 105.19 105.67 3bdk n GLY 296 Ca 0.11 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.32 3bdk n GLY 296 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bdk s PHE 297 N 0.00 -0.29 -0.05 1.61 -0.71 -0.00 -0.51 117.98 118.03 3bdk s PHE 297 Ca 0.00 0.17 -0.02 0.00 -1.04 0.00 0.00 56.93 56.04 3bdk s PHE 297 Cb 0.00 0.54 0.03 0.00 -1.21 0.00 0.00 43.02 42.38 3bdk s PHE 297 CO 0.00 -0.47 0.10 -1.14 -1.34 0.00 0.00 175.22 172.36 3bdk s GLN 298 N -2.96 0.05 0.36 1.99 0.74 -0.13 -1.00 119.66 118.70 3bdk s GLN 298 Ca 0.06 0.28 -0.27 0.00 0.05 0.00 0.00 55.36 55.48 3bdk s GLN 298 Cb -0.01 -0.18 -0.09 0.00 1.10 0.00 0.00 33.01 33.83 3bdk s GLN 298 CO -0.08 -0.15 1.27 -1.21 -0.55 0.00 0.00 175.29 174.57 3bdk s GLU 299 N 1.02 4.22 0.15 1.67 2.02 -0.49 -0.71 118.70 126.58 3bdk s GLU 299 Ca -0.08 2.10 0.01 0.00 0.02 0.00 0.00 54.97 57.02 3bdk s GLU 299 Cb -0.11 -2.93 -0.00 0.00 0.10 0.00 0.00 34.13 31.19 3bdk s GLU 299 CO -0.04 -0.26 0.03 0.25 0.02 0.00 0.00 175.26 175.26 3bdk n THR 300 N 0.52 0.00 -1.39 3.63 -2.24 -0.11 -4.63 114.28 110.07 3bdk n THR 300 Ca 0.02 -0.83 -0.33 0.00 -2.27 0.00 0.00 64.05 60.63 3bdk n THR 300 Cb 0.43 0.25 0.09 0.00 -2.10 0.00 0.00 70.33 69.01 3bdk n THR 300 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bdk s ALA 301 N -2.36 2.14 0.25 6.98 0.00 -1.26 -4.59 121.76 122.92 3bdk s ALA 301 Ca 0.05 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 3bdk s ALA 301 Cb 0.00 -3.39 0.30 0.00 0.00 0.00 0.00 23.12 20.03 3bdk s ALA 301 CO 0.03 -1.82 1.67 0.45 0.00 0.00 0.00 175.76 176.09 3bdk h HIS 302 N -0.58 0.69 -0.89 0.00 -0.00 -1.92 -3.42 115.15 109.03 3bdk h HIS 302 Ca -0.46 -0.16 -0.71 0.00 -0.00 0.00 0.00 60.37 59.04 3bdk h HIS 302 Cb 1.27 -0.16 0.04 0.00 -0.00 0.00 0.00 27.41 28.55 3bdk h HIS 302 CO 0.51 0.81 0.11 -0.11 -0.00 0.00 0.00 177.93 179.25 3bdk n LEU 303 N -4.11 0.11 0.19 2.43 7.94 -1.26 -4.78 117.00 117.53 3bdk n LEU 303 Ca -0.00 1.03 -0.16 0.00 -1.11 0.00 0.00 56.01 55.77 3bdk n LEU 303 Cb 0.43 -0.81 -0.09 0.00 0.53 0.00 0.00 43.42 43.47 3bdk n LEU 303 CO 0.43 -1.59 0.52 0.28 -1.11 0.00 0.00 177.39 175.92 3bdk h SER 304 N 2.86 -1.36 0.00 1.96 0.02 -1.85 -1.90 113.55 113.28 3bdk h SER 304 Ca -0.45 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3bdk h SER 304 Cb 1.27 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.28 3bdk h SER 304 CO 0.61 -0.57 0.14 0.00 -1.14 0.00 0.00 176.83 175.87 3bdk n GLN 305 N -5.24 0.00 0.15 3.45 6.02 -1.26 -0.33 117.38 120.16 3bdk n GLN 305 Ca -0.10 0.35 0.07 0.00 -0.01 0.00 0.00 57.00 57.32 3bdk n GLN 305 Cb 0.40 -1.64 0.06 0.00 1.02 0.00 0.00 30.24 30.08 3bdk n GLN 305 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3bdk h ALA 306 N 1.42 0.75 -3.00 -1.58 0.00 -1.63 -3.48 119.26 111.74 3bdk h ALA 306 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3bdk h ALA 306 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3bdk h ALA 306 