#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s VAL -38 N 0.00 3.07 -0.07 0.00 1.01 -1.26 -5.08 120.40 118.07 3mka s VAL -38 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 3mka s VAL -38 Cb 0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3mka s VAL -38 CO 0.00 0.42 1.32 -0.62 0.00 0.00 0.00 175.10 176.22 3mka s ASP -37 N 1.43 6.93 0.00 3.32 3.68 -1.26 -4.84 116.67 125.92 3mka s ASP -37 Ca 0.05 1.90 0.24 0.00 2.13 0.00 0.00 52.55 56.87 3mka s ASP -37 Cb -0.14 -2.55 0.15 0.00 -1.45 0.00 0.00 42.92 38.93 3mka s ASP -37 CO -0.05 -0.71 1.22 0.18 0.13 0.00 0.00 175.17 175.94 3mka n LEU -36 N 5.84 2.81 -3.47 -1.34 4.77 -1.26 -4.95 117.00 119.39 3mka n LEU -36 Ca 0.13 -0.96 -0.25 0.00 -0.03 0.00 0.00 56.01 54.90 3mka n LEU -36 Cb 0.45 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.58 3mka n LEU -36 CO 0.57 0.48 0.10 -1.20 -1.33 0.00 0.00 177.39 176.00 3mka n SER -35 N 1.09 -5.54 -4.52 -1.43 7.64 -1.26 -4.96 113.62 104.63 3mka n SER -35 Ca 0.13 -0.50 -0.37 0.00 1.01 0.00 0.00 58.87 59.14 3mka n SER -35 Cb 0.57 -4.44 -0.12 0.00 -1.01 0.00 0.00 64.21 59.22 3mka n SER -35 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3mka s SER -34 N -3.04 5.48 0.24 6.43 0.15 -1.26 -4.21 113.70 117.49 3mka s SER -34 Ca 0.50 -0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.99 3mka s SER -34 Cb -0.23 -1.99 0.25 0.00 -1.71 0.00 0.00 66.02 62.34 3mka s SER -34 CO 0.61 -0.01 1.82 0.15 1.20 0.00 0.00 173.24 177.02 3mka h PHE -33 N 8.03 1.13 0.00 3.44 3.57 -1.92 -0.67 116.94 130.51 3mka h PHE -33 Ca -0.37 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.06 3mka h PHE -33 Cb 1.18 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 3mka h PHE -33 CO 0.68 0.84 -0.02 1.79 -2.23 0.00 0.00 178.31 179.37 3mka h THR -32 N 1.10 0.04 0.23 4.41 1.35 -1.94 -1.05 112.91 117.05 3mka h THR -32 Ca 0.26 -0.96 -0.33 0.00 -0.55 0.00 0.00 66.41 64.83 3mka h THR -32 Cb 0.17 1.93 0.03 0.00 -1.73 0.00 0.00 68.15 68.55 3mka h THR -32 CO -0.03 0.02 -1.45 -0.78 -0.25 0.00 0.00 175.52 173.03 3mka h ASP -31 N 0.00 0.77 -0.84 5.36 3.58 -1.91 -2.30 116.42 121.08 3mka h ASP -31 Ca -0.00 -0.83 -0.03 0.00 0.42 0.00 0.00 57.03 56.59 3mka h ASP -31 Cb 0.93 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 3mka h ASP -31 CO 0.00 1.65 0.42 0.15 -2.88 0.00 0.00 179.24 178.58 3mka h PHE -30 N 0.13 1.19 -0.44 0.28 3.57 -0.93 -2.60 116.94 118.15 3mka h PHE -30 Ca -0.24 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 3mka h PHE -30 Cb 2.14 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.49 3mka h PHE -30 CO 0.12 0.86 0.18 -0.07 -2.23 0.00 0.00 178.31 177.16 3mka h LEU -29 N 1.18 0.60 0.24 0.59 3.38 -1.16 -0.07 115.31 120.08 3mka h LEU -29 Ca 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3mka h LEU -29 Cb 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3mka h LEU -29 CO -0.04 0.60 -0.23 0.03 0.09 0.00 0.00 178.44 178.89 3mka h ARG -28 N 0.57 -0.49 -0.56 1.13 3.08 -1.20 3.03 114.38 119.95 3mka h ARG -28 Ca 0.15 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3mka h ARG -28 Cb 0.18 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3mka h ARG -28 CO -0.01 -0.32 0.21 -0.09 -1.07 0.00 0.00 179.97 178.69 3mka h ARG -27 N -0.50 0.84 0.00 0.04 2.43 -1.41 -3.29 114.38 112.49 3mka h ARG -27 Ca -0.01 -0.16 -0.37 0.00 -0.81 0.00 0.00 59.98 58.63 3mka h ARG -27 Cb 0.46 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 3mka h ARG -27 CO -0.05 0.74 -2.40 1.04 -1.51 0.00 0.00 179.97 177.79 3mka n GLN -26 N -4.49 0.64 -3.41 0.20 1.13 -0.05 -4.83 117.38 106.58 3mka n GLN -26 Ca 0.03 0.13 -0.26 0.00 -1.94 0.00 0.00 57.00 54.96 3mka n GLN -26 Cb 0.17 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 28.94 3mka n GLN -26 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mka n ALA -25 N -3.18 3.11 -0.16 -1.58 0.00 1.00 -4.93 120.51 114.77 3mka n ALA -25 Ca -0.43 -3.87 -0.02 0.00 0.00 0.00 0.00 53.44 49.13 3mka n ALA -25 Cb 0.98 -0.85 0.21 0.00 0.00 0.00 0.00 19.45 19.79 3mka n ALA -25 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3mka h PRO -24 N 4.63 0.89 -0.92 0.00 0.13 -1.23 -2.80 132.00 132.71 3mka h PRO -24 Ca 0.16 -0.13 0.01 0.00 -0.87 0.00 0.00 66.00 65.17 3mka h PRO -24 Cb 0.81 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 31.73 3mka h PRO -24 CO 0.58 0.71 0.61 0.93 -0.23 0.00 0.00 178.00 180.60 3mka h GLU -23 N 0.89 1.21 -0.53 0.86 4.39 -1.91 -1.83 114.58 117.65 3mka h GLU -23 Ca 0.22 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3mka h GLU -23 Cb 0.13 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 3mka h GLU -23 CO -0.02 0.80 0.20 -0.07 -1.16 0.00 0.00 179.01 178.76 3mka h LEU -22 N 1.24 0.69 -9.95 1.33 -0.00 -1.84 -3.44 115.31 103.34 3mka h LEU -22 Ca 0.34 -0.08 -0.54 0.00 -0.00 0.00 0.00 57.88 57.59 3mka h LEU -22 Cb -0.14 -0.18 0.11 0.00 -0.00 0.00 0.00 40.66 40.45 3mka h LEU -22 CO -0.07 0.63 0.79 -0.22 -0.00 0.00 0.00 178.44 179.56 3mka s LEU -21 N -9.42 4.31 0.27 1.67 2.96 -0.69 -4.93 118.68 112.85 3mka s LEU -21 Ca -0.09 3.07 -0.03 0.00 -0.22 0.00 0.00 54.13 56.86 3mka s LEU -21 Cb 0.16 -3.67 0.36 0.00 0.50 0.00 0.00 46.19 43.54 3mka s LEU -21 CO 0.78 -0.89 1.85 1.55 -1.32 0.00 0.00 176.35 178.31 3mka h PRO -20 N 2.98 0.97 -6.78 0.98 0.13 -1.86 -3.45 132.00 124.97 3mka h PRO -20 Ca -0.51 -0.16 -0.54 0.00 -0.87 0.00 0.00 66.00 63.92 3mka h PRO -20 Cb 1.24 -0.17 0.09 0.00 0.13 0.00 0.00 31.00 32.29 3mka h PRO -20 CO 0.64 0.79 0.80 0.00 -0.23 0.00 0.00 178.00 180.00 3mka n ALA -19 N -2.44 2.23 -3.08 -0.56 0.00 -1.26 -5.00 120.51 110.39 3mka n ALA -19 Ca 0.06 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.58 3mka n ALA -19 Cb 0.17 -2.42 -0.17 0.00 0.00 0.00 0.00 19.45 17.04 3mka n ALA -19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3mka s SER -18 N 0.33 2.65 0.00 0.00 0.01 -1.26 -5.07 113.70 110.36 3mka s SER -18 Ca 0.63 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.43 3mka s SER -18 Cb -0.52 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 64.71 3mka s SER -18 CO 0.52 0.16 0.00 0.00 0.41 0.00 0.00 173.24 174.32 3mka n ILE -17 N 3.36 0.00 0.00 1.44 0.00 -1.26 -4.22 119.36 118.67 3mka n ILE -17 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.56 3mka n ILE -17 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.17 3mka n ILE -17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mka n ALA -6 N 0.00 0.00 -3.54 1.51 0.00 -1.26 -5.12 120.51 112.10 3mka n ALA -6 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3mka n ALA -6 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3mka n ALA -6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3mka s GLN -5 N 0.00 0.82 0.55 0.00 0.74 -1.26 -5.16 119.66 115.35 3mka s GLN -5 Ca 0.00 0.11 -0.04 0.00 0.05 0.00 0.00 55.36 55.48 3mka s GLN -5 Cb 0.00 0.39 0.00 0.00 1.10 0.00 0.00 33.01 34.50 3mka s GLN -5 CO 0.00 -0.27 0.83 -0.51 -0.55 0.00 0.00 175.29 174.79 3mka s LEU -4 N -1.35 3.36 0.43 3.68 2.01 -1.26 -4.98 118.68 120.58 3mka s LEU -4 Ca -0.04 0.61 -0.23 0.00 0.01 0.00 0.00 54.13 54.47 3mka s LEU -4 Cb -0.00 -3.46 -0.08 0.00 0.01 0.00 0.00 46.19 42.66 3mka s LEU -4 CO 0.03 -0.94 1.13 -2.84 1.01 0.00 0.00 176.35 174.73 3mka s PRO -3 N -4.86 3.92 0.14 1.29 0.02 -1.26 -4.71 135.00 129.54 3mka s PRO -3 Ca 0.52 1.69 -0.24 0.00 0.02 0.00 0.00 61.00 62.99 3mka s PRO -3 Cb -0.10 -2.47 0.08 0.00 0.02 0.00 0.00 34.50 32.03 3mka s PRO -3 CO 0.43 -0.40 1.06 -3.38 -0.33 0.00 0.00 177.00 174.39 3mka s HIS -2 N -1.58 0.01 0.00 6.54 -3.43 -0.60 -2.60 115.29 113.63 3mka s HIS -2 Ca 0.61 -0.34 0.00 0.00 -0.80 0.00 0.00 55.06 54.53 3mka s HIS -2 Cb -0.26 0.66 0.00 0.00 -1.43 0.00 0.00 32.58 31.55 3mka s HIS -2 CO 0.32 -0.80 0.00 0.41 -2.00 0.00 0.00 174.74 172.68 3mka n GLY -1 N -0.64 1.08 3.49 -1.38 0.00 -1.19 -1.57 105.19 104.98 3mka n GLY -1 Ca -0.04 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 3mka n GLY -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mka s ALA 301 N 0.00 -1.64 -0.08 4.61 0.00 -1.26 -4.41 121.76 118.98 3mka s ALA 301 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.56 3mka s ALA 301 Cb 0.00 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.87 3mka s ALA 301 CO 0.00 -0.78 -0.14 0.99 0.00 0.00 0.00 175.76 175.83 3mka s THR 302 N -3.56 1.29 -0.05 0.00 2.01 -1.26 -1.53 115.64 112.54 3mka s THR 302 Ca 0.03 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.50 3mka s THR 302 Cb -0.01 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.33 3mka s THR 302 CO -0.10 0.39 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.48 3mka s ILE 303 N 0.68 1.06 0.17 1.82 1.01 -0.15 -2.57 121.20 123.23 3mka s ILE 303 Ca -0.14 -0.47 0.10 0.00 0.00 0.00 0.00 60.65 60.14 3mka s ILE 303 Cb -0.16 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3mka s ILE 303 CO 0.04 0.33 -0.22 0.68 0.00 0.00 0.00 174.94 175.76 3mka s VAL 304 N 0.42 2.13 -0.10 2.92 -7.23 -0.10 -1.07 120.40 117.37 3mka s VAL 304 Ca -0.09 -1.93 -0.08 0.00 -1.81 0.00 0.00 61.98 58.07 3mka s VAL 304 Cb -0.13 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.87 3mka s VAL 304 CO 0.02 -0.15 0.26 0.00 -0.31 0.00 0.00 175.10 174.93 3mka s ALA 305 N -1.68 -0.63 0.07 1.32 0.00 -0.39 -0.97 121.76 119.48 3mka s ALA 305 Ca 0.17 0.86 -0.05 0.00 0.00 0.00 0.00 51.96 52.94 3mka s ALA 305 Cb -0.08 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 3mka s ALA 305 CO 0.08 -0.16 0.10 -0.48 0.00 0.00 0.00 175.76 175.30 3mka s LEU 306 N 0.59 1.86 -0.13 0.00 0.05 -0.56 -0.72 118.68 119.77 3mka s LEU 306 Ca -0.04 -0.75 -0.05 0.00 0.05 0.00 0.00 54.13 53.35 3mka s LEU 306 Cb -0.05 0.67 -0.04 0.00 -2.05 0.00 0.00 46.19 44.72 3mka s LEU 306 CO -0.03 -0.64 0.04 -0.54 -0.55 0.00 0.00 176.35 174.62 3mka s LYS 307 N -3.63 3.46 0.21 1.48 1.02 -0.38 -0.86 119.74 121.05 3mka s LYS 307 Ca 0.04 -0.36 0.09 0.00 0.02 0.00 0.00 55.97 55.76 3mka s LYS 307 Cb 0.05 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.31 3mka s LYS 307 CO -0.09 0.52 -0.17 1.52 -0.92 0.00 0.00 175.35 176.20 3mka s TYR 308 N -0.34 1.90 0.16 3.18 -0.85 -0.49 -4.96 117.35 115.96 3mka s TYR 308 Ca 0.08 -0.47 -0.32 0.00 -0.52 0.00 0.00 57.07 55.84 3mka s TYR 308 Cb -0.12 -0.89 -0.12 0.00 0.38 0.00 0.00 41.96 41.21 3mka s TYR 308 CO 0.02 0.43 1.76 -2.30 -1.52 0.00 0.00 175.55 173.94 3mka n PRO 309 N -0.16 2.71 -1.01 -3.49 -0.02 -1.26 -0.71 135.00 131.05 3mka n PRO 309 Ca -0.09 0.98 -0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3mka n PRO 309 Cb 0.59 -2.84 -0.00 0.00 -0.02 0.00 0.00 33.50 31.23 3mka n PRO 309 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mka n GLY 310 N 4.03 0.39 3.85 -1.23 0.00 0.37 -4.81 105.19 107.79 3mka n GLY 310 Ca 0.17 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 3mka n GLY 310 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mka s GLY 311 N -2.07 -0.01 -0.05 -0.02 0.00 0.11 -4.10 107.32 101.19 3mka s GLY 311 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 44.72 44.26 3mka s GLY 311 CO 0.00 -0.10 0.22 0.54 0.00 0.00 0.00 173.10 173.75 3mka s VAL 312 N -3.57 0.04 0.06 1.40 0.11 -0.49 -1.40 120.40 116.55 3mka s VAL 312 Ca 0.12 -0.30 0.04 0.00 -2.93 0.00 0.00 61.98 58.91 3mka s VAL 312 Cb -0.06 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 3mka s VAL 312 CO 0.08 -0.17 -0.12 0.54 -3.33 0.00 0.00 175.10 172.10 3mka s VAL 313 N -0.61 0.95 -0.05 2.04 0.11 -0.04 -1.07 120.40 121.73 3mka s VAL 313 Ca -0.07 -1.21 -0.04 0.00 -2.93 0.00 0.00 61.98 57.74 3mka s VAL 313 Cb -0.04 -0.93 0.02 0.00 -1.53 0.00 0.00 36.38 33.90 3mka s VAL 313 CO 0.01 -0.24 0.13 -0.32 -3.33 0.00 0.00 175.10 171.35 3mka s MET 314 N -1.63 0.12 0.04 1.54 1.75 -0.26 -1.49 119.30 119.37 3mka s MET 314 Ca -0.04 0.24 -0.04 0.00 -1.25 0.00 0.00 55.69 54.60 3mka s MET 314 Cb -0.10 -0.03 -0.02 0.00 2.84 0.00 0.00 34.83 37.53 3mka s MET 314 CO 0.02 -0.07 0.06 0.00 -0.65 0.00 0.00 175.02 174.38 3mka s ALA 315 N 0.49 0.03 0.04 4.11 0.00 -0.14 -0.96 121.76 125.34 3mka s ALA 315 Ca -0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 3mka s ALA 315 Cb -0.05 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 3mka s ALA 315 CO -0.02 -0.30 0.08 0.20 0.00 0.00 0.00 175.76 175.72 3mka s GLY 316 N -2.13 0.20 0.93 0.00 0.00 -0.77 -0.93 107.32 104.63 3mka s GLY 316 Ca -0.05 -0.63 -0.14 0.00 0.00 0.00 0.00 44.72 43.90 3mka s GLY 316 CO -0.05 -0.76 1.28 0.51 0.00 0.00 0.00 173.10 174.08 3mka s ASP 317 N -2.22 3.28 0.00 1.64 1.47 -1.06 -1.98 116.67 117.79 3mka s ASP 317 Ca -0.04 0.16 0.06 0.00 1.18 0.00 0.00 52.55 53.92 3mka s ASP 317 Cb -0.00 -0.24 0.02 0.00 -0.34 0.00 0.00 42.92 42.35 3mka s ASP 317 CO -0.05 -2.62 0.57 0.54 0.68 0.00 0.00 175.17 174.29 3mka n ARG 318 N -3.63 1.38 -2.62 2.11 5.12 -1.26 -4.55 116.66 113.21 3mka n ARG 318 Ca 0.15 -0.63 -0.32 0.00 -1.93 0.00 0.00 57.85 55.12 3mka n ARG 318 Cb 0.60 -1.02 -0.05 0.00 -1.16 0.00 0.00 32.46 30.83 3mka n ARG 318 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3mka s ARG 319 N -0.82 4.04 -0.02 5.56 3.52 -1.26 -1.89 118.95 128.08 3mka s ARG 319 Ca 0.06 0.97 -0.00 0.00 -0.13 0.00 0.00 55.73 56.62 3mka s ARG 319 Cb 0.05 -2.19 0.03 0.00 -1.56 0.00 0.00 34.95 31.28 3mka s ARG 319 CO 0.12 -0.14 0.03 0.45 -0.81 0.00 0.00 175.30 174.95 3mka s SER 320 N -2.71 0.26 0.11 -2.12 0.15 -0.52 -4.64 113.70 104.24 3mka s SER 320 Ca 0.59 0.03 0.07 0.00 0.70 0.00 0.00 55.95 57.35 3mka s SER 320 Cb -0.10 -0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 3mka s SER 320 CO 0.24 -0.14 -0.18 0.42 1.20 0.00 0.00 173.24 174.78 3mka s THR 321 N 1.20 1.53 -0.40 6.45 -4.23 -0.61 -0.07 115.64 119.52 3mka s THR 321 Ca -0.07 -1.58 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 3mka s THR 321 Cb -0.13 -1.49 0.11 0.00 1.34 0.00 0.00 72.50 72.34 3mka s THR 321 CO -0.03 -0.20 0.15 -1.10 -0.54 0.00 0.00 174.62 172.90 3mka s GLN 322 N -2.13 1.43 7.13 3.99 -0.21 0.02 -1.56 119.66 128.33 3mka s GLN 322 Ca 0.06 -1.95 0.00 0.00 0.02 0.00 0.00 55.36 53.49 3mka s GLN 322 Cb -0.08 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 31.07 3mka s GLN 322 CO 0.04 -1.03 0.00 0.41 -2.12 0.00 0.00 175.29 172.59 3mka n GLY 323 N 3.93 1.90 0.02 3.09 0.00 -1.26 -2.13 105.19 110.75 3mka n GLY 323 Ca 0.04 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.74 3mka n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mka n ASN 324 N 7.37 0.64 -4.77 1.61 3.02 -1.26 -4.92 115.26 116.95 3mka n ASN 324 Ca 0.00 -0.33 -0.38 0.00 -0.03 0.00 0.00 54.58 53.83 3mka n ASN 324 Cb 0.00 0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 39.91 3mka n ASN 324 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3mka s MET 325 N -3.15 4.72 -0.39 3.52 -1.94 -0.91 -5.00 119.30 116.14 3mka s MET 325 Ca 0.05 1.41 -0.27 0.00 -1.71 0.00 0.00 55.69 55.17 3mka s MET 325 Cb 0.15 -3.03 0.02 0.00 2.01 0.00 0.00 34.83 33.98 3mka s MET 325 CO 0.80 0.39 1.01 0.42 -0.01 0.00 0.00 175.02 177.63 3mka s ILE 326 N -1.40 4.48 -0.13 2.53 1.01 -1.26 -0.80 121.20 125.62 3mka s ILE 326 Ca 0.46 1.28 0.18 0.00 0.00 0.00 0.00 60.65 62.57 3mka s ILE 326 Cb -0.22 -4.42 -0.20 0.00 0.01 0.00 0.00 42.46 37.63 3mka s ILE 326 CO 0.28 -0.65 0.59 -1.54 0.00 0.00 0.00 174.94 173.61 3mka n SER 327 N 7.06 0.51 -3.84 3.58 3.41 0.90 -4.92 113.62 120.32 3mka n SER 327 Ca 0.09 0.22 -0.12 0.00 -0.26 0.00 0.00 58.87 58.81 3mka n SER 327 Cb 0.48 0.68 -0.11 0.00 -0.26 0.00 0.00 64.21 65.00 3mka n SER 327 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3mka s GLY 328 N -4.90 -0.04 0.00 5.00 0.00 -0.63 -4.94 107.32 101.80 3mka s GLY 328 Ca -0.05 