#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fck n PHE 84 N 0.00 0.00 -3.90 4.31 0.99 -1.26 -4.90 117.46 112.70 3fck n PHE 84 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.10 3fck n PHE 84 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 38.34 3fck n PHE 84 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 3fck s PHE 85 N -1.80 3.07 0.29 1.38 5.36 -1.26 -4.55 117.98 120.46 3fck s PHE 85 Ca 0.17 -1.28 -0.30 0.00 -0.96 0.00 0.00 56.93 54.56 3fck s PHE 85 Cb 0.14 -2.12 -0.12 0.00 -0.34 0.00 0.00 43.02 40.58 3fck s PHE 85 CO 0.35 -0.65 1.44 0.41 -1.46 0.00 0.00 175.22 175.30 3fck n GLY 86 N 4.75 0.92 0.28 13.12 0.00 -1.25 -4.77 105.19 118.23 3fck n GLY 86 Ca -0.16 0.43 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 3fck n GLY 86 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fck h GLU 87 N 3.92 0.90 -0.17 1.61 4.39 -1.98 0.35 114.58 123.60 3fck h GLU 87 Ca -0.46 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.11 3fck h GLU 87 Cb 1.26 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 3fck h GLU 87 CO 0.73 0.60 -0.24 0.66 -1.16 0.00 0.00 179.01 179.60 3fck h SER 88 N 0.93 0.30 -0.05 1.42 4.64 -1.91 -0.23 113.55 118.66 3fck h SER 88 Ca 0.27 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.37 3fck h SER 88 Cb -0.05 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3fck h SER 88 CO -0.08 0.55 -0.50 -0.50 -0.87 0.00 0.00 176.83 175.43 3fck h TRP 89 N 0.28 0.59 -0.67 4.77 4.06 -1.74 -3.25 115.95 119.99 3fck h TRP 89 Ca 0.05 -0.29 0.07 0.00 2.06 0.00 0.00 58.89 60.77 3fck h TRP 89 Cb 0.57 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 28.59 3fck h TRP 89 CO 0.01 1.08 0.36 -0.22 -3.56 0.00 0.00 178.44 176.11 3fck h LYS 90 N -0.06 0.63 -0.84 0.49 3.64 -0.62 -0.04 116.57 119.77 3fck h LYS 90 Ca -0.05 -0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.45 3fck h LYS 90 Cb 1.18 -0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.76 3fck h LYS 90 CO 0.10 0.42 0.42 -0.22 -2.27 0.00 0.00 179.45 177.90 3fck h LYS 91 N 0.65 0.57 0.00 1.90 3.64 -1.09 -1.09 116.57 121.15 3fck h LYS 91 Ca 0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3fck h LYS 91 Cb 0.23 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3fck h LYS 91 CO -0.20 0.38 -1.47 0.72 -2.27 0.00 0.00 179.45 176.61 3fck n HIS 92 N -4.89 0.36 0.48 1.91 8.25 -0.82 -4.39 115.22 116.12 3fck n HIS 92 Ca 0.17 0.11 0.07 0.00 -0.26 0.00 0.00 57.72 57.80 3fck n HIS 92 Cb 0.45 -0.62 -0.09 0.00 1.12 0.00 0.00 29.99 30.85 3fck n HIS 92 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fck n LEU 93 N -2.32 0.48 0.16 2.41 4.77 -0.09 -4.60 117.00 117.80 3fck n LEU 93 Ca -0.01 -0.37 0.11 0.00 -0.03 0.00 0.00 56.01 55.71 3fck n LEU 93 Cb 0.53 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.19 3fck n LEU 93 CO 0.43 0.12 0.84 -1.54 -1.33 0.00 0.00 177.39 175.91 3fck n SER 94 N -1.50 0.61 0.31 -1.43 3.41 -0.42 -1.05 113.62 113.56 3fck n SER 94 Ca 0.01 0.74 0.19 0.00 -0.26 0.00 0.00 58.87 59.55 3fck n SER 94 Cb 0.25 -0.83 1.06 0.00 -0.26 0.00 0.00 64.21 64.43 3fck n SER 94 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3fck h GLY 95 N 0.75 0.00 2.00 5.00 0.00 -1.85 -1.60 103.07 107.37 3fck h GLY 95 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 3fck h GLY 95 CO 0.00 0.00 -0.71 0.83 0.00 0.00 0.00 176.54 176.66 3fck h GLU 96 N 0.00 0.00 -0.46 4.80 4.39 -1.45 -3.40 114.58 118.45 3fck h GLU 96 Ca 0.01 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 3fck h GLU 96 Cb 0.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3fck h GLU 96 CO -0.00 0.71 0.02 0.74 -1.16 0.00 0.00 179.01 179.32 3fck h PHE 97 N 0.00 0.78 -0.01 4.33 0.05 -1.45 -2.03 116.94 118.61 3fck h PHE 97 Ca -0.01 -0.10 0.00 0.00 3.82 0.00 0.00 57.97 61.69 3fck h PHE 97 Cb 1.46 -0.22 0.00 0.00 2.00 0.00 0.00 35.95 39.19 3fck h PHE 97 CO 0.00 0.72 -0.12 0.41 -0.18 0.00 0.00 178.31 179.14 3fck n GLY 98 N -0.73 -0.78 3.77 -1.45 0.00 -1.26 -4.13 105.19 100.61 3fck n GLY 98 Ca 0.03 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 3fck n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fck s LYS 99 N -2.40 3.99 0.25 1.61 1.02 -0.76 -4.86 119.74 118.59 3fck s LYS 99 Ca 0.30 1.94 -0.05 0.00 0.02 0.00 0.00 55.97 58.18 3fck s LYS 99 Cb 0.20 -2.68 0.47 0.00 -0.52 0.00 0.00 37.83 35.30 3fck s LYS 99 CO 0.46 -0.40 1.67 -1.35 -0.92 0.00 0.00 175.35 174.80 3fck h PRO 100 N 2.60 0.20 -0.53 -1.68 0.11 -1.91 -0.20 132.00 130.59 3fck h PRO 100 Ca -0.49 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.63 3fck h PRO 100 Cb 1.24 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3fck h PRO 100 CO 0.62 0.13 0.35 0.10 -0.21 0.00 0.00 178.00 179.00 3fck h TYR 101 N 0.21 0.62 -0.05 0.65 -0.00 -1.92 -1.76 116.97 114.72 3fck h TYR 101 Ca 0.42 0.01 -0.08 0.00 -0.00 0.00 0.00 58.73 59.09 3fck h TYR 101 Cb 0.74 -0.21 0.00 0.00 -0.00 0.00 0.00 36.73 37.27 3fck h TYR 101 CO -0.31 0.37 -0.29 0.35 -0.00 0.00 0.00 178.16 178.29 3fck h PHE 102 N 0.65 0.38 -0.61 0.10 3.57 -1.29 -0.57 116.94 119.17 3fck h PHE 102 Ca 0.21 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3fck h PHE 102 Cb 0.02 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 3fck h PHE 102 CO -0.00 0.91 0.37 0.82 -2.23 0.00 0.00 178.31 178.19 3fck h ILE 103 N -0.27 1.07 -0.40 1.41 2.04 -1.32 -0.39 117.51 119.66 3fck h ILE 103 Ca -0.02 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.60 3fck h ILE 103 Cb 0.96 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3fck h ILE 103 CO 0.06 0.13 0.25 0.50 0.00 0.00 0.00 178.15 179.09 3fck h LYS 104 N 0.73 0.49 -0.35 2.37 3.64 -1.32 -1.72 116.57 120.41 3fck h LYS 104 Ca 0.24 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 3fck h LYS 104 Cb 0.02 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3fck h LYS 104 CO -0.10 0.32 0.14 1.25 -2.27 0.00 0.00 179.45 178.79 3fck h LEU 105 N 0.50 0.17 -0.81 5.20 5.85 -0.57 -0.33 115.31 125.32 3fck h LEU 105 Ca 0.15 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3fck h LEU 105 Cb -0.02 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3fck h LEU 105 CO -0.05 0.14 0.52 0.24 -0.34 0.00 0.00 178.44 178.94 3fck h MET 106 N 0.30 0.97 -0.54 1.25 2.86 -0.78 -1.30 114.93 117.69 3fck h MET 106 Ca 0.15 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3fck h MET 106 Cb 0.11 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3fck h MET 106 CO -0.14 0.64 0.20 0.78 1.06 0.00 0.00 176.91 179.45 3fck h GLY 107 N 1.00 0.89 0.86 8.32 0.00 -0.88 -1.75 103.07 111.50 3fck h GLY 107 Ca 0.33 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.17 3fck h GLY 107 CO -0.12 0.47 -0.05 -2.75 0.00 0.00 0.00 176.54 174.08 3fck h PHE 108 N 0.74 -0.13 -0.68 5.60 3.57 -0.54 -1.12 116.94 124.38 3fck h PHE 108 Ca 0.18 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3fck h PHE 108 Cb 0.23 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3fck h PHE 108 CO 0.01 -0.08 0.26 0.28 -2.23 0.00 0.00 178.31 176.54 3fck h VAL 109 N -0.09 1.25 -0.64 1.41 2.07 -1.21 -0.94 116.25 118.10 3fck h VAL 109 Ca 0.02 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3fck h VAL 109 Cb 0.12 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3fck h VAL 109 CO -0.06 0.31 0.34 0.00 0.02 0.00 0.00 177.57 178.19 3fck h ALA 110 N 1.12 0.82 -0.50 1.67 0.00 -1.17 -0.52 119.26 120.67 3fck h ALA 110 Ca 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3fck h ALA 110 Cb 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3fck h ALA 110 CO -0.02 0.34 0.12 1.49 0.00 0.00 0.00 179.25 181.18 3fck h GLU 111 N 0.87 0.80 -0.69 0.00 4.57 -1.02 -2.79 114.58 116.32 3fck h GLU 111 Ca 0.22 -0.19 