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.98 3bdk n GLY 307 N 1.20 5.51 0.35 0.00 0.00 0.55 -4.74 105.19 108.05 3bdk n GLY 307 Ca 0.01 -1.43 0.06 0.00 0.00 0.00 0.00 46.02 44.66 3bdk n GLY 307 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bdk n ASP 308 N 0.00 1.59 -4.65 1.61 9.92 0.23 -4.90 116.55 120.34 3bdk n ASP 308 Ca 0.00 -1.30 -0.35 0.00 -0.53 0.00 0.00 54.79 52.62 3bdk n ASP 308 Cb 0.00 0.26 -0.10 0.00 -0.64 0.00 0.00 41.12 40.64 3bdk n ASP 308 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3bdk s ILE 309 N -1.23 4.45 -0.97 0.53 1.01 -1.26 -5.03 121.20 118.70 3bdk s ILE 309 Ca 0.11 -0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 3bdk s ILE 309 Cb 0.09 -2.92 0.14 0.00 0.01 0.00 0.00 42.46 39.78 3bdk s ILE 309 CO 0.22 0.55 1.16 -0.62 0.00 0.00 0.00 174.94 176.25 3bdk s ASP 310 N -0.37 6.69 0.59 3.58 3.68 -1.26 -4.47 116.67 125.11 3bdk s ASP 310 Ca 0.08 -2.18 0.29 0.00 2.13 0.00 0.00 52.55 52.87 3bdk s ASP 310 Cb -0.12 -2.40 1.74 0.00 -1.45 0.00 0.00 42.92 40.69 3bdk s ASP 310 CO 0.02 -1.01 2.16 0.24 0.13 0.00 0.00 175.17 176.71 3bdk h MET 311 N 8.59 0.00 0.10 4.34 2.86 -1.93 -2.48 114.93 126.42 3bdk h MET 311 Ca 0.18 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3bdk h MET 311 Cb 1.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.66 3bdk h MET 311 CO 1.12 0.00 -0.05 -0.97 1.06 0.00 0.00 176.91 178.07 3bdk h ASN 312 N 0.00 -0.11 -0.73 1.22 -0.73 -1.98 -1.31 115.58 111.93 3bdk h ASN 312 Ca 0.05 -0.46 0.16 0.00 1.87 0.00 0.00 56.30 57.93 3bdk h ASN 312 Cb 0.30 0.03 -0.13 0.00 0.27 0.00 0.00 38.32 38.79 3bdk h ASN 312 CO -0.00 0.46 0.01 0.00 -0.37 0.00 0.00 177.43 177.53 3bdk h ALA 313 N -0.02 0.76 -0.86 1.57 0.00 -1.90 0.24 119.26 119.05 3bdk h ALA 313 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3bdk h ALA 313 Cb 0.57 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3bdk h ALA 313 CO 0.02 -0.42 0.00 0.28 0.00 0.00 0.00 179.25 179.14 3bdk n VAL 314 N -5.33 0.00 -0.35 0.00 0.31 -0.96 -1.58 118.33 110.41 3bdk n VAL 314 Ca 0.13 1.36 0.13 0.00 -0.01 0.00 0.00 64.34 65.95 3bdk n VAL 314 Cb 0.45 -2.19 0.33 0.00 -0.91 0.00 0.00 33.84 31.52 3bdk n VAL 314 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 3bdk h VAL 315 N 0.00 0.67 -0.55 2.52 3.04 -0.92 0.31 116.25 121.33 3bdk h VAL 315 Ca 0.00 -0.25 0.11 0.00 -1.01 0.00 0.00 66.70 65.55 3bdk h VAL 315 Cb 0.00 -0.11 -0.10 0.00 -2.01 0.00 0.00 31.29 29.07 3bdk h VAL 315 CO 0.00 0.13 -0.07 0.50 -1.01 0.00 0.00 177.57 177.12 3bdk h LYS 316 N 0.72 0.05 -0.53 4.17 3.64 -0.40 -0.57 116.57 123.66 3bdk h LYS 316 Ca 0.59 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.95 3bdk h LYS 316 Cb 0.95 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 3bdk h LYS 316 CO -0.40 0.04 0.28 -0.07 -2.27 0.00 0.00 179.45 177.02 3bdk h LEU 317 N 0.06 0.67 -1.40 5.20 3.38 0.63 0.42 115.31 124.26 3bdk h LEU 317 Ca 0.27 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.27 