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.82 3mka s GLY 328 CO 0.83 0.04 0.60 -0.96 0.00 0.00 0.00 173.10 173.61 3mka n ARG 329 N 2.06 0.82 0.00 2.90 1.85 -1.26 -1.43 116.66 121.60 3mka n ARG 329 Ca -0.19 -0.77 0.00 0.00 -1.00 0.00 0.00 57.85 55.89 3mka n ARG 329 Cb 0.57 -0.80 0.00 0.00 -1.05 0.00 0.00 32.46 31.18 3mka n ARG 329 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3mka n ASP 330 N -0.18 0.68 -4.60 2.89 5.75 -1.18 -4.66 116.55 115.25 3mka n ASP 330 Ca 0.00 -0.94 -0.58 0.00 -0.01 0.00 0.00 54.79 53.26 3mka n ASP 330 Cb 0.25 0.07 -0.07 0.00 -1.03 0.00 0.00 41.12 40.33 3mka n ASP 330 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3mka n VAL 331 N -0.07 0.05 -3.65 2.12 0.31 -0.79 -4.96 118.33 111.33 3mka n VAL 331 Ca 0.00 -0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 63.96 3mka n VAL 331 Cb 0.06 -0.55 -0.09 0.00 -0.91 0.00 0.00 33.84 32.35 3mka n VAL 331 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3mka s ARG 332 N 1.13 4.11 0.00 5.55 3.52 -1.26 -4.22 118.95 127.78 3mka s ARG 332 Ca 0.92 -0.22 0.02 0.00 -0.13 0.00 0.00 55.73 56.32 3mka s ARG 332 Cb -1.16 -3.51 -0.00 0.00 -1.56 0.00 0.00 34.95 28.72 3mka s ARG 332 CO 0.58 0.10 0.35 1.63 -0.81 0.00 0.00 175.30 177.16 3mka n LYS 333 N 4.13 2.60 -4.50 5.12 5.02 -1.26 -4.98 118.16 124.29 3mka n LYS 333 Ca -0.15 -0.34 -0.33 0.00 -2.02 0.00 0.00 58.31 55.47 3mka n LYS 333 Cb 0.52 -0.84 -0.15 0.00 -0.02 0.00 0.00 35.03 34.54 3mka n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mka s VAL 334 N -0.68 2.58 -0.02 -0.18 1.01 -1.26 -2.42 120.40 119.43 3mka s VAL 334 Ca 0.02 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3mka s VAL 334 Cb 0.02 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3mka s VAL 334 CO 0.06 0.52 -0.14 -0.31 0.00 0.00 0.00 175.10 175.22 3mka s TYR 335 N 0.86 1.31 -0.09 5.22 2.02 -0.56 -4.98 117.35 121.13 3mka s TYR 335 Ca -0.05 -0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.08 3mka s TYR 335 Cb -0.15 -0.86 -0.02 0.00 -0.40 0.00 0.00 41.96 40.53 3mka s TYR 335 CO -0.01 -0.05 1.14 0.42 -1.57 0.00 0.00 175.55 175.48 3mka s ILE 336 N -0.24 4.43 -0.57 2.71 1.01 -1.26 -0.90 121.20 126.38 3mka s ILE 336 Ca 0.04 1.73 0.18 0.00 0.00 0.00 0.00 60.65 62.60 3mka s ILE 336 Cb -0.07 -4.11 -0.23 0.00 0.01 0.00 0.00 42.46 38.06 3mka s ILE 336 CO -0.00 -0.02 0.65 0.35 0.00 0.00 0.00 174.94 175.92 3mka n THR 337 N 4.68 0.00 -3.88 2.92 -2.24 -0.04 -4.93 114.28 110.80 3mka n THR 337 Ca 0.11 -0.20 -0.03 0.00 -2.27 0.00 0.00 64.05 61.65 3mka n THR 337 Cb 0.47 0.67 0.02 0.00 -2.10 0.00 0.00 70.33 69.39 3mka n THR 337 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mka s ASP 338 N -3.23 0.00 0.66 3.42 1.47 -1.16 -4.59 116.67 113.24 3mka s ASP 338 Ca 0.02 -0.70 0.40 0.00 1.18 0.00 0.00 52.55 53.45 3mka s ASP 338 Cb 0.13 0.52 2.21 0.00 -0.34 0.00 0.00 42.92 45.45 3mka s ASP 338 CO 0.76 -1.03 2.28 0.44 0.68 0.00 0.00 175.17 178.30 3mka h ASP 339 N 2.00 0.00 0.00 2.11 3.32 -1.95 -2.97 116.42 118.92 3mka h ASP 339 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3mka h ASP 339 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3mka h ASP 339 CO 0.36 0.00 -0.12 -1.22 -1.72 0.00 0.00 179.24 176.54 3mka n TYR 340 N -3.16 0.00 -3.85 4.55 4.01 -1.26 -0.60 117.16 116.85 3mka n TYR 340 Ca -0.03 -0.51 -0.11 0.00 -0.16 0.00 0.00 57.90 57.09 3mka n TYR 340 Cb 0.14 -0.08 -0.09 0.00 -0.31 0.00 0.00 39.34 38.99 3mka n TYR 340 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3mka s THR 341 N -1.38 0.10 0.07 -0.72 -4.23 -1.12 -1.26 115.64 107.09 3mka s THR 341 Ca 0.13 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 59.86 3mka s THR 341 Cb 0.11 -0.73 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 3mka s THR 341 CO 0.01 -0.44 -0.06 0.00 -0.54 0.00 0.00 174.62 173.59 3mka s ALA 342 N -2.06 0.71 0.04 3.99 0.00 0.55 -0.86 121.76 124.13 3mka s ALA 342 Ca -0.09 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.83 3mka s ALA 342 Cb -0.04 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 3mka s ALA 342 CO -0.01 -0.18 -0.13 0.95 0.00 0.00 0.00 175.76 176.39 3mka s THR 343 N -2.76 1.04 -0.05 0.00 -4.23 -0.08 -1.29 115.64 108.28 3mka s THR 343 Ca 0.02 -0.97 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 3mka s THR 343 Cb -0.01 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.88 3mka s THR 343 CO -0.03 -0.02 -0.16 -0.83 -0.54 0.00 0.00 174.62 173.04 3mka s GLY 344 N -1.12 0.89 -0.05 3.99 0.00 -0.63 -1.50 107.32 108.89 3mka s GLY 344 Ca 0.01 -0.61 0.04 0.00 0.00 0.00 0.00 44.72 44.15 3mka s GLY 344 CO 0.01 -0.22 -0.16 -0.42 0.00 0.00 0.00 173.10 172.32 3mka s ILE 345 N 0.22 1.35 0.09 0.90 1.01 -1.02 -0.52 121.20 123.24 3mka s ILE 345 Ca -0.07 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.01 3mka s ILE 345 Cb -0.13 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 3mka s ILE 345 CO 0.03 0.40 -0.19 0.00 0.00 0.00 0.00 174.94 175.17 3mka s ALA 346 N 0.24 2.62 0.00 9.38 0.00 -0.98 -4.94 121.76 128.08 3mka s ALA 346 Ca -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.57 3mka s ALA 346 Cb -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.34 3mka s ALA 346 CO 0.03 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.78 3mka n GLY 347 N 1.06 0.19 3.71 0.00 0.00 -1.26 -1.52 105.19 107.36 3mka n GLY 347 Ca -0.16 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 3mka n GLY 347 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mka s THR 348 N -0.55 2.45 0.15 2.61 2.01 -0.74 -3.16 115.64 118.41 3mka s THR 348 Ca 0.00 0.18 -0.13 0.00 0.31 0.00 0.00 61.69 62.04 3mka s THR 348 Cb 0.00 -3.11 0.03 0.00 0.01 0.00 0.00 72.50 69.42 3mka s THR 348 CO 0.00 0.01 1.66 0.00 -0.69 0.00 0.00 174.62 175.60 3mka h ALA 349 N 7.60 0.65 -0.11 7.40 0.00 -1.84 -1.11 119.26 131.85 3mka h ALA 349 Ca -0.44 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3mka h ALA 349 Cb 1.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3mka h ALA 349 CO 0.94 0.32 0.07 0.00 0.00 0.00 0.00 179.25 180.59 3mka h ALA 350 N 1.00 0.14 -0.63 0.00 0.00 -1.90 -0.34 119.26 117.53 3mka h ALA 350 Ca 0.16 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3mka h ALA 350 Cb 0.30 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3mka h ALA 350 CO -0.00 -0.36 0.26 0.28 0.00 0.00 0.00 179.25 179.43 3mka h VAL 351 N 0.14 1.23 -0.62 0.00 2.07 -1.90 -1.10 116.25 116.07 3mka h VAL 351 Ca 0.04 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3mka h VAL 351 Cb 0.00 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3mka h VAL 351 CO -0.01 0.28 0.31 0.00 0.02 0.00 0.00 177.57 178.18 3mka h ALA 352 N 1.11 0.80 -0.54 1.67 0.00 -0.79 -0.84 119.26 120.67 3mka h ALA 352 Ca 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3mka h ALA 352 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3mka h ALA 352 CO -0.02 0.35 0.17 -0.24 0.00 0.00 0.00 179.25 179.52 3mka h VAL 353 N 0.86 1.23 -0.77 0.00 3.04 -0.67 -1.55 116.25 118.39 3mka h VAL 353 Ca 0.22 -0.79 -0.03 0.00 -1.01 0.00 0.00 66.70 65.09 3mka h VAL 353 Cb 0.10 0.72 -0.04 0.00 -2.01 0.00 0.00 31.29 30.06 3mka h VAL 353 CO -0.03 0.29 0.37 -0.33 -1.01 0.00 0.00 177.57 176.87 3mka h GLU 354 N 0.75 1.10 -0.71 4.17 5.08 -0.81 -2.63 114.58 121.53 3mka h GLU 354 Ca 0.18 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3mka h GLU 354 Cb 0.27 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3mka h GLU 354 CO -0.01 0.85 0.39 0.74 -1.00 0.00 0.00 179.01 179.98 3mka h PHE 355 N 1.08 0.95 -0.79 4.33 -1.00 -0.64 -2.03 116.94 118.85 3mka h PHE 355 Ca 0.26 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 61.01 3mka h PHE 355 Cb 0.11 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 39.33 3mka h PHE 355 CO 0.01 0.66 0.42 0.00 -1.61 0.00 0.00 178.31 177.80 3mka h ALA 356 