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 3fck h GLU 111 Cb 0.05 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 3fck h GLU 111 CO -0.04 0.77 0.43 0.93 -1.18 0.00 0.00 179.01 179.93 3fck h GLU 112 N 0.68 0.81 0.00 1.92 4.39 -0.78 -1.97 114.58 119.64 3fck h GLU 112 Ca 0.16 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3fck h GLU 112 Cb 0.34 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3fck h GLU 112 CO 0.00 0.54 0.00 0.00 -1.16 0.00 0.00 179.01 178.39 3fck h ARG 113 N 0.84 0.00 0.00 2.33 3.08 -0.92 0.17 114.38 119.88 3fck h ARG 113 Ca 0.28 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.16 3fck h ARG 113 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3fck h ARG 113 CO -0.12 0.00 -0.83 0.87 -1.07 0.00 0.00 179.97 178.83 3fck h LYS 114 N 0.00 0.00 0.00 0.04 1.57 -1.09 -3.37 116.57 113.72 3fck h LYS 114 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fck h LYS 114 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3fck h LYS 114 CO 0.00 0.83 -1.30 0.72 -0.57 0.00 0.00 179.45 179.13 3fck n HIS 115 N -3.52 0.00 -4.18 -1.35 8.25 -0.91 -5.06 115.22 108.46 3fck n HIS 115 Ca -0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 3fck n HIS 115 Cb 0.80 -0.18 -0.10 0.00 1.12 0.00 0.00 29.99 31.63 3fck n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3fck s TYR 116 N -2.54 0.94 -0.15 4.41 2.02 0.56 -5.12 117.35 117.48 3fck s TYR 116 Ca -0.03 -1.09 -0.27 0.00 -0.37 0.00 0.00 57.07 55.31 3fck s TYR 116 Cb 0.06 -0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 41.06 3fck s TYR 116 CO 0.37 -0.34 0.90 0.99 -1.57 0.00 0.00 175.55 175.90 3fck s THR 117 N -3.84 4.84 -0.09 -0.71 2.01 -1.26 -4.31 115.64 112.29 3fck s THR 117 Ca 0.20 1.78 0.03 0.00 0.31 0.00 0.00 61.69 64.02 3fck s THR 117 Cb 0.07 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 3fck s THR 117 CO 0.00 0.01 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.06 3fck s VAL 118 N 2.13 2.57 0.11 3.82 1.01 -1.26 -0.43 120.40 128.36 3fck s VAL 118 Ca 0.42 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3fck s VAL 118 Cb -0.17 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3fck s VAL 118 CO 0.14 0.56 -0.07 -0.31 0.00 0.00 0.00 175.10 175.42 3fck s TYR 119 N -0.01 2.81 1.06 5.22 2.02 0.23 -4.15 117.35 124.52 3fck s TYR 119 Ca -0.06 -0.13 -0.16 0.00 -0.37 0.00 0.00 57.07 56.35 3fck s TYR 119 Cb -0.15 -1.45 0.22 0.00 -0.40 0.00 0.00 41.96 40.19 3fck s TYR 119 CO 0.05 0.45 1.15 -1.25 -1.57 0.00 0.00 175.55 174.38 3fck s PRO 120 N -2.32 -0.10 0.75 -1.71 0.04 -1.26 -0.80 135.00 129.61 3fck s PRO 120 Ca 0.23 0.06 -0.15 0.00 0.04 0.00 0.00 61.00 61.17 3fck s PRO 120 Cb -0.11 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.73 3fck s PRO 120 CO 0.15 -2.99 0.89 -2.30 0.04 0.00 0.00 177.00 172.80 3fck n PRO 121 N -4.27 0.35 -0.29 0.56 -0.02 -1.26 -4.73 135.00 125.33 3fck n PRO 121 Ca 0.10 0.18 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 3fck n PRO 121 Cb 0.59 -2.16 0.28 0.00 -0.02 0.00 0.00 33.50 32.19 3fck n PRO 121 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3fck h PRO 122 N -0.50 0.33 0.00 0.52 0.11 -1.99 -0.53 132.00 129.94 3fck h PRO 122 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fck h PRO 122 Cb 1.33 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3fck h PRO 122 CO 0.45 0.22 0.00 -2.39 -0.21 0.00 0.00 178.00 176.07 3fck n HIS 123 N -5.10 0.00 -0.03 0.65 1.44 -1.26 -2.99 115.22 107.93 3fck n HIS 123 Ca 0.21 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 3fck n HIS 123 Cb 0.63 -0.37 0.00 0.00 0.12 0.00 0.00 29.99 30.37 3fck n HIS 123 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3fck n GLN 124 N -1.37 2.38 0.01 -1.40 6.02 -0.22 -4.63 117.38 118.17 3fck n GLN 124 Ca 0.06 -1.33 0.02 0.00 -0.01 0.00 0.00 57.00 55.74 3fck n GLN 124 Cb 0.16 -0.99 0.35 0.00 1.02 0.00 0.00 30.24 30.78 3fck n GLN 124 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3fck h VAL 125 N 0.08 1.16 -0.36 5.09 2.07 -1.42 -2.99 116.25 119.88 3fck h VAL 125 Ca 0.00 -0.58 -0.24 0.00 0.82 0.00 0.00 66.70 66.70 3fck h VAL 125 Cb 0.45 0.83 -0.16 0.00 -1.52 0.00 0.00 31.29 30.88 3fck h VAL 125 CO 0.00 0.21 -0.36 0.49 0.02 0.00 0.00 177.57 177.93 3fck n PHE 126 N -4.35 1.23 -0.04 1.57 3.01 -1.26 -4.73 117.46 112.89 3fck n PHE 126 Ca 0.02 -1.80 0.11 0.00 1.01 0.00 0.00 57.45 56.79 3fck n PHE 126 Cb 0.18 -0.43 0.51 0.00 -0.01 0.00 0.00 39.48 39.74 3fck n PHE 126 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3fck h THR 127 N 1.28 0.92 0.00 4.37 2.02 -1.72 -0.60 112.91 119.20 3fck h THR 127 Ca 0.20 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3fck h THR 127 Cb 1.36 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3fck h THR 127 CO 0.41 0.07 0.00 4.11 0.37 0.00 0.00 175.52 180.48 3fck h TRP 128 N 0.37 0.00 -0.01 3.16 5.08 -1.83 0.59 115.95 123.31 3fck h TRP 128 Ca 0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.21 3fck h TRP 128 Cb 0.44 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.60 3fck h TRP 128 CO -0.00 0.00 -0.39 0.25 -1.28 0.00 0.00 178.44 177.02 3fck n THR 129 N -2.57 0.00 0.40 0.12 -2.24 -0.23 -4.42 114.28 105.33 3fck n THR 129 Ca -0.01 -0.14 0.09 0.00 -2.27 0.00 0.00 64.05 61.71 3fck n THR 129 Cb 0.09 0.66 -0.12 0.00 -2.10 0.00 0.00 70.33 68.85 3fck n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fck n GLN 130 N -0.62 0.79 -0.01 -0.78 1.13 0.19 -3.80 117.38 114.28 3fck n GLN 130 Ca 0.10 -0.09 -0.06 0.00 -1.94 0.00 0.00 57.00 55.01 3fck n GLN 130 Cb 0.38 -1.40 -0.13 0.00 0.11 0.00 0.00 30.24 29.20 3fck n GLN 130 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3fck n MET 131 N -1.81 0.63 -3.68 -1.09 2.81 -1.20 -4.95 117.12 107.85 3fck n MET 131 Ca -0.00 0.23 -0.11 0.00 -1.81 0.00 0.00 57.70 56.01 3fck n MET 131 Cb 0.39 -1.76 -0.05 0.00 -0.71 0.00 0.00 33.22 31.08 3fck n MET 131 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fck s ASP 133 N -2.59 6.31 0.44 0.00 -1.08 -1.26 -4.89 116.67 113.60 3fck s ASP 133 Ca 0.01 2.62 0.16 0.00 -0.52 0.00 0.00 52.55 54.82 3fck s ASP 133 Cb 0.02 -2.63 1.09 0.00 -1.46 0.00 0.00 42.92 39.93 3fck s ASP 133 CO -0.09 -0.85 1.95 -0.29 0.52 0.00 0.00 175.17 176.40 3fck h ILE 134 N 2.42 0.81 0.00 4.11 2.10 -1.92 0.36 117.51 125.39 3fck h ILE 134 Ca -0.50 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.32 3fck h ILE 134 Cb 1.25 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 3fck h ILE 134 CO 0.62 0.07 0.00 0.07 -1.08 0.00 0.00 178.15 177.83 3fck h LYS 135 N 0.36 0.00 -0.45 2.19 2.10 -1.93 -3.01 116.57 115.83 3fck h LYS 135 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 3fck h LYS 135 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 3fck h LYS 135 CO -0.09 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.11 3fck n ASP 136 N -2.60 3.47 -4.73 7.07 10.43 0.11 -4.95 116.55 125.35 3fck n ASP 136 Ca 0.01 -1.97 -0.42 0.00 2.57 0.00 0.00 54.79 54.98 3fck n ASP 136 Cb 0.22 -0.29 -0.03 0.00 1.84 0.00 0.00 41.12 42.86 3fck n ASP 136 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3fck s VAL 137 N -1.29 2.66 0.00 2.53 1.01 -1.14 -4.31 120.40 119.85 3fck s VAL 137 Ca 0.39 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3fck s VAL 137 Cb 0.22 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.27 3fck s VAL 137 CO 0.30 0.06 0.00 0.29 0.00 0.00 0.00 175.10 175.75 3fck n LYS 138 N 3.02 2.16 -4.13 2.72 5.02 0.11 -4.96 118.16 122.10 3fck n LYS 138 Ca 0.10 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.24 3fck n LYS 138 Cb 0.40 -0.99 -0.13 0.00 -0.02 0.00 0.00 35.03 34.28 3fck n LYS 138 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fck s