3bdk h LEU 317 Cb 0.43 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3bdk h LEU 317 CO -0.51 0.59 0.53 -0.07 0.09 0.00 0.00 178.44 179.07 3bdk h LEU 318 N 0.71 0.57 0.13 1.67 3.38 -0.93 -0.07 115.31 120.77 3bdk h LEU 318 Ca 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3bdk h LEU 318 Cb 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3bdk h LEU 318 CO -0.03 0.31 -0.06 0.58 0.09 0.00 0.00 178.44 179.32 3bdk h VAL 319 N 0.61 0.00 -1.69 1.22 2.07 0.19 -0.14 116.25 118.52 3bdk h VAL 319 Ca 0.40 -0.18 0.53 0.00 0.82 0.00 0.00 66.70 68.26 3bdk h VAL 319 Cb 0.67 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.34 3bdk h VAL 319 CO -0.16 0.00 1.16 0.47 0.02 0.00 0.00 177.57 179.07 3bdk n ASP 320 N -2.97 0.10 -0.95 0.57 8.00 0.13 0.63 116.55 122.06 3bdk n ASP 320 Ca -0.02 1.17 0.12 0.00 0.71 0.00 0.00 54.79 56.77 3bdk n ASP 320 Cb 0.07 -0.58 0.18 0.00 -0.02 0.00 0.00 41.12 40.78 3bdk n ASP 320 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3bdk n TYR 321 N -4.27 0.15 -2.24 1.24 4.02 -0.06 -4.95 117.16 111.03 3bdk n TYR 321 Ca 0.42 -0.07 -0.21 0.00 -0.01 0.00 0.00 57.90 58.03 3bdk n TYR 321 Cb 1.80 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 41.09 3bdk n TYR 321 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3bdk n ASP 322 N 1.23 -5.82 -4.64 7.72 9.92 0.20 -4.89 116.55 120.28 3bdk n ASP 322 Ca 0.16 0.08 -0.46 0.00 -0.53 0.00 0.00 54.79 54.04 3bdk n ASP 322 Cb 0.57 -4.89 -0.03 0.00 -0.64 0.00 0.00 41.12 36.13 3bdk n ASP 322 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 3bdk n TRP 323 N -3.71 1.85 -4.06 1.24 -0.00 -0.08 -4.14 117.44 108.54 3bdk n TRP 323 Ca -0.24 0.52 -0.32 0.00 -0.00 0.00 0.00 57.50 57.47 3bdk n TRP 323 Cb 0.69 -2.39 -0.16 0.00 -0.00 0.00 0.00 31.31 29.45 3bdk n TRP 323 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 3bdk s GLN 324 N -0.44 2.42 0.00 5.87 -0.21 -1.26 -4.06 119.66 121.98 3bdk s GLN 324 Ca 0.69 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 55.11 3bdk s GLN 324 Cb -0.72 -2.58 0.00 0.00 1.00 0.00 0.00 33.01 30.71 3bdk s GLN 324 CO 0.51 -0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 3bdk n GLY 325 N 4.60 -2.29 3.76 3.09 0.00 -1.22 -4.98 105.19 108.14 3bdk n GLY 325 Ca -0.17 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3bdk n GLY 325 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bdk s SER 326 N -0.54 6.21 0.02 1.61 1.04 -1.26 -2.26 113.70 118.52 3bdk s SER 326 Ca 0.00 0.27 -0.05 0.00 0.48 0.00 0.00 55.95 56.66 3bdk s SER 326 Cb 0.00 -2.07 -0.05 0.00 0.10 0.00 0.00 66.02 64.00 3bdk s SER 326 CO 0.00 0.23 0.26 -0.22 0.98 0.00 0.00 173.24 174.49 3bdk s LEU 327 N 0.04 4.36 -0.09 2.42 0.20 -1.21 -3.19 118.68 121.21 3bdk s LEU 327 Ca 0.09 0.49 -0.02 0.00 0.69 0.00 0.00 54.13 55.38 3bdk s LEU 327 Cb -0.11 -2.75 0.04 0.00 -0.43 0.00 0.00 46.19 42.93 3bdk s LEU 327 CO -0.01 0.23 0.03 -0.60 -0.29 0.00 0.00 176.35 175.71 3bdk s ARG 