N 1.44 1.01 0.00 2.45 0.00 -0.91 -1.98 119.26 121.28 3mka h ALA 356 Ca 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3mka h ALA 356 Cb 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3mka h ALA 356 CO -0.04 0.54 -0.00 -0.09 0.00 0.00 0.00 179.25 179.65 3mka h ARG 357 N 1.10 -0.01 -0.27 0.00 2.43 -1.53 -2.81 114.38 113.30 3mka h ARG 357 Ca 0.28 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.47 3mka h ARG 357 Cb 0.05 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3mka h ARG 357 CO -0.04 0.55 0.10 1.25 -1.51 0.00 0.00 179.97 180.31 3mka h LEU 358 N -0.57 0.11 -1.37 3.80 5.85 -1.36 -1.62 115.31 120.15 3mka h LEU 358 Ca -0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3mka h LEU 358 Cb 0.56 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3mka h LEU 358 CO 0.00 0.10 0.27 0.22 -0.34 0.00 0.00 178.44 178.68 3mka h TYR 359 N 0.22 0.68 -0.23 1.25 3.20 -1.40 0.69 116.97 121.37 3mka h TYR 359 Ca 0.12 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.84 3mka h TYR 359 Cb 0.08 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3mka h TYR 359 CO -0.13 0.48 -0.44 0.00 -1.64 0.00 0.00 178.16 176.44 3mka h ALA 360 N 1.59 0.80 -0.20 1.82 0.00 -1.16 -1.90 119.26 120.22 3mka h ALA 360 Ca 0.18 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3mka h ALA 360 Cb 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3mka h ALA 360 CO -0.03 0.66 -0.25 0.28 0.00 0.00 0.00 179.25 179.91 3mka h VAL 361 N 0.46 1.33 -1.00 0.00 2.07 -0.70 -2.63 116.25 115.78 3mka h VAL 361 Ca 0.03 -1.43 0.12 0.00 0.82 0.00 0.00 66.70 66.24 3mka h VAL 361 Cb 0.95 1.80 -0.09 0.00 -1.52 0.00 0.00 31.29 32.43 3mka h VAL 361 CO 0.09 0.44 0.63 -0.08 0.02 0.00 0.00 177.57 178.66 3mka h GLU 362 N 0.19 0.95 -0.07 1.57 4.57 -0.74 -0.81 114.58 120.24 3mka h GLU 362 Ca 0.03 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3mka h GLU 362 Cb 0.81 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3mka h GLU 362 CO 0.06 0.63 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.42 3mka h LEU 363 N 0.98 0.15 -1.21 1.64 4.07 -1.24 -2.88 115.31 116.81 3mka h LEU 363 Ca 0.50 -0.40 -0.05 0.00 0.08 0.00 0.00 57.88 58.01 3mka h LEU 363 Cb 0.52 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 3mka h LEU 363 CO -0.27 0.52 -0.23 -0.08 -1.08 0.00 0.00 178.44 177.30 3mka h GLU 364 N -0.21 0.00 -0.13 1.13 4.81 -1.21 -2.75 114.58 116.22 3mka h GLU 364 Ca 0.02 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3mka h GLU 364 Cb 0.45 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 3mka h GLU 364 CO 0.01 0.23 -0.10 1.25 -0.73 0.00 0.00 179.01 179.67 3mka h HIS 365 N 0.00 0.35 -0.87 0.92 2.76 -1.13 -1.26 115.15 115.93 3mka h HIS 365 Ca -0.00 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.07 3mka h HIS 365 Cb 0.70 -0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.54 3mka h HIS 365 CO 0.00 0.68 0.53 -0.92 -1.30 0.00 0.00 177.93 176.92 3mka h TYR 366 N -0.08 1.14 -0.54 5.26 3.20 -1.37 -0.55 116.97 124.03 3mka h TYR 366 Ca 0.02 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3mka h TYR 366 Cb 0.61 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3mka h TYR 366 CO 0.08 0.75 0.20 1.49 -1.64 0.00 0.00 178.16 179.04 3mka h GLU 367 N 1.19 0.81 -0.41 1.82 4.81 -1.30 -0.42 114.58 121.09 3mka h GLU 367 Ca 0.31 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 3mka h GLU 367 Cb -0.06 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3mka h GLU 367 CO -0.06 0.72 -0.21 0.87 -0.73 0.00 0.00 179.01 179.61 3mka h LYS 368 N 0.73 0.80 -0.28 1.92 1.57 -0.87 0.62 116.57 121.07 3mka h LYS 368 Ca 0.18 -0.32 -0.15 0.00 -1.87 0.00 0.00 60.65 58.48 3mka h LYS 368 Cb 0.23 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3mka h LYS 368 CO -0.01 0.94 -0.45 -0.07 -0.57 0.00 0.00 179.45 179.29 3mka h LEU 369 N 0.70 0.77 -1.19 2.94 3.38 -0.77 -3.30 115.31 117.84 3mka h LEU 369 Ca 0.10 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3mka h LEU 369 Cb 0.72 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3mka h LEU 369 CO 0.06 1.11 -0.22 -0.62 0.09 0.00 0.00 178.44 178.85 3mka n GLU 370 N -4.02 1.57 -0.77 1.13 -0.58 -0.20 -4.97 120.64 112.80 3mka n GLU 370 Ca -0.02 -1.10 0.00 0.00 -0.42 0.00 0.00 57.16 55.62 3mka n GLU 370 Cb 0.56 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 3mka n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mka n GLY 371 N 1.11 0.73 3.06 0.62 0.00 0.22 -4.95 105.19 105.97 3mka n GLY 371 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 3mka n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mka s VAL 372 N -2.90 -0.01 0.68 1.61 0.11 -1.15 -4.97 120.40 113.77 3mka s VAL 372 Ca 0.00 0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 58.93 3mka s VAL 372 Cb 0.00 -0.29 0.01 0.00 -1.53 0.00 0.00 36.38 34.57 3mka s VAL 372 CO 0.00 0.01 1.13 -2.16 -3.33 0.00 0.00 175.10 170.75 3mka s PRO 373 N 0.29 2.62 0.65 1.54 0.04 -1.26 -4.25 135.00 134.63 3mka s PRO 373 Ca -0.02 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.33 3mka s PRO 373 Cb -0.03 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 3mka s PRO 373 CO -0.01 -1.40 1.21 -0.51 0.04 0.00 0.00 177.00 176.32 3mka s LEU 374 N -4.95 3.51 0.78 -3.56 1.02 -1.26 -5.00 118.68 109.23 3mka s LEU 374 Ca 0.69 2.36 -0.11 0.00 0.02 0.00 0.00 54.13 57.09 3mka s LEU 374 Cb -0.23 -4.59 0.06 0.00 0.02 0.00 0.00 46.19 41.45 3mka s LEU 374 CO 0.42 -1.86 1.08 0.42 0.02 0.00 0.00 176.35 176.44 3mka s THR 375 N -1.78 3.32 0.15 5.49 -4.23 -1.26 -4.78 115.64 112.55 3mka s THR 375 Ca 0.76 0.43 -0.19 0.00 -1.18 0.00 0.00 61.69 61.50 3mka s THR 375 Cb -0.30 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.56 3mka s THR 375 CO 0.38 -0.56 1.67 0.15 -0.54 0.00 0.00 174.62 175.73 3mka h PHE 376 N -1.11 -0.26 -0.77 3.99 3.57 -1.97 0.36 116.94 120.76 3mka h PHE 376 Ca -0.45 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.23 3mka h PHE 376 Cb 1.24 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 40.09 3mka h PHE 376 CO 0.54 -0.17 0.51 0.00 -2.23 0.00 0.00 178.31 176.95 3mka h ALA 377 N 1.18 2.11 -0.28 2.41 0.00 -2.00 -0.17 119.26 122.51 3mka h ALA 377 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3mka h ALA 377 Cb 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3mka h ALA 377 CO -0.32 -0.32 -0.48 0.78 0.00 0.00 0.00 179.25 178.91 3mka h GLY 378 N 0.42 0.82 1.09 0.00 0.00 -1.34 -2.44 103.07 101.63 3mka h GLY 378 Ca 0.38 -0.90 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 3mka h GLY 378 CO -0.12 0.81 0.26 0.50 0.00 0.00 0.00 176.54 177.98 3mka h LYS 379 N 0.59 1.15 -0.59 4.80 1.57 0.38 -2.71 116.57 121.76 3mka h LYS 379 Ca 0.03 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 3mka h LYS 379 Cb 1.05 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3mka h LYS 379 CO 0.10 0.96 0.18 0.82 -0.57 0.00 0.00 179.45 180.94 3mka h ILE 380 N 1.11 1.24 -0.77 1.86 2.04 -1.11 -3.06 117.51 118.81 3mka h ILE 380 Ca 0.25 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3mka h ILE 380 Cb 0.27 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3mka h ILE 380 CO -0.01 0.31 0.40 -1.13 0.00 0.00 0.00 178.15 177.71 3mka h ASN 381 N 0.83 0.98 -0.59 1.72 -0.73 -1.27 -1.13 115.58 115.39 3mka h ASN 381 Ca 0.19 -0.12 -0.02 0.00 1.87 0.00 0.00 56.30 58.22 3mka h ASN 381 Cb 0.29 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 3mka h ASN 381 CO -0.01 0.82 0.28 -0.09 -0.37 0.00 0.00 177.43 178.06 3mka h ARG 382 N 1.07 0.85 -0.70 6.67 9.65 -1.44 -0.58 114.38 129.90 3mka h ARG 382 Ca 0.27 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 3mka h ARG 382 Cb 0.08 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.47 3mka h ARG 382 CO -0.04 0.69 0.21 1.25 2.80 0.00 0.00 179.97 184.88 3mka h LEU 383 N 0.80 1.03 -0.66 3.80 5.85 -1.41 -1.05 115.31 123.68 3mka h LEU 383 Ca 0.20 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3mka h LEU 383 Cb 0.12 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3mka h LEU 383 CO -0.03 0.97 0.34 0.00 -0.34 0.00 0.00 178.44 179.38 3mka h ALA 384 N 1.10 0.85 -0.80 1.25 0.00 -0.74 -1.37 119.26 119.56 3mka h ALA 384 Ca 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3mka h ALA 384 Cb 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3mka h ALA 384 CO -0.01 0.39 0.41 0.82 0.00 0.00 0.00 179.25 180.87 3mka h ILE 385 N 0.91 1.24 -0.68 0.00 2.04 -0.59 -0.81 117.51 119.62 3mka h ILE 385 Ca 0.23 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3mka h ILE 385 Cb 0.08 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 3mka h ILE 385 CO -0.03 0.28 0.29 0.24 0.00 0.00 0.00 178.15 178.93 3mka h MET 386 N 1.12 1.00 -0.68 2.37 2.86 -0.64 -0.24 114.93 120.73 3mka h MET 386 Ca 0.28 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 3mka h MET 386 Cb 0.07 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 3mka h MET 386 CO -0.04 0.82 0.24 0.28 1.06 0.00 0.00 176.91 179.27 3mka h VAL 387 N 0.96 1.24 -0.67 -2.22 2.07 -0.81 -1.30 116.25 115.52 3mka h VAL 387 Ca 0.23 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3mka h VAL 387 Cb 0.18 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3mka h VAL 387 CO -0.02 0.32 0.26 -0.09 0.02 0.00 0.00 177.57 178.05 3mka h ARG 388 N 0.99 1.02 -0.63 1.57 2.43 -0.69 -1.82 114.38 117.25 3mka h ARG 388 Ca 0.23 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3mka h ARG 388 Cb 0.24 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3mka h ARG 388 CO -0.01 0.85 0.32 0.78 -1.51 0.00 0.00 179.97 180.40 3mka h GLY 389 N 0.96 0.95 0.39 2.80 0.00 -0.52 -2.49 103.07 105.16 3mka h GLY 389 Ca 0.22 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3mka h GLY 389 CO -0.02 0.42 0.00 -2.01 0.00 0.00 0.00 176.54 174.93 3mka n ASN 390 N -4.36 0.58 -0.12 0.19 5.15 -0.54 -4.54 115.26 111.62 3mka n ASN 390 Ca 0.06 -1.24 -0.06 0.00 -0.60 0.00 0.00 54.58 52.74 3mka n ASN 390 Cb 0.12 -0.01 0.02 0.00 -0.53 0.00 0.00 39.78 39.38 3mka n ASN 390 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3mka h LEU 391 N 0.89 0.30 -0.25 1.20 5.85 -0.87 -1.74 115.31 120.69 3mka h LEU 391 Ca 0.00 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3mka h LEU 391 Cb 0.19 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 3mka h LEU 391 CO 0.00 0.22 -0.33 0.00 -0.34 0.00 0.00 178.44 177.99 3mka h ALA 392 N 1.21 -0.30 -0.20 1.25 0.00 -1.83 0.82 119.26 120.21 3mka h ALA 392 Ca 0.17 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3mka h ALA 392 Cb 0.07 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3mka h ALA 392 CO -0.11 -0.77 0.13 0.00 0.00 0.00 0.00 179.25 178.50 3mka h ALA 393 N 0.56 1.89 0.00 0.00 0.00 -1.71 -1.78 119.26 118.23 3mka h ALA 393 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3mka h ALA 393 Cb 0.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3mka h ALA 393 CO -0.44 0.09 -0.33 0.00 0.00 0.00 0.00 179.25 178.57 3mka h ALA 394 N 1.88 1.15 0.00 0.00 0.00 0.06 -1.13 119.26 121.22 3mka h ALA 394 Ca 0.08 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3mka h ALA 394 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3mka h ALA 394 CO -0.02 0.41 -0.47 0.52 0.00 0.00 0.00 179.25 179.70 3mka h MET 395 N 0.00 0.00 -0.52 0.00 2.86 -0.34 -2.76 114.93 114.17 3mka h MET 395 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3mka h MET 395 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 3mka h MET 395 CO 0.04 0.47 0.00 1.04 1.06 0.00 0.00 176.91 179.52 3mka n GLN 396 N -3.70 2.30 0.00 1.72 6.02 -0.55 -4.94 117.38 118.22 3mka n GLN 396 Ca -0.01 -1.82 0.00 0.00 -0.01 0.00 0.00 57.00 55.16 3mka n GLN 396 Cb 0.54 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.35 3mka n GLN 396 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mka n GLY 397 N 1.21 1.69 2.32 1.08 0.00 -0.99 -4.95 105.19 105.53 3mka n GLY 397 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3mka n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mka n LEU 398 N 0.00 6.69 -4.74 0.99 4.77 -0.54 -4.75 117.00 119.43 3mka n LEU 398 Ca 0.00 -3.99 -0.41 0.00 -0.03 0.00 0.00 56.01 51.58 3mka n LEU 398 Cb 0.00 -1.36 -0.04 0.00 -2.33 0.00 0.00 43.42 39.69 3mka n LEU 398 CO 0.00 1.83 0.78 -0.22 -1.33 0.00 0.00 177.39 178.45 3mka s LEU 399 N -1.20 4.49 -0.27 2.23 2.96 -1.26 -4.13 118.68 121.50 3mka s LEU 399 Ca 0.62 2.05 -0.01 0.00 -0.22 0.00 0.00 54.13 56.57 3mka s LEU 399 Cb 0.30 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 43.47 3mka s LEU 399 CO -0.11 -0.20 0.06 0.00 -1.32 0.00 0.00 176.35 174.77 3mka s ALA 400 N -0.20 1.45 -0.47 5.97 0.00 -1.26 -1.80 121.76 125.45 3mka s ALA 400 Ca 0.49 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 3mka s ALA 400 Cb -0.29 -1.47 0.11 0.00 0.00 0.00 0.00 23.12 21.48 3mka s ALA 400 CO 0.34 -1.45 0.36 -1.17 0.00 0.00 0.00 175.76 173.84 3mka s LEU 401 N 1.65 5.69 0.41 0.00 2.96 -0.57 -4.97 118.68 123.85 3mka s LEU 401 Ca 0.04 -1.79 -0.13 0.00 -0.22 0.00 0.00 54.13 52.04 3mka s LEU 401 Cb -0.17 -2.05 -0.07 0.00 0.50 0.00 0.00 46.19 44.39 3mka s LEU 401 CO -0.17 -0.69 0.81 -2.16 -1.32 0.00 0.00 176.35 172.81 3mka s PRO 402 N 1.43 3.86 -0.08 0.98 0.04 -1.26 -2.32 135.00 137.65 3mka s PRO 402 Ca 0.05 0.60 0.04 0.00 0.04 0.00 0.00 61.00 61.73 3mka s PRO 402 Cb -0.26 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 31.93 3mka s PRO 402 CO 0.01 -0.04 -0.19 -1.17 0.04 0.00 0.00 177.00 175.64 3mka s LEU 403 N -3.72 1.91 -0.12 -3.56 2.96 0.32 -3.35 118.68 113.12 3mka s LEU 403 Ca 0.53 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 3mka s LEU 403 Cb -0.10 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 3mka s LEU 403 CO 0.28 0.12 -0.18 -0.22 -1.32 0.00 0.00 176.35 175.03 3mka s LEU 404 N 0.39 2.42 -0.07 -0.68 2.96 0.12 -1.60 118.68 122.23 3mka s LEU 404 Ca -0.15 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.37 3mka s LEU 404 Cb -0.16 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 3mka s LEU 404 CO 0.06 0.15 -0.22 0.00 -1.32 0.00 0.00 176.35 175.02 3mka s ALA 405 N 0.40 2.28 0.16 5.97 0.00 -0.41 -0.89 121.76 129.28 3mka s ALA 405 Ca -0.14 -1.01 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 3mka s ALA 405 Cb -0.17 -0.79 0.03 0.00 0.00 0.00 0.00 23.12 22.19 3mka s ALA 405 CO 0.06 0.40 0.46 0.20 0.00 0.00 0.00 175.76 176.88 3mka s GLY 406 N -0.10 -0.18 -0.13 0.00 0.00 -0.26 -0.33 107.32 106.31 3mka s GLY 406 Ca -0.05 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.56 3mka s GLY 406 CO 0.04 -0.29 -0.18 -0.47 0.00 0.00 0.00 173.10 172.21 3mka s TYR 407 N -3.84 2.71 -0.41 1.90 5.04 -0.39 0.14 117.35 122.51 3mka s TYR 407 Ca 0.06 -0.95 -0.18 0.00 -2.44 0.00 0.00 57.07 53.56 3mka s TYR 407 Cb 0.01 -1.82 0.02 0.00 0.35 0.00 0.00 41.96 40.52 3mka s TYR 407 CO -0.08 -0.39 0.47 0.34 -1.34 0.00 0.00 175.55 174.55 3mka s ASP 408 N 0.54 6.22 0.21 4.32 2.15 -0.86 -4.89 116.67 124.36 3mka s ASP 408 Ca -0.11 -0.55 -0.07 0.00 0.43 0.00 0.00 52.55 52.25 3mka s ASP 408 Cb -0.16 -2.24 0.16 0.00 -0.30 0.00 0.00 42.92 40.38 3mka s ASP 408 CO 0.04 -0.59 1.72 0.16 -0.17 0.00 0.00 175.17 176.33 3mka h ILE 409 N 5.73 1.26 0.00 4.11 3.07 -1.98 -2.90 117.51 126.80 3mka h ILE 409 Ca -0.27 -1.01 0.00 0.00 1.55 0.00 0.00 64.86 65.14 3mka h ILE 409 Cb 1.11 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.30 3mka h ILE 409 CO 0.80 0.38 0.00 1.41 -1.05 0.00 0.00 178.15 179.69 3mka n HIS 410 N -4.22 0.44 -1.93 0.16 8.25 -1.26 -4.82 115.22 111.84 3mka n HIS 410 Ca 0.04 0.16 -0.40 0.00 -0.26 0.00 0.00 57.72 57.27 3mka n HIS 410 Cb 0.28 -0.76 0.01 0.00 1.12 0.00 0.00 29.99 30.64 3mka n HIS 410 