VAL 139 N -1.99 0.48 -0.14 -0.18 1.01 -0.81 -1.94 120.40 116.84 3fck s VAL 139 Ca 0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3fck s VAL 139 Cb 0.00 -0.47 0.03 0.00 0.00 0.00 0.00 36.38 35.94 3fck s VAL 139 CO 0.00 -0.07 -0.10 -0.69 0.00 0.00 0.00 175.10 174.24 3fck s VAL 140 N -0.60 1.27 -0.27 2.92 1.01 0.35 0.32 120.40 125.40 3fck s VAL 140 Ca -0.02 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3fck s VAL 140 Cb -0.05 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.07 3fck s VAL 140 CO 0.00 0.37 0.04 -0.63 0.00 0.00 0.00 175.10 174.88 3fck s ILE 141 N 1.60 3.76 -0.22 2.22 1.01 0.33 -0.36 121.20 129.54 3fck s ILE 141 Ca 0.04 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 3fck s ILE 141 Cb -0.13 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3fck s ILE 141 CO -0.09 0.18 0.47 -0.76 0.00 0.00 0.00 174.94 174.74 3fck s LEU 142 N 1.48 4.12 0.00 2.97 1.43 -1.21 -1.74 118.68 125.74 3fck s LEU 142 Ca 0.03 0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 3fck s LEU 142 Cb -0.16 -2.63 0.06 0.00 0.03 0.00 0.00 46.19 43.49 3fck s LEU 142 CO 0.01 -0.17 0.47 0.61 0.23 0.00 0.00 176.35 177.50 3fck n GLY 143 N 4.04 2.58 0.00 -3.19 0.00 0.16 -4.61 105.19 104.17 3fck n GLY 143 Ca -0.06 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.69 3fck n GLY 143 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3fck n GLN 144 N -1.83 0.00 -4.07 1.61 7.27 -1.26 -1.37 117.38 117.73 3fck n GLN 144 Ca 0.02 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.77 3fck n GLN 144 Cb 0.59 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.17 3fck n GLN 144 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3fck s ASP 145 N -0.24 5.70 0.71 1.69 2.15 -1.26 -1.39 116.67 124.03 3fck s ASP 145 Ca 0.00 0.12 -0.13 0.00 0.43 0.00 0.00 52.55 52.97 3fck s ASP 145 Cb 0.00 -1.62 0.02 0.00 -0.30 0.00 0.00 42.92 41.02 3fck s ASP 145 CO 0.00 0.24 1.11 -2.84 -0.17 0.00 0.00 175.17 173.51 3fck s PRO 146 N -1.95 2.53 0.43 4.34 0.02 -1.25 -4.96 135.00 134.16 3fck s PRO 146 Ca 0.25 1.36 -0.25 0.00 0.02 0.00 0.00 61.00 62.38 3fck s PRO 146 Cb -0.12 -1.92 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 3fck s PRO 146 CO 0.17 -1.46 1.31 0.66 -0.33 0.00 0.00 177.00 177.35 3fck n TYR 147 N -2.83 2.28 -0.03 6.54 4.01 -1.26 -4.92 117.16 120.96 3fck n TYR 147 Ca 0.10 0.48 0.06 0.00 -0.16 0.00 0.00 57.90 58.38 3fck n TYR 147 Cb 0.52 -2.40 0.14 0.00 -0.31 0.00 0.00 39.34 37.29 3fck n TYR 147 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 3fck n HIS 148 N -0.24 0.38 -3.51 -0.72 1.44 -1.26 -4.26 115.22 107.04 3fck n HIS 148 Ca 0.06 -0.38 -0.27 0.00 -2.01 0.00 0.00 57.72 55.12 3fck n HIS 148 Cb 0.40 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.47 3fck n HIS 148 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3fck s GLY 149 N -1.00 1.70 0.32 -1.39 0.00 -1.26 -0.68 107.32 105.01 3fck s GLY 149 Ca 0.22 -0.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.88 3fck s GLY 149 CO 0.16 -0.70 1.34 -1.05 0.00 0.00 0.00 173.10 172.85 3fck n PRO 150 N -1.02 2.16 -0.86 2.90 -0.02 -1.26 -2.54 135.00 134.36 3fck n PRO 150 Ca -0.04 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3fck n PRO 150 Cb 0.54 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3fck n PRO 150 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fck n ASN 151 N 1.16 -2.06 -0.03 2.55 5.03 -1.26 -4.88 115.26 115.78 3fck n ASN 151 Ca 0.06 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.50 3fck n ASN 151 Cb 0.35 -1.65 -0.01 0.00 -1.02 0.00 0.00 39.78 37.45 3fck n ASN 151 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3fck h GLN 152 N 1.00 0.00 -6.64 3.52 4.20 -1.85 -3.41 115.11 111.93 3fck h GLN 152 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 3fck h GLN 152 Cb 0.24 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.05 3fck h GLN 152 CO 0.00 0.00 0.70 0.00 -0.67 0.00 0.00 178.83 178.86 3fck s ALA 153 N -2.87 3.58 -0.01 3.87 0.00 -1.26 -4.33 121.76 120.74 3fck s ALA 153 Ca -0.05 1.16 0.05 0.00 0.00 0.00 0.00 51.96 53.12 3fck s ALA 153 Cb 0.01 -3.52 0.08 0.00 0.00 0.00 0.00 23.12 19.69 3fck s ALA 153 CO 0.08 -0.61 1.03 -2.39 0.00 0.00 0.00 175.76 173.88 3fck n HIS 154 N 3.06 0.00 0.00 0.00 1.44 -1.26 -4.60 115.22 113.86 3fck n HIS 154 Ca 0.08 -0.14 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 3fck n HIS 154 Cb 0.42 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.46 3fck n HIS 154 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3fck n GLY 155 N -0.02 0.63 3.10 -1.39 0.00 -1.13 -4.58 105.19 101.80 3fck n GLY 155 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3fck n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fck s LEU 156 N 0.00 1.82 0.37 0.99 1.43 -1.26 -3.11 118.68 118.91 3fck s LEU 156 Ca 0.00 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.39 3fck s LEU 156 Cb 0.00 -1.11 -0.11 0.00 0.03 0.00 0.00 46.19 45.00 3fck s LEU 156 CO 0.00 0.06 1.51 0.00 0.23 0.00 0.00 176.35 178.16 3fck n PHE 158 N 0.62 0.00 -2.90 0.00 3.01 -1.26 -4.91 117.46 112.03 3fck n PHE 158 Ca 0.02 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.13 3fck n PHE 158 Cb 0.39 -0.19 -0.07 0.00 -0.01 0.00 0.00 39.48 39.60 3fck n PHE 158 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3fck s SER 159 N -1.26 7.05 -0.03 4.37 0.15 -1.08 -4.76 113.70 118.14 3fck s SER 159 Ca 0.00 1.63 0.01 0.00 0.70 0.00 0.00 55.95 58.29 3fck s SER 159 Cb 0.00 -2.51 0.02 0.00 -1.71 0.00 0.00 66.02 61.82 3fck s SER 159 CO 0.00 -0.19 -0.02 0.68 1.20 0.00 0.00 173.24 174.91 3fck s VAL 160 N -1.89 0.27 0.55 4.45 -7.23 0.11 -4.53 120.40 112.13 3fck s VAL 160 Ca 0.55 -0.01 -0.18 0.00 -1.81 0.00 0.00 61.98 60.52 3fck s VAL 160 Cb -0.13 -0.32 -0.05 0.00 0.56 0.00 0.00 36.38 36.43 3fck s VAL 160 CO 0.18 0.15 1.08 -1.10 -0.31 0.00 0.00 175.10 175.09 3fck s GLN 161 N 0.74 3.43 0.40 4.82 -0.21 -1.26 -1.35 119.66 126.24 3fck s GLN 161 Ca -0.08 1.39 -0.25 0.00 0.02 0.00 0.00 55.36 56.44 3fck s GLN 161 Cb -0.11 -2.04 -0.11 0.00 1.00 0.00 0.00 33.01 31.75 3fck s GLN 161 CO -0.01 -0.75 0.97 0.54 -2.12 0.00 0.00 175.29 173.92 3fck n ARG 162 N -1.52 1.28 -0.79 2.91 1.74 -1.26 -1.40 116.66 117.61 3fck n ARG 162 Ca 0.10 0.46 0.02 0.00 -0.77 0.00 0.00 57.85 57.65 3fck n ARG 162 Cb 0.52 -1.97 0.31 0.00 -1.02 0.00 0.00 32.46 30.30 3fck n ARG 162 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3fck n PRO 163 N 0.25 3.92 -1.90 5.56 -0.04 -1.26 -5.11 135.00 136.42 3fck n PRO 163 Ca 0.10 -2.60 -0.42 0.00 -0.04 0.00 0.00 63.50 60.53 3fck n PRO 163 Cb 0.38 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.69 3fck n PRO 163 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fck s VAL 164 N -2.51 2.60 0.32 0.52 1.01 -0.49 -4.95 120.40 116.90 3fck s VAL 164 Ca 0.46 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.53 3fck s VAL 164 Cb 0.35 -3.25 -0.11 0.00 0.00 0.00 0.00 36.38 33.38 3fck s VAL 164 CO 0.13 0.02 1.43 -2.16 0.00 0.00 0.00 175.10 174.52 3fck s PRO 165 N 1.40 4.23 0.06 2.72 0.04 -1.26 -4.27 135.00 137.91 3fck s PRO 165 Ca 0.72 2.40 -0.34 0.00 0.04 0.00 0.00 61.00 63.81 3fck s PRO 165 Cb -0.44 -3.04 -0.13 0.00 0.04 0.00 0.00 34.50 30.92 3fck s PRO 165 CO 0.32 -0.41 1.67 -2.30 0.04 0.00 0.00 177.00 176.31 3fck n PRO 166 N 1.25 2.06 -0.82 0.56 -0.02 -1.26 -4.94 135.00 131.84 3fck n PRO 166 Ca 0.03 0.75 -0.30 0.00 -2.02 0.00 0.00 63.50 61.96 3fck n PRO 166 Cb 0.40 -2.53 0.19 0.00 -0.02 0.00 0.00 33.50 31.54 3fck n PRO 166 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3fck s PRO 167 N 1.99 0.41 0.28 0.52 0.02 -1.26 -4.61 135.00 132.36 3fck s PRO 167 Ca 0.84 1.05 0.02 0.00 0.02 0.00 0.00 