328 N -1.96 0.34 -0.41 1.98 3.52 -0.83 -1.34 118.95 120.25 3bdk s ARG 328 Ca 0.29 0.11 -0.33 0.00 -0.13 0.00 0.00 55.73 55.68 3bdk s ARG 328 Cb -0.13 -1.06 -0.11 0.00 -1.56 0.00 0.00 34.95 32.09 3bdk s ARG 328 CO 0.19 -0.39 2.27 -0.35 -0.81 0.00 0.00 175.30 176.20 3bdk n PRO 329 N 5.20 1.07 0.00 5.12 -0.04 -1.26 -2.19 135.00 142.90 3bdk n PRO 329 Ca -0.06 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 3bdk n PRO 329 Cb 0.50 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 3bdk n PRO 329 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3bdk n ASP 330 N 10.93 0.00 -4.21 3.54 -0.08 -1.26 -4.85 116.55 120.62 3bdk n ASP 330 Ca 0.42 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 53.31 3bdk n ASP 330 Cb 0.28 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.75 3bdk n ASP 330 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3bdk n HIS 331 N -0.22 -3.28 -4.52 -0.67 8.25 -1.26 -4.78 115.22 108.74 3bdk n HIS 331 Ca 0.00 0.37 -0.25 0.00 -0.26 0.00 0.00 57.72 57.58 3bdk n HIS 331 Cb 0.00 -1.65 -0.11 0.00 1.12 0.00 0.00 29.99 29.36 3bdk n HIS 331 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3bdk s GLY 332 N -1.00 2.17 0.81 -1.41 0.00 -0.29 -4.80 107.32 102.79 3bdk s GLY 332 Ca 0.54 -2.10 -0.12 0.00 0.00 0.00 0.00 44.72 43.04 3bdk s GLY 332 CO 0.69 -1.98 1.13 0.50 0.00 0.00 0.00 173.10 173.45 3bdk s ARG 333 N -3.70 1.82 -0.69 2.90 0.52 -1.26 -4.67 118.95 113.87 3bdk s ARG 333 Ca 0.33 1.44 -0.25 0.00 -0.52 0.00 0.00 55.73 56.73 3bdk s ARG 333 Cb 0.06 -1.83 0.05 0.00 0.52 0.00 0.00 34.95 33.75 3bdk s ARG 333 CO 0.16 -2.02 1.10 0.50 0.02 0.00 0.00 175.30 175.06 3bdk s ARG 334 N -4.56 3.15 0.17 3.54 3.52 0.24 -4.34 118.95 120.68 3bdk s ARG 334 Ca 0.66 -0.56 0.08 0.00 -0.13 0.00 0.00 55.73 55.78 3bdk s ARG 334 Cb -0.22 -4.20 -0.04 0.00 -1.56 0.00 0.00 34.95 28.93 3bdk s ARG 334 CO 0.53 -1.95 -0.16 0.96 -0.81 0.00 0.00 175.30 173.88 3bdk s ILE 335 N 4.77 1.71 -1.08 4.11 -0.00 -1.26 -3.23 121.20 126.22 3bdk s ILE 335 Ca 0.28 -1.98 -0.06 0.00 -0.00 0.00 0.00 60.65 58.88 3bdk s ILE 335 Cb -0.13 -1.86 0.01 0.00 -0.00 0.00 0.00 42.46 40.48 3bdk s ILE 335 CO 0.13 -0.42 0.81 0.79 -0.00 0.00 0.00 174.94 176.24 3bdk n TRP 336 N 0.11 -2.06 -1.25 1.37 8.01 -1.26 -2.99 117.44 119.36 3bdk n TRP 336 Ca -0.12 0.69 -0.09 0.00 -1.31 0.00 0.00 57.50 56.68 3bdk n TRP 336 Cb 0.58 -4.02 -0.04 0.00 -2.01 0.00 0.00 31.31 25.83 3bdk n TRP 336 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bdk n GLY 337 N -1.59 1.00 3.68 6.99 0.00 -1.26 -4.95 105.19 109.05 3bdk n GLY 337 Ca -0.01 -0.28 -0.48 0.00 0.00 0.00 0.00 46.02 45.24 3bdk n GLY 337 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bdk n ASP 338 N -0.27 3.32 -0.03 1.61 -0.08 -1.16 -4.90 116.55 115.05 3bdk n ASP 338 Ca -0.09 1.00 -0.01 0.00 -1.51 0.00 0.00 54.79 54.19 3bdk n ASP 338 Cb 0.39 -1.38 -0.13 0.00 2.34 0.00 0.00 41.12 42.34 3bdk n ASP 338 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bdk