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mka s ALA 411 N -3.13 3.26 0.22 -1.41 0.00 -1.10 -4.92 121.76 114.68 3mka s ALA 411 Ca 0.08 1.35 -0.07 0.00 0.00 0.00 0.00 51.96 53.32 3mka s ALA 411 Cb 0.11 -3.54 0.19 0.00 0.00 0.00 0.00 23.12 19.88 3mka s ALA 411 CO 0.40 -1.00 1.79 0.66 0.00 0.00 0.00 175.76 177.61 3mka h SER 412 N 2.52 1.09 -3.68 0.00 4.64 -1.90 -3.41 113.55 112.81 3mka h SER 412 Ca -0.50 -0.16 -0.64 0.00 -0.47 0.00 0.00 61.79 60.02 3mka h SER 412 Cb 1.25 -0.28 -0.15 0.00 -0.31 0.00 0.00 62.40 62.91 3mka h SER 412 CO 0.62 0.95 -0.21 -1.81 -0.87 0.00 0.00 176.83 175.51 3mka s ASP 413 N -6.36 6.25 0.18 4.97 1.11 -1.26 -4.95 116.67 116.60 3mka s ASP 413 Ca -0.12 0.09 -0.11 0.00 0.18 0.00 0.00 52.55 52.59 3mka s ASP 413 Cb 0.16 -2.22 0.08 0.00 1.07 0.00 0.00 42.92 42.01 3mka s ASP 413 CO 0.84 -0.28 1.70 1.55 1.18 0.00 0.00 175.17 180.16 3mka h PRO 414 N 8.30 0.96 -0.68 8.23 0.13 -1.94 -1.19 132.00 145.82 3mka h PRO 414 Ca -0.30 -0.21 -0.07 0.00 -0.87 0.00 0.00 66.00 64.54 3mka h PRO 414 Cb 1.15 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 3mka h PRO 414 CO 0.68 0.86 0.15 1.96 -0.23 0.00 0.00 178.00 181.41 3mka h GLN 415 N 0.89 1.10 -0.60 0.86 1.08 -1.91 -3.06 115.11 113.47 3mka h GLN 415 Ca 0.20 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3mka h GLN 415 Cb 0.30 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3mka h GLN 415 CO -0.01 0.98 0.00 -1.13 -0.95 0.00 0.00 178.83 177.73 3mka n SER 416 N -4.23 3.27 -0.11 1.46 3.41 -1.14 0.14 113.62 116.42 3mka n SER 416 Ca 0.05 -2.05 -0.00 0.00 -0.26 0.00 0.00 58.87 56.61 3mka n SER 416 Cb 0.27 -0.41 0.26 0.00 -0.26 0.00 0.00 64.21 64.07 3mka n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mka h ALA 417 N 4.06 1.38 -2.96 7.33 0.00 -1.10 -3.45 119.26 124.52 3mka h ALA 417 Ca 0.00 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 54.23 3mka h ALA 417 Cb 0.85 -0.22 0.12 0.00 0.00 0.00 0.00 17.79 18.54 3mka h ALA 417 CO 0.02 0.47 0.70 0.41 0.00 0.00 0.00 179.25 180.85 3mka n GLY 418 N -1.10 1.00 3.02 0.00 0.00 -1.26 -2.03 105.19 104.82 3mka n GLY 418 Ca 0.04 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 3mka n GLY 418 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mka s ARG 419 N -2.41 0.66 -0.09 1.61 1.81 0.38 -4.92 118.95 115.99 3mka s ARG 419 Ca 0.61 -0.36 0.00 0.00 -1.72 0.00 0.00 55.73 54.26 3mka s ARG 419 Cb -0.45 -0.63 0.02 0.00 -0.45 0.00 0.00 34.95 33.44 3mka s ARG 419 CO 0.58 0.17 -0.07 0.42 -0.68 0.00 0.00 175.30 175.71 3mka s ILE 420 N -0.33 0.93 -0.07 1.52 1.01 -1.26 -1.10 121.20 121.90 3mka s ILE 420 Ca 0.02 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.42 3mka s ILE 420 Cb -0.04 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.50 3mka s ILE 420 CO -0.00 0.34 -0.11 -0.69 0.00 0.00 0.00 174.94 174.48 3mka s VAL 421 N 1.46 1.09 0.20 2.92 1.01 -0.06 -1.42 120.40 125.58 3mka s VAL 421 Ca -0.00 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.61 3mka s VAL 421 Cb -0.13 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3mka s VAL 421 CO -0.05 0.35 0.06 -0.94 0.00 0.00 0.00 175.10 174.53 3mka s SER 422 N 0.81 5.04 -0.04 3.32 1.04 -0.84 -0.70 113.70 122.33 3mka s SER 422 Ca -0.12 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.01 3mka s SER 422 Cb -0.15 -1.16 -0.00 0.00 0.10 0.00 0.00 66.02 64.81 3mka s SER 422 CO 0.02 0.05 -0.16 -0.36 0.98 0.00 0.00 173.24 173.77 3mka s PHE 423 N -1.88 1.58 0.65 5.02 0.08 -1.21 -1.35 117.98 120.86 3mka s PHE 423 Ca 0.30 -0.44 -0.03 0.00 0.12 0.00 0.00 56.93 56.88 3mka s PHE 423 Cb -0.09 -1.07 0.06 0.00 -0.57 0.00 0.00 43.02 41.35 3mka s PHE 423 CO 0.21 -0.15 0.92 0.16 -0.10 0.00 0.00 175.22 176.26 3mka s ASP 424 N 0.03 4.91 0.39 1.36 1.47 0.06 -4.68 116.67 120.21 3mka s ASP 424 Ca -0.03 0.14 0.27 0.00 1.18 0.00 0.00 52.55 54.11 3mka s ASP 424 Cb -0.11 -0.84 1.41 0.00 -0.34 0.00 0.00 42.92 43.05 3mka s ASP 424 CO 0.02 -1.47 1.82 0.00 0.68 0.00 0.00 175.17 176.22 3mka h ALA 425 N -0.33 1.00 -0.23 2.11 0.00 -1.94 -1.45 119.26 118.42 3mka h ALA 425 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3mka h ALA 425 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3mka h ALA 425 CO 0.54 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.79 3mka n ALA 426 N -1.85 2.48 -0.03 0.00 0.00 -1.26 -4.52 120.51 115.32 3mka n ALA 426 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.70 3mka n ALA 426 Cb 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3mka n ALA 426 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mka n GLY 427 N 1.31 0.55 3.75 0.00 0.00 -0.55 -4.51 105.19 105.74 3mka n GLY 427 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3mka n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mka n GLY 428 N -2.00 1.27 3.31 -0.02 0.00 -1.26 -4.74 105.19 101.76 3mka n GLY 428 Ca 0.00 0.43 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 3mka n GLY 428 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3mka s TRP 429 N -0.26 2.20 -0.05 1.61 1.48 -1.26 -0.76 118.94 121.90 3mka s TRP 429 Ca 0.62 -0.41 0.02 0.00 -1.06 0.00 0.00 56.10 55.27 3mka s TRP 429 Cb -0.50 -1.33 0.01 0.00 -1.16 0.00 0.00 33.47 30.49 3mka s TRP 429 CO 0.52 0.09 -0.09 1.21 -4.06 0.00 0.00 176.95 174.62 3mka s ASN 430 N -1.10 1.34 -0.01 -2.66 2.47 -0.46 -4.98 114.94 109.54 3mka s ASN 430 Ca 0.10 -0.21 -0.23 0.00 0.42 0.00 0.00 52.86 52.95 3mka s ASN 430 Cb -0.10 -0.58 -0.05 0.00 -1.45 0.00 0.00 41.25 39.08 3mka s ASN 430 CO 0.01 0.01 0.68 -0.63 -3.72 0.00 0.00 177.10 173.45 3mka s ILE 431 N 0.64 4.91 -0.22 -5.21 1.09 -1.26 -1.98 121.20 119.17 3mka s ILE 431 Ca -0.11 1.41 -0.16 0.00 -1.10 0.00 0.00 60.65 60.69 3mka s ILE 431 Cb -0.14 -4.02 -0.04 0.00 -1.06 0.00 0.00 42.46 37.21 3mka s ILE 431 CO 0.02 0.34 0.43 -1.61 -0.10 0.00 0.00 174.94 174.02 3mka s GLU 432 N 0.21 4.13 0.02 2.79 0.41 -0.51 -4.92 118.70 120.83 3mka s GLU 432 Ca 0.35 0.23 0.23 0.00 -0.41 0.00 0.00 54.97 55.37 3mka s GLU 432 Cb -0.19 -3.58 0.17 0.00 -1.78 0.00 0.00 34.13 28.76 3mka s GLU 432 CO 0.19 -0.14 1.16 0.39 -0.49 0.00 0.00 175.26 176.37 3mka n GLU 433 N 4.83 0.08 0.04 1.61 -0.58 -1.26 -4.19 120.64 121.17 3mka n GLU 433 Ca -0.07 -0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.77 3mka n GLU 433 Cb 0.51 -1.53 0.43 0.00 -0.57 0.00 0.00 31.44 30.28 3mka n GLU 433 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3mka n GLU 434 N -1.64 0.06 0.00 3.49 -0.58 -1.26 -4.92 120.64 115.80 3mka n GLU 434 Ca 0.04 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 3mka n GLU 434 Cb 0.36 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 3mka n GLU 434 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mka n GLY 435 N 0.47 0.95 3.34 0.62 0.00 -1.26 -5.04 105.19 104.27 3mka n GLY 435 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3mka n GLY 435 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mka s TYR 436 N -2.24 -0.28 0.19 1.61 -0.85 -1.26 -1.24 117.35 113.27 3mka s TYR 436 Ca 0.00 0.05 -0.20 0.00 -0.52 0.00 0.00 57.07 56.40 3mka s TYR 436 Cb 0.00 0.31 0.04 0.00 0.38 0.00 0.00 41.96 42.69 3mka s TYR 436 CO 0.00 -0.70 0.57 -1.14 -1.52 0.00 0.00 175.55 172.76 3mka s GLN 437 N -3.52 1.40 0.06 -3.49 2.00 0.10 -4.98 119.66 111.23 3mka s GLN 437 Ca 0.01 -0.75 -0.15 0.00 -2.00 0.00 0.00 55.36 52.47 3mka s GLN 437 Cb 0.01 0.56 0.02 0.00 0.80 0.00 0.00 33.01 34.40 3mka s GLN 437 CO -0.10 -0.61 0.33 0.00 -0.50 0.00 0.00 175.29 174.42 3mka s ALA 438 N -3.84 -0.75 0.05 1.58 0.00 -1.26 -1.26 121.76 116.28 3mka s ALA 438 Ca 0.06 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 3mka s ALA 438 Cb -0.02 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.51 3mka s ALA 438 CO -0.05 -0.48 0.10 0.14 0.00 0.00 0.00 175.76 175.47 3mka s VAL 439 N -2.93 0.15 0.00 0.00 -7.23 -0.23 -4.89 120.40 105.27 3mka s VAL 439 Ca -0.02 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 3mka s VAL 439 Cb 0.00 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.84 3mka s VAL 439 CO -0.06 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 174.67 3mka n GLY 440 N 0.47 1.06 0.32 2.32 0.00 -1.26 -0.97 105.19 107.13 3mka n GLY 440 Ca -0.17 -2.24 0.21 0.00 0.00 0.00 0.00 46.02 43.81 3mka n GLY 440 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mka h SER 441 N 0.00 0.00 -0.11 1.61 4.64 -1.66 -2.36 113.55 115.67 3mka h SER 441 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mka h SER 441 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mka h SER 441 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3mka n GLY 442 N -0.85 4.16 0.31 -0.77 0.00 -1.26 -4.71 105.19 102.07 3mka n GLY 442 Ca -0.02 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.24 3mka n GLY 442 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mka h SER 443 N 0.71 0.15 -0.30 1.61 4.64 -1.65 -1.62 113.55 117.10 3mka h SER 443 Ca 0.00 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3mka h SER 443 Cb 1.03 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3mka h SER 443 CO 0.07 0.10 -0.14 -0.07 -0.87 0.00 0.00 176.83 175.92 3mka h LEU 444 N 0.18 0.63 -0.36 5.97 4.07 -1.84 -0.34 115.31 123.61 3mka h LEU 444 Ca 0.13 -0.40 -0.00 0.00 0.08 0.00 0.00 57.88 57.68 3mka h LEU 444 Cb 0.30 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 3mka h LEU 444 CO -0.02 0.90 0.21 -0.26 -1.08 0.00 0.00 178.44 178.19 3mka h PHE 445 N 0.37 0.48 -0.51 1.13 0.04 -1.71 -1.37 116.94 115.37 3mka h PHE 445 Ca 0.07 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.86 3mka h PHE 445 Cb 0.65 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.61 3mka h PHE 445 CO 0.06 0.36 0.30 0.00 -0.60 0.00 0.00 178.31 178.43 3mka h ALA 446 N 1.08 0.65 -0.52 2.45 0.00 -1.21 -1.49 119.26 120.22 3mka h ALA 446 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3mka h ALA 446 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3mka h ALA 446 CO -0.02 0.01 0.03 0.87 0.00 0.00 0.00 179.25 180.14 3mka h LYS 447 N 0.60 0.85 -0.00 0.00 1.57 -0.83 -0.83 116.57 117.93 3mka h LYS 447 Ca 0.20 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 3mka h LYS 447 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3mka h LYS 447 CO -0.09 0.83 -0.51 0.77 -0.57 0.00 0.00 179.45 179.88 3mka h SER 448 N 0.80 0.00 -0.04 0.86 0.02 -0.91 -0.28 113.55 114.00 3mka h SER 448 Ca 0.16 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 3mka h SER 448 Cb 0.43 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3mka h SER 448 CO 0.02 0.51 -0.12 -1.28 -1.14 0.00 0.00 176.83 174.82 3mka h SER 449 N 0.00 0.17 0.09 3.07 0.87 -0.95 -3.16 113.55 113.65 3mka h SER 449 Ca -0.00 -0.61 -0.04 0.00 -1.23 0.00 0.00 61.79 59.91 3mka h SER 449 Cb 0.90 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.80 3mka h SER 449 CO 0.07 0.75 -0.13 0.24 -0.53 0.00 0.00 176.83 177.23 3mka h MET 450 N -0.40 0.10 -0.84 2.24 2.07 -0.91 -1.34 114.93 115.85 3mka h MET 450 Ca -0.00 -0.02 0.11 0.00 -2.07 0.00 0.00 59.70 57.71 3mka h MET 450 Cb 0.74 -0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 30.39 3mka h MET 450 CO 0.03 0.23 0.54 -0.22 1.07 0.00 0.00 176.91 178.56 3mka h LYS 451 N 0.09 0.74 0.18 1.72 3.64 -1.01 0.66 116.57 122.59 3mka h LYS 451 Ca 0.02 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.05 3mka h LYS 451 Cb 0.29 -0.17 0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3mka h LYS 451 CO 0.02 0.49 -1.46 0.87 -2.27 0.00 0.00 179.45 177.09 3mka h LYS 452 N 0.76 0.38 -0.00 1.90 1.79 -1.29 -3.36 116.57 116.75 3mka h LYS 452 Ca 0.39 -0.65 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 3mka h LYS 452 Cb 0.49 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 3mka h LYS 452 CO -0.16 1.31 -0.08 1.28 -1.08 0.00 0.00 179.45 180.72 3mka n LEU 453 N -3.79 0.11 -0.34 2.94 4.77 -0.79 -4.37 117.00 115.52 3mka n LEU 453 Ca -0.21 0.37 -0.02 0.00 -0.03 0.00 0.00 56.01 56.11 3mka n LEU 453 Cb 1.00 -0.42 0.13 0.00 -2.33 0.00 0.00 43.42 41.80 3mka n LEU 453 CO 0.51 0.02 1.26 0.22 -1.33 0.00 0.00 177.39 178.07 3mka h TYR 454 N 0.04 1.21 -0.13 -1.77 3.20 -1.03 -2.09 116.97 116.41 3mka h TYR 454 Ca 0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 3mka h TYR 454 Cb 0.46 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3mka h TYR 454 CO 0.00 0.78 0.25 0.66 -1.64 0.00 0.00 178.16 178.22 3mka h SER 455 N 1.29 0.00 -0.00 -2.11 4.64 -1.85 0.84 113.55 116.36 3mka h SER 455 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3mka h SER 455 Cb -0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3mka h SER 455 CO -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 3mka n GLN 456 N -3.36 1.01 -3.23 4.77 6.02 -0.78 -4.78 117.38 117.02 3mka n GLN 456 Ca 0.00 -0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 3mka n GLN 456 Cb 0.35 -1.43 -0.08 0.00 1.02 0.00 0.00 30.24 30.11 3mka n GLN 456 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3mka s VAL 457 N -2.00 5.04 0.00 5.09 1.01 0.29 -4.82 120.40 125.01 3mka s VAL 457 Ca 0.41 0.64 0.00 0.00 0.00 0.00 0.00 61.98 63.03 3mka s VAL 457 Cb 0.19 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3mka s VAL 457 CO 0.31 -0.06 0.00 0.35 0.00 0.00 0.00 175.10 175.71 3mka n THR 458 N 5.29 0.00 -3.85 3.92 -2.24 -1.26 -4.91 114.28 111.23 3mka n THR 458 Ca -0.04 -0.26 -0.06 0.00 -2.27 0.00 0.00 64.05 61.42 3mka n THR 458 Cb 0.49 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.75 3mka n THR 458 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mka s ASP 459 N -0.52 0.02 0.51 3.42 1.47 -1.26 -4.63 116.67 115.68 3mka s ASP 459 Ca 0.00 -0.92 0.21 0.00 1.18 0.00 0.00 52.55 53.02 3mka s ASP 459 Cb 0.00 0.67 1.35 0.00 -0.34 0.00 0.00 42.92 44.60 3mka s ASP 459 CO 0.00 -1.34 2.11 1.23 0.68 0.00 0.00 175.17 177.85 3mka h GLY 460 N 2.00 0.00 1.36 2.12 0.00 -1.94 -0.31 103.07 106.30 3mka h GLY 460 Ca -0.30 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.72 3mka h GLY 460 CO 0.39 0.00 -1.35 -0.55 0.00 0.00 0.00 176.54 175.03 3mka h ASP 461 N 0.00 0.74 0.26 0.19 3.32 -1.98 -1.08 116.42 117.87 3mka h ASP 461 Ca -0.00 -0.76 -0.18 0.00 0.02 0.00 0.00 57.03 56.11 3mka h ASP 461 Cb 0.17 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3mka h ASP 461 CO 0.01 1.58 -0.71 0.77 -1.72 0.00 0.00 179.24 179.17 3mka h SER 462 N 0.17 0.47 -0.16 6.45 4.64 -1.84 -1.91 113.55 121.37 3mka h SER 462 Ca -0.20 -0.30 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 3mka h SER 462 Cb 2.04 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.97 3mka h SER 462 CO 0.25 1.03 -0.14 1.23 -0.87 0.00 0.00 176.83 178.33 3mka h GLY 463 N 1.29 0.58 2.00 -0.77 0.00 -1.08 -0.59 103.07 104.51 3mka h GLY 463 Ca -0.03 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 3mka h GLY 463 CO 0.12 0.38 -0.45 -2.00 0.00 0.00 0.00 176.54 174.59 3mka h LEU 464 N 0.49 0.00 0.03 3.11 5.85 -0.94 -2.26 115.31 121.59 3mka h LEU 464 Ca 0.09 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3mka h LEU 464 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3mka h LEU 464 CO 0.03 0.45 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.48 3mka h ARG 465 N 0.00 -0.04 -0.33 1.25 2.43 -0.52 -2.63 114.38 114.54 3mka h ARG 465 Ca -0.00 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 3mka h ARG 465 Cb 0.93 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 3mka h ARG 465 CO 0.06 0.61 0.26 0.28 -1.51 0.00 0.00 179.97 179.67 3mka h VAL 466 N -0.74 0.70 -0.07 0.20 2.07 -1.13 -0.71 116.25 116.58 3mka h VAL 466 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3mka h VAL 466 Cb 0.67 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3mka