61.00 62.94 3fck s PRO 167 Cb -0.71 -1.69 0.64 0.00 0.02 0.00 0.00 34.50 32.75 3fck s PRO 167 CO 0.44 -2.89 1.76 -1.35 -0.33 0.00 0.00 177.00 174.64 3fck h PRO 168 N -2.03 0.66 -0.50 5.54 0.11 -1.98 -0.84 132.00 132.96 3fck h PRO 168 Ca -0.52 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.56 3fck h PRO 168 Cb 1.30 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3fck h PRO 168 CO 0.49 0.43 0.32 0.77 -0.21 0.00 0.00 178.00 179.81 3fck h SER 169 N 0.68 0.54 -0.59 -2.05 0.02 -1.92 -1.60 113.55 108.63 3fck h SER 169 Ca 0.52 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.37 3fck h SER 169 Cb 0.79 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 3fck h SER 169 CO -0.38 0.39 0.01 0.25 -1.14 0.00 0.00 176.83 175.95 3fck h LEU 170 N 0.65 1.02 -0.88 5.07 5.85 -1.51 -0.92 115.31 124.59 3fck h LEU 170 Ca 0.19 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3fck h LEU 170 Cb -0.04 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.66 3fck h LEU 170 CO -0.06 1.07 0.55 -0.33 -0.34 0.00 0.00 178.44 179.33 3fck h GLU 171 N 0.93 0.98 -0.60 1.25 4.39 -0.93 -0.10 114.58 120.50 3fck h GLU 171 Ca 0.17 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 3fck h GLU 171 Cb 0.54 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 3fck h GLU 171 CO 0.03 0.65 0.02 -0.91 -1.16 0.00 0.00 179.01 177.64 3fck h ASN 172 N 1.01 1.01 -0.18 1.42 2.35 -0.87 0.63 115.58 120.95 3fck h ASN 172 Ca 0.38 -0.27 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 3fck h ASN 172 Cb 0.17 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3fck h ASN 172 CO -0.17 1.05 -0.05 0.40 -1.65 0.00 0.00 177.43 177.01 3fck h ILE 173 N 0.95 0.81 -0.74 2.81 2.04 -0.60 -0.84 117.51 121.95 3fck h ILE 173 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 3fck h ILE 173 Cb 0.52 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3fck h ILE 173 CO 0.03 0.00 0.42 1.88 0.00 0.00 0.00 178.15 180.48 3fck h TYR 174 N -0.00 0.98 -0.20 1.37 0.05 -0.72 -1.13 116.97 117.32 3fck h TYR 174 Ca 0.09 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.85 3fck h TYR 174 Cb 0.14 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 3fck h TYR 174 CO -0.21 0.67 0.09 -0.22 -1.05 0.00 0.00 178.16 177.45 3fck h LYS 175 N 1.02 0.29 -0.76 4.88 1.63 -0.50 -0.94 116.57 122.18 3fck h LYS 175 Ca 0.26 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3fck h LYS 175 Cb -0.01 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 3fck h LYS 175 CO -0.05 0.31 0.47 1.49 -3.45 0.00 0.00 179.45 178.23 3fck h GLU 176 N 0.19 1.03 -0.56 1.90 4.57 -0.91 -2.56 114.58 118.24 3fck h GLU 176 Ca 0.07 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3fck h GLU 176 Cb 0.12 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3fck h GLU 176 CO -0.01 0.72 0.31 -0.07 -1.18 0.00 0.00 179.01 178.78 3fck h LEU 177 N 1.04 0.68 -1.69 1.64 3.38 -0.93 -0.62 115.31 118.82 3fck h LEU 177 Ca 0.28 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3fck h LEU 177 Cb -0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3fck h LEU 177 CO -0.05 0.55 -0.16 0.77 0.09 0.00 0.00 178.44 179.64 3fck h SER 178 N 0.78 0.00 0.00 -0.43 4.64 -0.74 0.11 113.55 117.91 3fck h SER 178 Ca 0.20 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.22 3fck h SER 178 Cb 0.02 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.05 3fck h SER 178 CO -0.03 0.16 -2.27 0.35 -0.87 0.00 0.00 176.83 174.17 3fck n THR 179 N -3.58 1.13 0.01 2.95 -2.24 -1.02 -4.58 114.28 106.96 3fck n THR 179 Ca -0.01 -0.77 -0.18 0.00 -2.27 0.00 0.00 64.05 60.82 3fck n THR 179 Cb 0.29 -0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 67.97 3fck n THR 179 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3fck h ASP 180 N 0.00 0.33 -3.55 3.42 -0.00 -0.95 -3.42 116.42 112.25 3fck h ASP 180 Ca -0.45 -0.96 -0.71 0.00 -0.00 0.00 0.00 57.03 54.91 3fck h ASP 180 Cb 2.01 -0.11 -0.26 0.00 -0.00 0.00 0.00 39.33 40.97 3fck h ASP 180 CO 0.02 1.29 -0.51 -0.63 -0.00 0.00 0.00 179.24 179.41 3fck s ILE 181 N -2.37 4.37 0.23 2.25 -1.09 0.37 -4.76 121.20 120.20 3fck s ILE 181 Ca -0.15 -1.07 -0.07 0.00 -2.23 0.00 0.00 60.65 57.12 3fck s ILE 181 Cb -0.00 -3.52 0.19 0.00 -1.58 0.00 0.00 42.46 37.55 3fck s ILE 181 CO 0.79 -0.32 1.71 -0.08 -1.23 0.00 0.00 174.94 175.80 3fck h GLU 182 N 8.41 0.31 -0.10 2.79 4.81 -1.82 -1.67 114.58 127.31 3fck h GLU 182 Ca -0.24 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3fck h GLU 182 Cb 1.09 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3fck h GLU 182 CO 0.69 0.21 0.00 -0.25 -0.73 0.00 0.00 179.01 178.93 3fck n ASP 183 N -5.09 2.16 -4.70 1.04 9.92 -1.26 -4.87 116.55 113.74 3fck n ASP 183 Ca 0.12 -1.73 -0.42 0.00 -0.53 0.00 0.00 54.79 52.22 3fck n ASP 183 Cb 0.38 -0.05 -0.03 0.00 -0.64 0.00 0.00 41.12 40.77 3fck n ASP 183 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 3fck s PHE 184 N -1.89 2.88 0.04 1.24 5.36 -0.63 -5.02 117.98 119.96 3fck s PHE 184 Ca 0.34 0.74 0.05 0.00 -0.96 0.00 0.00 56.93 57.11 3fck s PHE 184 Cb 0.20 -3.74 -0.02 0.00 -0.34 0.00 0.00 43.02 39.12 3fck s PHE 184 CO 0.31 -2.77 -0.16 0.14 -1.46 0.00 0.00 175.22 171.28 3fck s VAL 185 N 2.02 1.24 -0.36 3.12 -7.23 -1.26 -4.53 120.40 113.40 3fck s VAL 185 Ca 0.66 -1.03 -0.41 0.00 -1.81 0.00 0.00 61.98 59.39 3fck s VAL 185 Cb -0.35 -1.11 -0.16 0.00 0.56 0.00 0.00 36.38 35.32 3fck s VAL 185 CO 0.29 0.06 1.84 1.57 -0.31 0.00 0.00 175.10 178.55 3fck n HIS 186 N 1.92 1.83 0.49 2.82 -0.00 -1.26 -4.82 115.22 116.20 3fck n HIS 186 Ca -0.18 0.64 0.06 0.00 0.46 0.00 0.00 57.72 58.70 3fck n HIS 186 Cb 0.54 -2.41 0.27 0.00 -0.12 0.00 0.00 29.99 28.28 3fck n HIS 186 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3fck n PRO 187 N 5.84 0.10 -1.00 1.57 -0.04 -1.26 -4.86 135.00 135.35 3fck n PRO 187 Ca 0.33 0.23 -0.00 0.00 -0.04 0.00 0.00 63.50 64.02 3fck n PRO 187 Cb 0.09 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.05 3fck n PRO 187 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fck n GLY 188 N -0.31 0.47 3.80 0.55 0.00 -1.26 -5.00 105.19 103.44 3fck n GLY 188 Ca 0.04 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 3fck n GLY 188 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3fck s HIS 189 N -1.99 -0.10 -0.28 1.61 -3.43 -1.26 -5.04 115.29 104.81 3fck s HIS 189 Ca 0.00 -0.34 0.16 0.00 -0.80 0.00 0.00 55.06 54.08 3fck s HIS 189 Cb 0.00 0.61 0.45 0.00 -1.43 0.00 0.00 32.58 32.21 3fck s HIS 189 CO 0.00 -1.18 1.35 0.41 -2.00 0.00 0.00 174.74 173.32 3fck n GLY 190 N -0.44 3.93 3.57 -1.38 0.00 -1.24 -4.86 105.19 104.78 3fck n GLY 190 Ca -0.04 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 3fck n GLY 190 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fck s ASP 191 N -1.89 6.54 -0.05 1.61 3.68 -0.46 -0.71 116.67 125.39 3fck s ASP 191 Ca 0.37 0.22 0.11 0.00 2.13 0.00 0.00 52.55 55.39 3fck s ASP 191 Cb 0.29 -2.45 0.41 0.00 -1.45 0.00 0.00 42.92 39.72 3fck s ASP 191 CO 0.09 -0.98 1.28 0.18 0.13 0.00 0.00 175.17 175.86 3fck n LEU 192 N 7.01 2.76 -0.32 -1.34 4.77 -1.26 -4.40 117.00 124.22 3fck n LEU 192 Ca 0.06 -1.39 0.15 0.00 -0.03 0.00 0.00 56.01 54.80 3fck n LEU 192 Cb 0.48 -0.39 0.38 0.00 -2.33 0.00 0.00 43.42 41.56 3fck n LEU 192 CO 0.62 0.53 1.21 0.28 -1.33 0.00 0.00 177.39 178.70 3fck h SER 193 N 2.41 0.68 -0.11 -1.43 0.02 -1.94 -0.64 113.55 112.53 3fck h SER 193 Ca 0.00 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3fck h SER 193 Cb 0.84 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 3fck h SER 193 CO 0.10 0.25 0.03 1.23 -1.14 0.00 0.00 176.83 177.30 3fck h GLY 194 N 0.67 0.26 0.53 -3.77 0.00 -1.77 -0.39 103.07 98.59 3fck h GLY 194 Ca 0.54 