n GLN 339 N 5.80 0.66 -0.55 -0.67 6.02 -1.26 -4.88 117.38 122.50 3bdk n GLN 339 Ca 0.21 0.03 -0.23 0.00 -0.01 0.00 0.00 57.00 57.00 3bdk n GLN 339 Cb 0.29 -1.63 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 3bdk n GLN 339 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3bdk n THR 340 N -2.67 0.00 0.56 5.09 -2.24 -1.26 -4.88 114.28 108.88 3bdk n THR 340 Ca -0.17 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.69 3bdk n THR 340 Cb 0.88 -0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.84 3bdk n THR 340 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3bdk n LYS 341 N 2.09 1.70 -1.68 -0.78 4.81 -1.26 -4.67 118.16 118.37 3bdk n LYS 341 Ca 0.16 -0.03 -0.45 0.00 -0.87 0.00 0.00 58.31 57.12 3bdk n LYS 341 Cb -0.02 -1.24 -0.04 0.00 0.02 0.00 0.00 35.03 33.75 3bdk n LYS 341 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 3bdk n THR 342 N -1.50 0.31 0.00 3.15 -1.04 -1.26 -4.91 114.28 109.03 3bdk n THR 342 Ca 0.02 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3bdk n THR 342 Cb 0.27 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 66.91 3bdk n THR 342 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3bdk n PRO 343 N 5.22 0.00 -1.97 -2.82 -0.02 -1.26 -2.07 135.00 132.08 3bdk n PRO 343 Ca 0.19 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.38 3bdk n PRO 343 Cb 0.32 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.83 3bdk n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bdk n GLY 344 N 0.00 6.11 0.37 -1.23 0.00 -1.26 -4.79 105.19 104.39 3bdk n GLY 344 Ca 0.00 -2.60 0.04 0.00 0.00 0.00 0.00 46.02 43.46 3bdk n GLY 344 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bdk n TYR 345 N -0.68 0.18 -0.74 1.61 4.02 -0.88 -1.14 117.16 119.53 3bdk n TYR 345 Ca 0.48 -0.31 -0.33 0.00 -0.01 0.00 0.00 57.90 57.73 3bdk n TYR 345 Cb 0.76 -0.02 0.14 0.00 -0.02 0.00 0.00 39.34 40.20 3bdk n TYR 345 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bdk n GLY 346 N 0.25 -2.33 0.09 2.72 0.00 -1.26 -4.94 105.19 99.73 3bdk n GLY 346 Ca 0.06 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 3bdk n GLY 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bdk h LEU 347 N -1.79 0.21 0.00 0.99 5.85 -1.94 -3.38 115.31 115.25 3bdk h LEU 347 Ca -0.48 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 57.97 3bdk h LEU 347 Cb 1.32 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3bdk h LEU 347 CO 0.36 1.22 0.00 -1.22 -0.34 0.00 0.00 178.44 178.45 3bdk n TYR 348 N -3.38 0.00 0.09 1.25 4.01 -1.26 -0.98 117.16 116.88 3bdk n TYR 348 Ca -0.09 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.71 3bdk n TYR 348 Cb 1.00 -0.50 0.51 0.00 -0.31 0.00 0.00 39.34 40.05 3bdk n TYR 348 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 3bdk h ASP 349 N 0.00 0.29 0.01 7.72 3.58 -1.82 0.89 116.42 127.08 3bdk h ASP 349 Ca 0.00 -0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.46 