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 3fck h GLY 194 CO -0.31 0.11 -0.13 1.49 0.00 0.00 0.00 176.54 177.70 3fck h TRP 195 N 0.24 0.21 -0.76 5.60 6.55 -1.22 -3.24 115.95 123.33 3fck h TRP 195 Ca 0.06 -0.09 0.11 0.00 0.95 0.00 0.00 58.89 59.92 3fck h TRP 195 Cb 0.12 -0.04 -0.08 0.00 -0.86 0.00 0.00 29.16 28.31 3fck h TRP 195 CO 0.00 0.76 0.38 0.00 -1.05 0.00 0.00 178.44 178.53 3fck h ALA 196 N 0.42 1.07 0.00 1.49 0.00 -0.78 -0.22 119.26 121.23 3fck h ALA 196 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fck h ALA 196 Cb 0.76 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3fck h ALA 196 CO 0.03 -0.05 -0.03 0.87 0.00 0.00 0.00 179.25 180.07 3fck h LYS 197 N 0.62 0.00 -0.06 0.00 1.57 -1.20 -1.14 116.57 116.35 3fck h LYS 197 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3fck h LYS 197 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3fck h LYS 197 CO -0.29 0.03 0.00 1.04 -0.57 0.00 0.00 179.45 179.66 3fck n GLN 198 N -4.01 1.45 -0.49 3.15 6.02 -0.14 -4.78 117.38 118.58 3fck n GLN 198 Ca -0.03 -0.67 0.00 0.00 -0.01 0.00 0.00 57.00 56.29 3fck n GLN 198 Cb 0.12 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.95 3fck n GLN 198 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fck n GLY 199 N 1.06 0.84 3.47 1.08 0.00 -0.43 -4.71 105.19 106.50 3fck n GLY 199 Ca 0.18 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 3fck n GLY 199 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fck s VAL 200 N -2.00 4.61 -0.23 1.61 1.01 -0.90 0.09 120.40 124.59 3fck s VAL 200 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3fck s VAL 200 Cb 0.00 -4.46 -0.01 0.00 0.00 0.00 0.00 36.38 31.91 3fck s VAL 200 CO 0.00 -1.04 1.27 -0.22 0.00 0.00 0.00 175.10 175.10 3fck s LEU 201 N 3.34 4.05 -0.99 3.92 2.96 0.15 -3.78 118.68 128.32 3fck s LEU 201 Ca 0.21 1.47 -0.04 0.00 -0.22 0.00 0.00 54.13 55.54 3fck s LEU 201 Cb -0.17 -3.54 0.25 0.00 0.50 0.00 0.00 46.19 43.23 3fck s LEU 201 CO 0.14 -0.89 0.95 0.18 -1.32 0.00 0.00 176.35 175.41 3fck n LEU 202 N 7.03 4.83 -4.39 -0.68 4.77 -1.26 -0.52 117.00 126.78 3fck n LEU 202 Ca 0.14 -5.11 -0.39 0.00 -0.03 0.00 0.00 56.01 50.62 3fck n LEU 202 Cb 0.46 -1.25 -0.11 0.00 -2.33 0.00 0.00 43.42 40.18 3fck n LEU 202 CO 0.59 1.50 -0.19 -0.22 -1.33 0.00 0.00 177.39 177.74 3fck s LEU 203 N -1.45 4.43 0.47 2.23 2.96 -0.71 -1.08 118.68 125.53 3fck s LEU 203 Ca 0.29 -0.82 -0.22 0.00 -0.22 0.00 0.00 54.13 53.17 3fck s LEU 203 Cb -0.07 -2.00 -0.08 0.00 0.50 0.00 0.00 46.19 44.54 3fck s LEU 203 CO -0.10 -0.30 1.12 0.20 -1.32 0.00 0.00 176.35 175.95 3fck s ASN 204 N 1.56 6.22 0.17 3.68 0.01 -1.26 -0.66 114.94 124.66 3fck s ASN 204 Ca 0.03 2.18 -0.01 0.00 -0.71 0.00 0.00 52.86 54.34 3fck s ASN 204 Cb -0.18 -2.59 0.05 0.00 0.41 0.00 0.00 41.25 38.94 3fck s ASN 204 CO 0.06 -0.87 1.43 0.00 -1.51 0.00 0.00 177.10 176.20 3fck h ALA 205 N 1.91 0.58 -3.23 0.60 0.00 -0.49 -3.42 119.26 115.21 3fck h ALA 205 Ca -0.49 -0.62 -0.66 0.00 0.00 0.00 0.00 54.91 53.14 3fck h ALA 205 Cb 1.24 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.68 3fck h ALA 205 CO 0.60 0.77 -0.80 0.08 0.00 0.00 0.00 179.25 179.90 3fck s VAL 206 N -3.59 2.75 -1.95 0.00 1.01 -0.48 -3.53 120.40 114.60 3fck s VAL 206 Ca -0.06 -0.75 0.21 0.00 0.00 0.00 0.00 61.98 61.39 3fck s VAL 206 Cb 0.10 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.33 3fck s VAL 206 CO 0.84 0.52 1.04 0.18 0.00 0.00 0.00 175.10 177.68 3fck n LEU 207 N 3.91 1.99 -4.14 3.92 4.77 -1.26 -3.80 117.00 122.39 3fck n LEU 207 Ca -0.19 -0.77 -0.09 0.00 -0.03 0.00 0.00 56.01 54.93 3fck n LEU 207 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 3fck n LEU 207 CO 0.29 0.37 -0.37 0.42 -1.33 0.00 0.00 177.39 176.77 3fck s THR 208 N -2.32 0.48 -0.15 -5.08 -4.23 -1.26 -4.34 115.64 98.74 3fck s THR 208 Ca 0.18 -1.88 -0.20 0.00 -1.18 0.00 0.00 61.69 58.61 3fck s THR 208 Cb 0.17 -1.63 0.05 0.00 1.34 0.00 0.00 72.50 72.43 3fck s THR 208 CO 0.52 -0.91 0.52 0.54 -0.54 0.00 0.00 174.62 174.75 3fck s VAL 209 N -3.76 0.01 0.23 2.29 0.11 0.02 -4.44 120.40 114.86 3fck s VAL 209 Ca 0.10 -0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.78 3fck s VAL 209 Cb 0.06 -0.76 -0.09 0.00 -1.53 0.00 0.00 36.38 34.07 3fck s VAL 209 CO -0.07 -0.04 1.22 -0.60 -3.33 0.00 0.00 175.10 172.28 3fck s ARG 210 N -0.20 4.48 0.09 1.54 3.52 -1.26 -0.60 118.95 126.52 3fck s ARG 210 Ca -0.04 1.95 -0.36 0.00 -0.13 0.00 0.00 55.73 57.15 3fck s ARG 210 Cb -0.03 -3.20 -0.17 0.00 -1.56 0.00 0.00 34.95 29.99 3fck s ARG 210 CO 0.03 -0.08 1.19 0.00 -0.81 0.00 0.00 175.30 175.63 3fck n ALA 211 N 2.03 -1.71 -0.86 6.12 0.00 0.43 -1.77 120.51 124.75 3fck n ALA 211 Ca 0.03 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3fck n ALA 211 Cb 0.44 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3fck n ALA 211 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fck n HIS 212 N 1.88 0.00 -3.81 0.00 8.25 0.15 -4.92 115.22 116.77 3fck n HIS 212 Ca 0.18 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.35 3fck n HIS 212 Cb 0.18 -1.12 -0.13 0.00 1.12 0.00 0.00 29.99 30.05 3fck n HIS 212 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3fck s GLN 213 N -0.98 1.83 0.26 -0.41 -0.21 -0.73 -5.08 119.66 114.34 3fck s GLN 213 Ca 0.00 -2.62 -0.30 0.00 0.02 0.00 0.00 55.36 52.46 3fck s GLN 213 Cb 0.00 -2.89 -0.14 0.00 1.00 0.00 0.00 33.01 30.98 3fck s GLN 213 CO 0.00 -1.20 1.16 0.00 -2.12 0.00 0.00 175.29 173.12 3fck n ALA 214 N 2.86 0.10 -1.14 6.09 0.00 -1.26 -2.23 120.51 124.94 3fck n ALA 214 Ca 0.13 0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.93 3fck n ALA 214 Cb 0.35 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 3fck n ALA 214 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fck n ASN 215 N 1.52 -4.91 0.26 0.00 3.02 -1.26 -4.89 115.26 108.99 3fck n ASN 215 Ca 0.10 0.12 0.12 0.00 -0.03 0.00 0.00 54.58 54.89 3fck n ASN 215 Cb 0.31 -2.82 0.69 0.00 -0.61 0.00 0.00 39.78 37.35 3fck n ASN 215 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3fck h SER 216 N 0.00 0.00 -0.35 6.41 4.64 -1.79 -2.35 113.55 120.11 3fck h SER 216 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3fck h SER 216 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3fck h SER 216 CO 0.14 0.13 0.00 1.41 -0.87 0.00 0.00 176.83 177.64 3fck n HIS 217 N -3.68 1.19 -2.15 4.77 8.25 -1.26 -4.89 115.22 117.46 3fck n HIS 217 Ca -0.02 -0.81 -0.40 0.00 -0.26 0.00 0.00 57.72 56.23 3fck n HIS 217 Cb 0.25 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 3fck n HIS 217 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3fck s LYS 218 N -2.67 4.32 -1.38 -0.41 2.20 -0.89 -3.58 119.74 117.33 3fck s LYS 218 Ca 0.44 2.15 -0.09 0.00 -0.36 0.00 0.00 55.97 58.12 3fck s LYS 218 Cb 0.35 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.67 3fck s LYS 218 CO 0.11 -0.20 1.14 0.39 -0.36 0.00 0.00 175.35 176.44 3fck n GLU 219 N 0.71 -7.48 -0.03 4.03 -0.58 -1.26 -4.89 120.64 111.13 3fck n GLU 219 Ca 0.01 0.79 0.03 0.00 -0.42 0.00 0.00 57.16 57.56 3fck n GLU 219 Cb 0.42 -5.81 0.04 0.00 -0.57 0.00 0.00 31.44 25.52 3fck n GLU 219 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3fck n ARG 220 N -4.90 0.90 0.00 3.49 5.12 -1.24 -4.98 116.66 115.06 3fck n ARG 220 Ca -0.01 -1.17 0.00 0.00 -1.93 0.00 0.00 57.85 54.74 3fck n ARG 220 Cb 0.56 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 3fck n ARG 220 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fck n GLY 221 N 0.21 1.28 0.36 -0.13 0.00 -1.26 -4.27 105.19 101.37 3fck n GLY 221 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 3fck n GLY 221 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3fck h TRP 222 N 0.00 1.18 -0.63 1.61 -0.00 -1.87 -2.77 115.95 113.47 3fck h TRP 222 Ca 0.00 -0.02 0.06 0.00 -0.00 0.00 0.00 58.89 58.93 3fck h TRP 222 Cb 0.00 -0.38 -0.05 0.00 -0.00 0.00 0.00 29.16 28.72 3fck h TRP 222 CO 0.00 0.80 0.34 0.93 -0.00 0.00 0.00 178.44 180.51 3fck h GLU 223 N 1.22 0.61 -0.60 0.49 3.07 -1.94 0.90 114.58 118.33 3fck h GLU 223 Ca 0.31 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.08 3fck h GLU 223 Cb -0.01 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 27.74 3fck h GLU 223 CO -0.05 0.41 0.18 0.37 -1.40 0.00 0.00 179.01 178.51 3fck h GLN 224 N 0.63 0.94 -0.22 2.33 4.15 -1.83 0.88 115.11 121.98 3fck h GLN 224 Ca 0.29 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 3fck h GLN 224 Cb 0.19 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 3fck h GLN 224 CO -0.19 0.84 0.08 0.35 -1.93 0.00 0.00 178.83 177.99 3fck h PHE 225 N 0.86 0.35 0.00 3.99 3.57 -1.12 -1.27 116.94 123.32 3fck h PHE 225 Ca 0.19 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 3fck h PHE 225 Cb 0.31 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3fck h PHE 225 CO 0.02 0.40 -0.58 1.79 -2.23 0.00 0.00 178.31 177.71 3fck h THR 226 N 0.20 1.40 -0.71 4.41 1.35 -0.76 -1.86 112.91 116.95 3fck h THR 226 Ca 0.07 -2.00 0.05 0.00 -0.55 0.00 0.00 66.41 63.99 3fck h THR 226 Cb 0.20 2.08 -0.05 0.00 -1.73 0.00 0.00 68.15 68.65 3fck h THR 226 CO -0.00 0.57 0.41 0.44 -0.25 0.00 0.00 175.52 176.69 3fck h ASP 227 N 0.00 0.64 -0.84 5.36 3.32 -0.69 -1.15 116.42 123.06 3fck h ASP 227 Ca -0.01 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3fck h ASP 227 Cb 1.04 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.43 3fck h ASP 227 CO 0.08 0.42 0.55 0.00 -1.72 0.00 0.00 179.24 178.57 3fck h ALA 228 N 1.34 1.45 -0.06 3.45 0.00 -0.46 0.94 119.26 125.93 3fck h ALA 228 Ca 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3fck h ALA 228 Cb 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3fck h ALA 228 CO -0.16 0.48 0.00 0.28 0.00 0.00 0.00 179.25 179.85 3fck h VAL 229 N 1.08 1.25 -0.57 0.00 2.07 -0.78 -1.06 116.25 118.23 3fck h VAL 229 Ca 0.32 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 3fck h VAL 229 Cb -0.03 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3fck h VAL 229 CO -0.09 0.21 0.26 0.58 0.02 0.00 0.00 177.57 178.55 3fck h VAL 230 N -0.19 1.21 -0.60 2.57 2.07 -0.91 -1.72 116.25 118.68 3fck h VAL 230 Ca 0.02 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3fck h VAL 230 Cb 0.33 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3fck h VAL 230 CO 0.00 0.25 0.39 -1.28 0.02 0.00 0.00 177.57 176.95 3fck h SER 231 N 0.78 0.70 -0.22 0.57 0.87 -0.79 0.35 113.55 115.81 3fck h SER 231 Ca 0.20 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3fck h SER 231 Cb 0.15 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3fck h SER 231 CO -0.02 0.52 0.14 -0.25 -0.53 0.00 0.00 176.83 176.69 3fck h TRP 232 N 0.81 0.27 -0.60 2.24 7.01 -0.80 -1.09 115.95 123.78 3fck h TRP 232 Ca 0.22 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 3fck h TRP 232 Cb -0.07 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 26.87 3fck h TRP 232 CO -0.03 0.17 0.36 -0.07 -2.79 0.00 0.00 178.44 176.08 3fck h LEU 233 N 0.29 0.72 -0.66 0.65 3.38 -1.09 0.46 115.31 119.07 3fck h LEU 233 Ca 0.08 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3fck h LEU 233 Cb -0.03 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 3fck h LEU 233 CO -0.02 0.57 0.35 -1.13 0.09 0.00 0.00 178.44 178.30 3fck h ASN 234 N 0.81 0.50 1.14 -0.43 -1.24 -0.63 -1.37 115.58 114.36 3fck h ASN 234 Ca 0.22 0.04 -0.14 0.00 0.71 0.00 0.00 56.30 57.12 3fck h ASN 234 Cb -0.02 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 3fck h ASN 234 CO -0.04 0.31 -0.90 1.56 -1.29 0.00 0.00 177.43 177.07 3fck h GLN 235 N 0.63 0.00 0.00 6.67 1.08 -0.83 -3.40 115.11 119.27 3fck h GLN 235 Ca 0.30 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 3fck h GLN 235 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3fck h GLN 235 CO -0.20 0.47 0.00 0.09 -0.95 0.00 0.00 178.83 178.24 3fck n ASN 236 N -3.11 0.41 -4.86 1.46 4.13 0.12 -5.04 115.26 108.38 3fck n ASN 236 Ca -0.03 -0.70 -0.26 0.00 1.68 0.00 0.00 54.58 55.27 3fck n ASN 236 Cb 0.80 0.53 -0.03 0.00 -1.54 0.00 0.00 39.78 39.54 3fck n ASN 236 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3fck s SER 237 N -0.53 4.61 -0.02 6.41 0.01 -0.52 -5.01 113.70 118.65 3fck s SER 237 Ca 0.00 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.08 3fck s SER 237 Cb 0.00 0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.38 3fck s SER 237 CO 0.00 -0.92 0.03 0.21 0.41 0.00 0.00 173.24 172.97 3fck s ASN 238 N -4.16 0.10 -1.34 2.44 2.47 -1.26 -4.88 114.94 108.31 3fck s ASN 238 Ca 0.35 0.03 -0.03 0.00 0.42 0.00 0.00 52.86 53.64 3fck s ASN 238 Cb -0.01 -0.08 0.00 0.00 -1.45 0.00 0.00 41.25 39.71 3fck s ASN 238 CO 0.21 -0.12 0.35 0.61 -3.72 0.00 0.00 177.10 174.42 3fck n GLY 239 N 4.16 -0.31 3.77 1.21 0.00 -0.44 -4.98 105.19 108.59 3fck n GLY 239 Ca -0.28 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 3fck n GLY 239 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fck s LEU 240 N -5.37 3.65 -0.29 0.99 1.43 -1.26 -4.73 118.68 113.10 3fck s LEU 240 Ca 0.17 2.18 -0.08 0.00 -1.03 0.00 0.00 54.13 55.38 3fck s LEU 240 Cb -0.08 -4.58 -0.00 0.00 0.03 0.00 0.00 46.19 41.56 3fck s LEU 240 CO 0.21 -1.39 0.10 -0.69 0.23 0.00 0.00 176.35 174.81 3fck s VAL 241 N -1.86 4.22 -0.22 -1.59 1.01 -0.82 0.04 120.40 121.18 3fck s VAL 241 Ca 0.72 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 3fck s VAL 241 Cb -0.24 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3fck s VAL 241 CO 0.31 0.11 0.32 -0.36 0.00 0.00 0.00 175.10 175.48 3fck s PHE 242 N 1.55 3.34 -0.35 5.22 0.40 0.68 -0.50 117.98 128.32 3fck s PHE 242 Ca 0.04 0.46 -0.10 0.00 -0.60 0.00 0.00 56.93 56.73 3fck s PHE 242 Cb -0.17 -2.45 0.02 0.00 0.51 0.00 0.00 43.02 40.93 3fck s PHE 242 CO 0.04 -0.01 0.17 -0.51 0.70 0.00 0.00 175.22 175.60 3fck s LEU 243 N 1.33 4.44 -0.38 -0.37 1.43 0.52 -0.60 118.68 125.05 3fck s LEU 243 Ca 0.15 -0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 3fck s LEU 243 Cb -0.14 -1.99 0.09 0.00 0.03 0.00 0.00 46.19 44.18 3fck s LEU 243 CO 0.07 -0.31 0.14 -0.76 0.23 0.00 0.00 176.35 175.72 3fck s LEU 244 N 1.55 4.86 -0.33 1.79 1.43 0.64 -3.29 118.68 125.34 3fck s LEU 244 Ca 0.02 -1.81 -0.08 0.00 -1.03 0.00 0.00 54.13 51.24 3fck s LEU 244 Cb -0.18 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3fck s LEU 244 CO 0.06 -0.46 0.13 0.26 0.23 0.00 0.00 176.35 176.57 3fck s TRP 245 N 1.17 3.21 0.00 0.29 0.51 -1.26 -1.93 118.94 120.94 3fck s TRP 245 Ca 0.05 -1.09 0.00 0.00 -2.12 0.00 0.00 56.10 52.93 3fck s TRP 245 Cb -0.22 -2.32 0.00 0.00 -0.81 0.00 0.00 33.47 30.12 3fck s TRP 245 CO -0.03 -0.64 0.00 0.41 -0.51 0.00 0.00 176.95 176.18 3fck n GLY 246 N 4.89 0.83 0.28 0.98 0.00 -0.16 -4.40 105.19 107.62 3fck n GLY 246 Ca -0.13 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.19 3fck n GLY 246 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fck h SER 247 N 0.00 0.39 0.20 1.61 4.64 -1.93 -1.74 113.55 116.73 3fck h SER 247 Ca 0.00 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3fck h SER 247 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3fck h SER 247 CO 0.00 0.38 -0.10 0.22 -0.87 0.00 0.00 176.83 176.46 3fck h TYR 248 N 0.43 -0.26 -0.92 4.77 3.20 -2.00 -1.02 116.97 121.18 3fck h TYR 248 Ca 0.11 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.99 3fck h TYR 248 Cb 0.12 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 3fck h TYR 248 CO 0.00 -0.03 0.61 0.00 -1.64 