3bdk h ASP 349 Cb 0.00 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 3bdk h ASP 349 CO 0.00 0.21 -0.09 -0.09 -2.88 0.00 0.00 179.24 176.39 3bdk h ARG 350 N 0.34 -0.15 -0.28 0.28 2.43 -1.73 -0.21 114.38 115.05 3bdk h ARG 350 Ca 0.10 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3bdk h ARG 350 Cb 0.01 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3bdk h ARG 350 CO -0.02 -0.10 0.14 0.00 -1.51 0.00 0.00 179.97 178.47 3bdk h ALA 351 N 0.81 0.37 -0.98 2.80 0.00 0.50 -1.72 119.26 121.04 3bdk h ALA 351 Ca 0.03 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.04 3bdk h ALA 351 Cb 0.20 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 3bdk h ALA 351 CO -0.08 -0.07 0.61 -0.07 0.00 0.00 0.00 179.25 179.64 3bdk h LEU 352 N 0.33 0.66 0.36 0.00 3.38 -0.70 0.87 115.31 120.22 3bdk h LEU 352 Ca 0.10 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3bdk h LEU 352 Cb 0.12 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3bdk h LEU 352 CO -0.01 0.25 -0.19 1.23 0.09 0.00 0.00 178.44 179.80 3bdk h GLY 353 N 0.65 -0.53 0.31 0.83 0.00 -0.58 -2.64 103.07 101.10 3bdk h GLY 353 Ca 0.54 0.21 0.05 0.00 0.00 0.00 0.00 47.33 48.13 3bdk h GLY 353 CO -0.31 -0.20 -0.21 0.00 0.00 0.00 0.00 176.54 175.83 3bdk h ALA 354 N 0.13 -0.14 -0.03 3.60 0.00 0.04 0.23 119.26 123.09 3bdk h ALA 354 Ca -0.05 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3bdk h ALA 354 Cb 0.40 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3bdk h ALA 354 CO 0.07 -0.66 -0.18 1.79 0.00 0.00 0.00 179.25 180.27 3bdk h THR 355 N -0.25 1.15 -0.55 0.00 1.35 -1.39 0.15 112.91 113.37 3bdk h THR 355 Ca 0.11 -0.70 -0.05 0.00 -0.55 0.00 0.00 66.41 65.22 3bdk h THR 355 Cb 0.41 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.14 3bdk h THR 355 CO -0.31 0.20 0.12 0.22 -0.25 0.00 0.00 175.52 175.51 3bdk h TYR 356 N 0.04 0.87 -0.15 4.73 3.20 -0.87 -1.98 116.97 122.82 3bdk h TYR 356 Ca 0.01 -0.09 -0.19 0.00 3.14 0.00 0.00 58.73 61.60 3bdk h TYR 356 Cb 0.35 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3bdk h TYR 356 CO 0.00 0.74 -0.70 0.74 -1.64 0.00 0.00 178.16 177.30 3bdk h PHE 357 N 0.81 0.83 -0.76 -3.82 0.04 0.11 -0.93 116.94 113.21 3bdk h PHE 357 Ca 0.18 -0.34 0.18 0.00 2.80 0.00 0.00 57.97 60.78 3bdk h PHE 357 Cb 0.31 -0.14 -0.13 0.00 2.20 0.00 0.00 35.95 38.20 3bdk h PHE 357 CO 0.02 1.13 0.08 -0.91 -0.60 0.00 0.00 178.31 178.03 3bdk h ASN 358 N 0.44 -0.21 -0.13 2.17 -0.26 -0.67 0.30 115.58 117.22 3bdk h ASN 358 Ca -0.03 0.18 -0.17 0.00 -0.56 0.00 0.00 56.30 55.72 3bdk h ASN 358 Cb 1.29 0.30 -0.00 0.00 -1.06 0.00 0.00 38.32 38.84 3bdk h ASN 358 CO 0.13 -0.14 -0.55 1.23 -1.06 0.00 0.00 177.43 177.04 3bdk h GLY 359 N 0.15 0.79 0.81 2.83 0.00 -1.06 -1.34 103.07 105.26 3bdk h GLY 359 Ca 0.43 -0.92 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3bdk h GLY 359 CO -0.63 0.82 0.00 1.41 0.00 0.00 0.00 176.54 178.15 3bdk h LEU 360 N 0.55 0.32 0.00 3.11 3.38 -0.70 -2.49 115.31 119.49 3bdk h LEU 360 Ca 0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3bdk h LEU 360 Cb 1.