0.00 0.00 178.16 177.10 3fck h ALA 249 N 0.31 1.38 -0.56 1.82 0.00 -1.74 -2.05 119.26 118.42 3fck h ALA 249 Ca -0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3fck h ALA 249 Cb 0.34 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3fck h ALA 249 CO 0.05 0.55 -0.06 1.96 0.00 0.00 0.00 179.25 181.75 3fck h GLN 250 N 1.20 1.01 -0.47 0.00 4.20 -1.03 -1.27 115.11 118.74 3fck h GLN 250 Ca 0.35 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3fck h GLN 250 Cb -0.06 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3fck h GLN 250 CO -0.09 1.03 0.10 -0.22 -0.67 0.00 0.00 178.83 178.98 3fck h LYS 251 N 0.92 0.76 -0.40 1.46 3.64 -1.03 -2.13 116.57 119.78 3fck h LYS 251 Ca 0.15 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3fck h LYS 251 Cb 0.61 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3fck h LYS 251 CO 0.04 0.76 0.27 -0.22 -2.27 0.00 0.00 179.45 178.02 3fck h LYS 252 N 0.64 0.49 -0.65 1.90 3.64 -1.00 -2.38 116.57 119.21 3fck h LYS 252 Ca 0.15 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3fck h LYS 252 Cb 0.35 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3fck h LYS 252 CO 0.00 0.33 0.00 0.41 -2.27 0.00 0.00 179.45 177.92 3fck n GLY 253 N -1.48 2.01 0.26 5.01 0.00 -0.51 -4.62 105.19 105.85 3fck n GLY 253 Ca 0.03 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.41 3fck n GLY 253 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fck h SER 254 N 3.76 0.16 -0.18 1.61 4.64 -0.84 -2.82 113.55 119.88 3fck h SER 254 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3fck h SER 254 Cb 0.86 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3fck h SER 254 CO 0.00 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.18 3fck n ALA 255 N -2.51 2.49 -1.82 5.18 0.00 -1.26 -4.94 120.51 117.66 3fck n ALA 255 Ca -0.01 -0.65 -0.41 0.00 0.00 0.00 0.00 53.44 52.36 3fck n ALA 255 Cb 0.17 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 3fck n ALA 255 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fck s ILE 256 N -1.78 2.34 -0.39 0.00 1.01 -1.07 -4.92 121.20 116.40 3fck s ILE 256 Ca 0.34 0.29 -0.27 0.00 0.00 0.00 0.00 60.65 61.01 3fck s ILE 256 Cb 0.20 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 3fck s ILE 256 CO 0.29 0.04 2.06 -0.62 0.00 0.00 0.00 174.94 176.72 3fck s ASP 257 N 0.47 5.32 0.00 3.58 -1.08 -1.26 -4.87 116.67 118.83 3fck s ASP 257 Ca 0.62 1.22 0.20 0.00 -0.52 0.00 0.00 52.55 54.07 3fck s ASP 257 Cb -0.45 -2.52 0.97 0.00 -1.46 0.00 0.00 42.92 39.47 3fck s ASP 257 CO 0.45 -2.17 1.64 0.54 0.52 0.00 0.00 175.17 176.14 3fck n ARG 258 N 8.79 0.21 -0.10 4.34 5.12 -1.26 -0.77 116.66 132.99 3fck n ARG 258 Ca 0.27 0.11 -0.19 0.00 -1.93 0.00 0.00 57.85 56.12 3fck n ARG 258 Cb 0.49 -1.50 -0.12 0.00 -1.16 0.00 0.00 32.46 30.17 3fck n ARG 258 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3fck n LYS 259 N -1.34 0.67 0.02 5.56 5.02 -1.26 -4.42 118.16 122.40 3fck n LYS 259 Ca 0.08 0.18 -0.12 0.00 -2.02 0.00 0.00 58.31 56.43 3fck n LYS 259 Cb 0.18 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3fck n LYS 259 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3fck h ARG 260 N -0.00 0.56 -5.64 1.97 2.43 -1.95 -3.47 114.38 108.28 3fck h ARG 260 Ca -0.55 -0.43 -0.56 0.00 -0.81 0.00 0.00 59.98 57.63 3fck h ARG 260 Cb 1.92 0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 31.42 3fck h ARG 260 CO -0.06 1.06 -0.65 -1.01 -1.51 0.00 0.00 179.97 177.80 3fck s HIS 261 N -3.75 2.23 -0.13 2.20 3.76 0.05 -1.32 115.29 118.33 3fck s HIS 261 Ca -0.07 -0.67 -0.02 0.00 -0.15 0.00 0.00 55.06 54.15 3fck s HIS 261 Cb 0.10 -1.38 -0.02 0.00 1.11 0.00 0.00 32.58 32.39 3fck s HIS 261 CO 0.86 0.37 -0.07 -1.01 -0.85 0.00 0.00 174.74 174.05 3fck s HIS 262 N -2.86 2.95 -0.13 1.40 3.76 0.11 -4.38 115.29 116.14 3fck s HIS 262 Ca 0.33 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 54.95 3fck s HIS 262 Cb 0.06 -1.87 0.00 0.00 1.11 0.00 0.00 32.58 31.88 3fck s HIS 262 CO 0.15 0.01 -0.21 0.08 -0.85 0.00 0.00 174.74 173.92 3fck s VAL 263 N 0.07 2.27 -0.11 -0.90 1.01 -1.26 -0.23 120.40 121.25 3fck s VAL 263 Ca -0.02 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3fck s VAL 263 Cb -0.14 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 3fck s VAL 263 CO 0.03 0.55 -0.16 -0.76 0.00 0.00 0.00 175.10 174.76 3fck s LEU 264 N 0.57 2.59 -0.01 3.92 1.02 0.23 -4.97 118.68 122.03 3fck s LEU 264 Ca -0.12 -0.35 0.06 0.00 0.02 0.00 0.00 54.13 53.74 3fck s LEU 264 Cb -0.17 -1.56 -0.01 0.00 0.02 0.00 0.00 46.19 44.47 3fck s LEU 264 CO 0.04 0.20 -0.18 -1.10 0.02 0.00 0.00 176.35 175.32 3fck s GLN 265 N 0.13 1.47 0.20 1.70 -0.21 -1.26 -0.26 119.66 121.43 3fck s GLN 265 Ca -0.08 -0.66 -0.07 0.00 0.02 0.00 0.00 55.36 54.56 3fck s GLN 265 Cb -0.15 -1.42 0.03 0.00 1.00 0.00 0.00 33.01 32.46 3fck s GLN 265 CO 0.05 0.39 0.40 -2.37 -2.12 0.00 0.00 175.29 171.64 3fck n THR 266 N 2.59 0.00 -1.20 -0.19 5.66 -0.81 -4.99 114.28 115.34 3fck n THR 266 Ca -0.15 -0.51 -0.32 0.00 -3.05 0.00 0.00 64.05 60.02 3fck n THR 266 Cb 0.54 0.51 0.10 0.00 -1.55 0.00 0.00 70.33 69.93 3fck n THR 266 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fck s ALA 267 N -1.56 2.07 0.34 1.79 0.00 -1.26 -0.99 121.76 122.14 3fck s ALA 267 Ca 0.08 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.22 3fck s ALA 267 Cb -0.02 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 3fck s ALA 267 CO 0.06 -1.97 1.29 -1.58 0.00 0.00 0.00 175.76 173.56 3fck s HIS 268 N -2.66 3.06 -2.00 0.00 2.46 -1.26 -4.01 115.29 110.88 3fck s HIS 268 Ca 0.65 1.44 0.18 0.00 0.47 0.00 0.00 55.06 57.80 3fck s HIS 268 Cb -0.20 -3.64 1.06 0.00 -0.13 0.00 0.00 32.58 29.66 3fck s HIS 268 CO 0.53 -1.77 1.48 -0.35 -2.47 0.00 0.00 174.74 172.16 3fck n PRO 269 N 0.73 0.64 -1.64 2.88 -0.04 -1.26 -2.96 135.00 133.36 3fck n PRO 269 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 3fck n PRO 269 Cb 0.42 -1.43 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 3fck n PRO 269 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3fck n SER 270 N -0.93 1.62 -0.32 3.54 2.88 -1.26 -4.49 113.62 114.66 3fck n SER 270 Ca 0.13 1.05 0.26 0.00 -1.33 0.00 0.00 58.87 58.98 3fck n SER 270 Cb 0.06 -1.40 0.58 0.00 -0.75 0.00 0.00 64.21 62.70 3fck n SER 270 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3fck h PRO 271 N 1.65 0.27 0.00 -1.46 0.11 -1.88 0.26 132.00 130.95 3fck h PRO 271 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3fck h PRO 271 Cb 1.33 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3fck h PRO 271 CO 0.57 0.18 -0.05 -0.07 -0.21 0.00 0.00 178.00 178.42 3fck h LEU 272 N 0.28 0.00 -0.02 2.35 3.38 -1.92 -3.31 115.31 116.07 3fck h LEU 272 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.56 3fck h LEU 272 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 3fck h LEU 272 CO -0.23 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 176.81 3fck n SER 273 N -3.19 0.02 -0.17 -0.43 3.41 -0.36 -4.84 113.62 108.07 3fck n SER 273 Ca 0.00 -0.36 0.11 0.00 -0.26 0.00 0.00 58.87 58.37 3fck n SER 273 Cb 0.31 0.65 0.44 0.00 -0.26 0.00 0.00 64.21 65.34 3fck n SER 273 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3fck h VAL 274 N 0.01 0.89 -0.15 -3.33 3.04 -0.43 0.96 116.25 117.24 3fck h VAL 274 Ca 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 3fck h VAL 274 Cb 0.01 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 29.57 3fck h VAL 274 CO 0.00 0.10 0.00 -1.22 -1.01 0.00 0.00 177.57 175.44 3fck n TYR 275 N -4.49 0.20 -0.51 3.17 4.02 -1.26 -1.41 117.16 116.88 3fck n TYR 275 Ca 0.13 -0.10 0.01 0.00 -0.01 0.00 0.00 57.90 57.92 3fck n TYR 275 Cb 0.39 0.00 0.28 0.00 -0.02 0.00 0.00 39.34 