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3bdk h LEU 360 CO 0.11 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.19 3bdk n TYR 361 N -4.71 0.00 -0.34 1.13 -0.00 0.10 -1.68 117.16 111.67 3bdk n TYR 361 Ca -0.05 0.00 0.04 0.00 -0.00 0.00 0.00 57.90 57.89 3bdk n TYR 361 Cb 0.22 -0.42 0.11 0.00 -0.00 0.00 0.00 39.34 39.25 3bdk n TYR 361 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.86 174.95 3bdk n GLU 362 N -1.96 -0.11 -0.06 2.98 2.13 -0.52 -0.60 120.64 122.49 3bdk n GLU 362 Ca 0.00 1.42 -0.10 0.00 0.66 0.00 0.00 57.16 59.14 3bdk n GLU 362 Cb 0.00 -2.12 -0.04 0.00 0.27 0.00 0.00 31.44 29.55 3bdk n GLU 362 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3bdk h ALA 363 N 1.69 0.28 -0.37 4.31 0.00 -1.34 -2.11 119.26 121.73 3bdk h ALA 363 Ca 0.41 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 3bdk h ALA 363 Cb 0.64 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3bdk h ALA 363 CO -0.94 -0.13 -0.27 -0.91 0.00 0.00 0.00 179.25 177.00 3bdk h ASN 364 N 0.21 0.79 0.07 0.00 2.35 -0.21 -1.48 115.58 117.31 3bdk h ASN 364 Ca 0.07 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3bdk h ASN 364 Cb 0.16 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3bdk h ASN 364 CO -0.01 1.02 -0.24 0.24 -1.65 0.00 0.00 177.43 176.79 3bdk h MET 365 N 0.66 -0.34 -0.77 0.81 2.86 -0.70 -0.73 114.93 116.72 3bdk h MET 365 Ca 0.08 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 3bdk h MET 365 Cb 0.80 0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.48 3bdk h MET 365 CO 0.07 -0.23 0.50 0.00 1.06 0.00 0.00 176.91 178.31 3bdk h ARG 366 N -0.36 0.59 -0.17 1.72 2.47 -1.29 0.19 114.38 117.53 3bdk h ARG 366 Ca -0.00 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 3bdk h ARG 366 Cb 0.35 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.53 3bdk h ARG 366 CO -0.13 0.39 -0.19 0.00 0.56 0.00 0.00 179.97 180.60 3bdk h ALA 367 N 1.63 1.36 0.47 0.04 0.00 -1.02 -2.77 119.26 118.97 3bdk h ALA 367 Ca 0.36 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3bdk h ALA 367 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3bdk h ALA 367 CO -0.13 0.44 -0.22 0.00 0.00 0.00 0.00 179.25 179.33 3bdk h ALA 368 N 1.53 -0.63 0.00 0.00 0.00 0.88 -3.48 119.26 117.57 3bdk h ALA 368 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3bdk h ALA 368 Cb 0.50 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3bdk h ALA 368 CO 0.03 -0.68 0.00 0.41 0.00 0.00 0.00 179.25 179.01 3bdk n GLY 369 N -0.39 0.77 3.75 0.00 0.00 -0.52 -5.12 105.19 103.68 3bdk n GLY 369 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 3bdk n GLY 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bdk s LYS 370 N 0.00 0.95 -0.20 1.61 1.02 -1.06 -4.90 119.74 117.16 3bdk s LYS 370 Ca 0.00 0.37 0.01 0.00 0.02 0.00 0.00 55.97 56.38 3bdk