39.99 3fck n TYR 275 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3fck n ARG 276 N 0.01 3.61 0.00 -0.72 1.74 0.33 -4.83 116.66 116.80 3fck n ARG 276 Ca 0.12 -2.40 0.00 0.00 -0.77 0.00 0.00 57.85 54.80 3fck n ARG 276 Cb 0.21 -2.06 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 3fck n ARG 276 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fck n GLY 277 N 0.24 1.57 0.07 -0.13 0.00 -1.23 -4.47 105.19 101.23 3fck n GLY 277 Ca 0.26 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 3fck n GLY 277 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3fck h PHE 278 N 0.00 -0.08 -2.57 1.61 3.57 -1.60 -3.21 116.94 114.66 3fck h PHE 278 Ca 0.00 -0.00 -0.54 0.00 3.53 0.00 0.00 57.97 60.96 3fck h PHE 278 Cb 0.00 0.03 0.01 0.00 2.79 0.00 0.00 35.95 38.77 3fck h PHE 278 CO 0.00 0.05 1.10 -0.06 -2.23 0.00 0.00 178.31 177.17 3fck s PHE 279 N -5.76 1.92 0.00 0.41 2.99 -0.50 -1.44 117.98 115.59 3fck s PHE 279 Ca -0.14 0.06 0.00 0.00 0.00 0.00 0.00 56.93 56.85 3fck s PHE 279 Cb 0.05 -4.01 0.00 0.00 0.00 0.00 0.00 43.02 39.06 3fck s PHE 279 CO 0.65 -4.29 0.00 0.41 -0.00 0.00 0.00 175.22 172.00 3fck n GLY 280 N 4.20 0.75 0.21 4.36 0.00 -1.26 -4.95 105.19 108.49 3fck n GLY 280 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3fck n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fck n ARG 282 N -3.67 -3.62 0.24 0.00 1.74 -1.26 -4.87 116.66 105.22 3fck n ARG 282 Ca -0.01 0.63 0.07 0.00 -0.77 0.00 0.00 57.85 57.77 3fck n ARG 282 Cb 0.42 -5.36 0.58 0.00 -1.02 0.00 0.00 32.46 27.08 3fck n ARG 282 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3fck h HIS 283 N -0.93 0.00 -0.01 -1.55 3.86 -1.92 -2.33 115.15 112.28 3fck h HIS 283 Ca -0.44 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.72 3fck h HIS 283 Cb 1.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.77 3fck h HIS 283 CO 0.63 0.12 -0.21 0.74 0.86 0.00 0.00 177.93 180.07 3fck h PHE 284 N 0.00 0.23 -0.41 2.45 -1.00 -1.97 0.86 116.94 117.10 3fck h PHE 284 Ca -0.00 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.64 3fck h PHE 284 Cb 0.21 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 3fck h PHE 284 CO 0.00 0.89 0.18 0.66 -1.61 0.00 0.00 178.31 178.43 3fck h SER 285 N -0.50 0.54 -0.82 2.17 4.64 -1.85 -3.01 113.55 114.71 3fck h SER 285 Ca -0.02 -0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3fck h SER 285 Cb 0.94 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.84 3fck h SER 285 CO 0.04 0.54 0.51 0.11 -0.87 0.00 0.00 176.83 177.16 3fck h LYS 286 N 0.51 0.91 -0.37 4.77 1.57 -1.42 -2.14 116.57 120.41 3fck h LYS 286 Ca 0.14 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3fck h LYS 286 Cb 0.15 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.19 3fck h LYS 286 CO -0.01 0.61 0.00 1.15 -0.57 0.00 0.00 179.45 180.62 3fck h THR 287 N 0.94 0.73 -0.42 -0.16 2.02 -0.73 -1.45 112.91 113.84 3fck h THR 287 Ca 0.35 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.45 3fck h THR 287 Cb 0.13 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3fck h THR 287 CO -0.16 0.02 0.08 0.78 0.37 0.00 0.00 175.52 176.61 3fck h ASN 288 N 0.11 0.59 -0.29 4.18 2.35 -1.28 0.15 115.58 121.39 3fck h ASN 288 Ca 0.18 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3fck h ASN 288 Cb 0.25 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3fck h ASN 288 CO -0.30 0.61 0.11 -0.33 -1.65 0.00 0.00 177.43 175.88 3fck h GLU 289 N 0.62 0.43 -0.73 0.81 5.08 -0.99 -1.91 114.58 117.88 3fck h GLU 289 Ca 0.14 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3fck h GLU 289 Cb 0.27 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3fck h GLU 289 CO 0.00 0.45 0.24 -0.07 -1.00 0.00 0.00 179.01 178.63 3fck h LEU 290 N 0.31 1.06 -0.99 1.33 3.38 -0.85 -2.32 115.31 117.23 3fck h LEU 290 Ca 0.10 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3fck h LEU 290 Cb 0.18 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3fck h LEU 290 CO -0.01 0.98 0.66 -0.07 0.09 0.00 0.00 178.44 180.08 3fck h LEU 291 N 1.08 1.15 -0.80 1.67 3.38 -0.86 -0.81 115.31 120.11 3fck h LEU 291 Ca 0.24 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 3fck h LEU 291 Cb 0.29 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3fck h LEU 291 CO -0.01 0.83 0.38 -0.61 0.09 0.00 0.00 178.44 179.12 3fck h GLN 292 N 1.35 1.16 0.00 1.13 4.15 -1.01 0.14 115.11 122.03 3fck h GLN 292 Ca 0.36 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 3fck h GLN 292 Cb -0.15 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 27.33 3fck h GLN 292 CO -0.08 0.90 -0.01 0.87 -1.93 0.00 0.00 178.83 178.59 3fck h LYS 293 N 1.14 0.00 -0.07 1.69 1.57 -0.83 -0.06 116.57 120.00 3fck h LYS 293 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3fck h LYS 293 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3fck h LYS 293 CO -0.03 0.01 0.00 0.43 -0.57 0.00 0.00 179.45 179.28 3fck n SER 294 N -3.10 1.57 -0.03 0.86 7.64 -0.38 -4.93 113.62 115.24 3fck n SER 294 Ca -0.00 -1.58 -0.00 0.00 1.01 0.00 0.00 58.87 58.29 3fck n SER 294 Cb 0.26 -0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.42 3fck n SER 294 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fck n GLY 295 N 1.16 0.40 3.42 0.23 0.00 -0.04 -4.96 105.19 105.39 3fck n GLY 295 Ca 0.18 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 3fck n GLY 295 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fck s LYS 296 N -2.54 1.51 0.40 1.61 1.02 0.42 -5.00 119.74 117.16 3fck s LYS 296 Ca 0.00 -1.31 -0.24 0.00 0.02 0.00 0.00 55.97 54.44 3fck s LYS 296 Cb 0.00 -1.96 -0.09 0.00 -0.52 0.00 0.00 37.83 35.27 3fck s LYS 296 CO 0.00 0.46 1.08 0.15 -0.92 0.00 0.00 175.35 176.12 3fck s LYS 297 N -2.10 4.11 0.75 1.68 -0.14 -1.26 -3.24 119.74 119.54 3fck s LYS 297 Ca 0.15 1.60 -0.11 0.00 -1.36 0.00 0.00 55.97 56.25 3fck s LYS 297 Cb -0.10 -2.56 0.04 0.00 -1.68 0.00 0.00 37.83 33.53 3fck s LYS 297 CO 0.07 -0.21 1.08 -1.25 -0.76 0.00 0.00 175.35 174.28 3fck s PRO 298 N -2.47 2.47 0.14 -1.68 0.04 -1.26 -4.92 135.00 127.32 3fck s PRO 298 Ca 0.58 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 3fck s PRO 298 Cb -0.24 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 3fck s PRO 298 CO 0.30 -1.41 1.15 0.42 0.04 0.00 0.00 177.00 177.50 3fck s ILE 299 N -3.05 3.86 -0.66 0.56 -1.09 -1.26 -5.01 121.20 114.56 3fck s ILE 299 Ca 0.60 1.50 -0.22 0.00 -2.23 0.00 0.00 60.65 60.30 3fck s ILE 299 Cb -0.15 -3.96 0.07 0.00 -1.58 0.00 0.00 42.46 36.84 3fck s ILE 299 CO 0.55 0.21 0.95 -0.62 -1.23 0.00 0.00 174.94 174.80 3fck s ASP 300 N 0.32 6.18 0.52 3.58 3.68 -1.26 -4.90 116.67 124.80 3fck s ASP 300 Ca 0.53 -1.04 0.35 0.00 2.13 0.00 0.00 52.55 54.52 3fck s ASP 300 Cb -0.30 -2.41 1.61 0.00 -1.45 0.00 0.00 42.92 40.37 3fck s ASP 300 CO 0.34 -1.42 2.03 -0.50 0.13 0.00 0.00 175.17 175.75 3fck h TRP 301 N 9.53 0.00 0.00 -5.34 4.06 -1.98 -1.47 115.95 120.76 3fck h TRP 301 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 3fck h TRP 301 Cb 1.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.23 3fck h TRP 301 CO 0.96 0.00 0.00 0.87 -3.56 0.00 0.00 178.44 176.71 3fck h LYS 302 N 0.00 0.00 -5.83 0.49 1.57 -1.96 -3.42 116.57 107.41 3fck h LYS 302 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 3fck h LYS 302 Cb 0.30 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.53 3fck h LYS 302 CO 0.00 0.00 2.09 -2.00 -0.57 0.00 0.00 179.45 178.97 3fck s GLU 303 N -3.12 3.84 0.00 3.15 2.12 -0.55 -5.05 118.70 119.09 3fck s GLU 303 Ca 0.10 -1.90 0.00 0.00 0.36 0.00 0.00 54.97 53.53 3fck s GLU 303 Cb 0.11 -5.51 0.00 0.00 0.26 0.00 0.00 34.13 29.00 3fck s GLU 303 CO 0.60 -2.41 0.17 1.28 -0.54 0.00 0.00 175.26 174.36