s LYS 370 Cb 0.00 -1.81 0.04 0.00 -0.52 0.00 0.00 37.83 35.54 3bdk s LYS 370 CO 0.00 -2.35 -0.14 0.95 -0.92 0.00 0.00 175.35 172.89 3bdk s THR 371 N -3.18 1.91 0.84 2.17 -4.23 -1.26 -3.30 115.64 108.59 3bdk s THR 371 Ca 0.64 -1.08 -0.14 0.00 -1.18 0.00 0.00 61.69 59.93 3bdk s THR 371 Cb -0.16 -1.87 0.22 0.00 1.34 0.00 0.00 72.50 72.03 3bdk s THR 371 CO 0.55 0.29 0.52 -0.81 -0.54 0.00 0.00 174.62 174.63 3bdk n PRO 372 N 4.61 -3.54 -3.63 3.99 -0.04 -1.26 -5.06 135.00 130.08 3bdk n PRO 372 Ca -0.17 -0.87 -0.05 0.00 -0.04 0.00 0.00 63.50 62.36 3bdk n PRO 372 Cb 0.47 -1.09 -0.06 0.00 -0.04 0.00 0.00 33.50 32.78 3bdk n PRO 372 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3bdk s ASP 373 N -2.71 -0.20 0.00 3.54 2.15 -1.26 -5.14 116.67 113.05 3bdk s ASP 373 Ca 0.39 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.69 3bdk s ASP 373 Cb -0.07 0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.85 3bdk s ASP 373 CO 0.33 -0.11 0.00 0.49 -0.17 0.00 0.00 175.17 175.70 3bdk n PHE 374 N 1.29 0.00 0.59 -5.34 3.72 -1.26 -4.91 117.46 111.55 3bdk n PHE 374 Ca -0.08 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.32 3bdk n PHE 374 Cb 0.57 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.14 3bdk n PHE 374 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bdk n GLY 375 N 1.72 -0.29 3.63 1.37 0.00 -1.24 -4.83 105.19 105.53 3bdk n GLY 375 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3bdk n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bdk s ILE 376 N -2.00 3.97 0.00 -0.61 1.01 -1.26 -4.92 121.20 117.39 3bdk s ILE 376 Ca 0.02 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.75 3bdk s ILE 376 Cb 0.01 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3bdk s ILE 376 CO 0.01 -0.45 0.00 0.29 0.00 0.00 0.00 174.94 174.79 3bdk n LYS 377 N 7.52 0.00 -3.77 2.79 4.76 -1.26 -5.01 118.16 123.19 3bdk n LYS 377 Ca 0.16 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.24 3bdk n LYS 377 Cb 0.46 -0.08 -0.11 0.00 -1.84 0.00 0.00 35.03 33.46 3bdk n LYS 377 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bdk s ALA 378 N -4.15 3.39 0.51 7.82 0.00 -1.26 -4.98 121.76 123.09 3bdk s ALA 378 Ca 0.00 -0.98 0.26 0.00 0.00 0.00 0.00 51.96 51.25 3bdk s ALA 378 Cb 0.00 -2.17 1.37 0.00 0.00 0.00 0.00 23.12 22.32 3bdk s ALA 378 CO 0.00 -0.27 1.93 0.87 0.00 0.00 0.00 175.76 178.29 3bdk h LYS 379 N 7.73 0.07 -3.45 0.00 1.57 -2.02 -3.44 116.57 117.03 3bdk h LYS 379 Ca -0.37 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.32 3bdk h LYS 379 Cb 1.18 -0.02 -0.16 0.00 0.08 0.00 0.00 32.23 33.31 3bdk h LYS 379 CO 0.62 0.05 -0.26 -0.08 -0.57 0.00 0.00 179.45 179.20 3bdk s THR 380 N -5.07 0.10 -2.00 -0.16 -1.32 -1.26 -5.26 115.64 100.67 3bdk s THR 380 Ca -0.06 -0.79 0.30 0.00 -1.21 0.00 0.00 61.69 59.93 3bdk s THR 380 Cb 0.21 -1.06 0.84 0.00 -1.51 0.00 0.00 72.50 70.98 3bdk s THR 380 CO 0.76 -0.44 2.10 0.52 -2.21 0.00 0.00 174.62 175.35