h VAL 466 CO 0.01 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.48 3mka h ALA 467 N 1.78 0.10 -0.09 1.67 0.00 -1.35 -1.76 119.26 119.63 3mka h ALA 467 Ca 0.16 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3mka h ALA 467 Cb 0.68 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3mka h ALA 467 CO -0.00 -0.02 -0.14 0.28 0.00 0.00 0.00 179.25 179.37 3mka h VAL 468 N -0.29 1.15 -0.21 0.00 2.07 -0.99 -2.33 116.25 115.65 3mka h VAL 468 Ca 0.00 -0.68 -0.16 0.00 0.82 0.00 0.00 66.70 66.68 3mka h VAL 468 Cb 0.69 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3mka h VAL 468 CO 0.03 0.20 -0.51 -0.08 0.02 0.00 0.00 177.57 177.23 3mka h GLU 469 N 0.13 0.72 -0.78 1.57 4.81 -1.05 -1.91 114.58 118.07 3mka h GLU 469 Ca 0.03 -0.49 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 3mka h GLU 469 Cb 0.33 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 3mka h GLU 469 CO 0.02 1.11 0.42 0.00 -0.73 0.00 0.00 179.01 179.83 3mka h ALA 470 N 0.61 1.28 0.00 2.92 0.00 -1.07 0.71 119.26 123.70 3mka h ALA 470 Ca -0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3mka h ALA 470 Cb 1.12 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3mka h ALA 470 CO 0.11 0.59 -0.38 1.25 0.00 0.00 0.00 179.25 180.81 3mka h LEU 471 N 1.09 0.00 -0.09 0.00 5.85 -1.39 -1.25 115.31 119.53 3mka h LEU 471 Ca 0.27 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 3mka h LEU 471 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3mka h LEU 471 CO -0.04 0.38 -0.37 0.22 -0.34 0.00 0.00 178.44 178.29 3mka h TYR 472 N 0.00 0.54 -0.39 1.25 3.20 -0.11 -2.30 116.97 119.15 3mka h TYR 472 Ca -0.00 -0.23 -0.03 0.00 3.14 0.00 0.00 58.73 61.60 3mka h TYR 472 Cb 0.76 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3mka h TYR 472 CO 0.00 0.98 0.10 -0.44 -1.64 0.00 0.00 178.16 177.15 3mka h ASP 473 N -0.06 0.53 -0.42 -2.11 3.32 -0.79 -1.69 116.42 115.19 3mka h ASP 473 Ca -0.02 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 3mka h ASP 473 Cb 1.01 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 3mka h ASP 473 CO 0.08 0.53 -0.08 0.00 -1.72 0.00 0.00 179.24 178.04 3mka h ALA 474 N 1.55 0.58 0.00 3.45 0.00 -1.17 -2.93 119.26 120.73 3mka h ALA 474 Ca 0.13 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3mka h ALA 474 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3mka h ALA 474 CO -0.00 0.44 -0.22 0.00 0.00 0.00 0.00 179.25 179.46 3mka h ALA 475 N 0.86 1.27 -0.16 0.00 0.00 -0.78 -1.44 119.26 119.02 3mka h ALA 475 Ca 0.11 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3mka h ALA 475 Cb 0.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3mka h ALA 475 CO 0.04 0.27 -0.35 0.22 0.00 0.00 0.00 179.25 179.43 3mka h ASP 476 N 0.00 0.34 -0.01 0.00 3.58 -1.16 -3.32 116.42 115.86 3mka h ASP 476 Ca -0.00 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.32 3mka h ASP 476 Cb 0.51 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.47 3mka h ASP 476 CO 0.03 0.68 -0.26 0.47 -2.88 0.00 0.00 179.24 177.27 3mka n ASP 477 N -4.07 1.33 -3.90 2.28 8.00 -0.97 -4.94 116.55 114.29 3mka n ASP 477 Ca -0.01 -1.17 -0.26 0.00 0.71 0.00 0.00 54.79 54.07 3mka n ASP 477 Cb 0.45 0.49 -0.17 0.00 -0.02 0.00 0.00 41.12 41.87 3mka n ASP 477 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mka s ASP 478 N -1.57 1.97 0.24 -2.24 2.15 -0.58 -5.01 116.67 111.63 3mka s ASP 478 Ca 0.10 -0.26 0.24 0.00 0.43 0.00 0.00 52.55 53.06 3mka s ASP 478 Cb 0.10 -0.76 0.94 0.00 -0.30 0.00 0.00 42.92 42.90 3mka s ASP 478 CO 0.31 -0.11 1.72 -1.54 -0.17 0.00 0.00 175.17 175.39 3mka n SER 479 N 4.79 0.67 0.07 -0.34 3.41 -1.26 -2.66 113.62 118.30 3mka n SER 479 Ca -0.14 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 3mka n SER 479 Cb 0.50 -0.79 0.36 0.00 -0.26 0.00 0.00 64.21 64.02 3mka n SER 479 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mka n ALA 480 N -1.77 2.55 -2.85 7.33 0.00 -1.26 -4.72 120.51 119.79 3mka n ALA 480 Ca 0.03 -0.12 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 3mka n ALA 480 Cb 0.27 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 3mka n ALA 480 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mka s THR 481 N -3.10 4.73 0.09 0.00 2.01 -1.09 -4.43 115.64 113.85 3mka s THR 481 Ca 0.10 -0.04 -0.16 0.00 0.31 0.00 0.00 61.69 61.90 3mka s THR 481 Cb 0.14 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.41 3mka s THR 481 CO 0.63 0.39 0.53 -0.83 -0.69 0.00 0.00 174.62 174.64 3mka s GLY 482 N 1.01 2.53 0.54 4.40 0.00 -1.26 -4.46 107.32 110.07 3mka s GLY 482 Ca 0.05 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 44.74 3mka s GLY 482 CO 0.03 0.24 0.75 0.61 0.00 0.00 0.00 173.10 174.73 3mka n GLY 483 N 1.29 1.72 3.67 0.20 0.00 -1.26 -4.46 105.19 106.36 3mka n GLY 483 Ca -0.09 -2.18 -0.45 0.00 0.00 0.00 0.00 46.02 43.30 3mka n GLY 483 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mka n PRO 484 N -2.22 2.51 -2.87 1.61 -0.04 -1.26 -4.93 135.00 127.80 3mka n PRO 484 Ca 0.15 0.92 -0.43 0.00 -0.04 0.00 0.00 63.50 64.09 3mka n PRO 484 Cb 0.53 -2.83 -0.03 0.00 -0.04 0.00 0.00 33.50 31.13 3mka n PRO 484 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3mka s ASP 485 N 4.36 6.31 0.42 3.54 -1.08 -0.48 -4.89 116.67 124.85 3mka s ASP 485 Ca 0.91 -1.32 0.23 0.00 -0.52 0.00 0.00 52.55 51.86 3mka s ASP 485 Cb -0.57 -2.41 0.78 0.00 -1.46 0.00 0.00 42.92 39.26 3mka s ASP 485 CO 0.47 -1.33 1.76 -0.07 0.52 0.00 0.00 175.17 176.52 3mka h LEU 486 N 11.10 0.00 -0.25 -1.34 4.07 -1.91 0.54 115.31 127.51 3mka h LEU 486 Ca -0.15 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.63 3mka h LEU 486 Cb 1.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.80 3mka h LEU 486 CO 1.17 0.24 -0.56 0.58 -1.08 0.00 0.00 178.44 178.78 3mka h VAL 487 N 0.00 1.28 0.00 1.22 2.07 -1.97 -3.25 116.25 115.60 3mka h VAL 487 Ca -0.00 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.76 3mka h VAL 487 Cb 0.85 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3mka h VAL 487 CO 0.03 0.57 -1.09 0.54 0.02 0.00 0.00 177.57 177.64 3mka n ARG 488 N -4.04 0.18 -2.70 1.57 1.74 -1.22 -5.01 116.66 107.18 3mka n ARG 488 Ca -0.05 -0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 56.92 3mka n ARG 488 Cb 0.64 -1.53 0.04 0.00 -1.02 0.00 0.00 32.46 30.59 3mka n ARG 488 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mka n GLY 489 N 1.43 0.10 3.34 -0.13 0.00 0.18 -5.04 105.19 105.06 3mka n GLY 489 Ca 0.02 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3mka n GLY 489 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mka s ILE 490 N -3.16 2.81 0.23 -0.61 1.01 -0.74 -5.00 121.20 115.73 3mka s ILE 490 Ca 0.03 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3mka s ILE 490 Cb -0.02 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 3mka s ILE 490 CO 0.33 0.54 -0.01 -0.36 0.00 0.00 0.00 174.94 175.44 3mka s PHE 491 N 0.31 1.56 0.84 3.97 0.08 -1.26 -1.38 117.98 122.09 3mka s PHE 491 Ca -0.12 -0.91 -0.13 0.00 0.12 0.00 0.00 56.93 55.89 3mka s PHE 491 Cb -0.16 -0.90 0.05 0.00 -0.57 0.00 0.00 43.02 41.44 3mka s PHE 491 CO 0.06 -0.02 0.83 -2.30 -0.10 0.00 0.00 175.22 173.69 3mka n PRO 492 N -0.41 0.01 -4.06 0.24 -0.02 -1.26 -4.82 135.00 124.67 3mka n PRO 492 Ca -0.05 0.07 -0.31 0.00 -2.02 0.00 0.00 63.50 61.18 3mka n PRO 492 Cb 0.64 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 3mka n PRO 492 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3mka s THR 493 N -2.21 4.65 0.07 3.45 -4.23 -0.84 -4.94 115.64 111.59 3mka s THR 493 Ca 0.66 -0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 60.52 3mka s THR 493 Cb -0.28 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 3mka s THR 493 CO 0.58 0.19 0.01 0.00 -0.54 0.00 0.00 174.62 174.85 3mka s ALA 494 N -1.34 0.48 -0.02 3.99 0.00 -1.26 -1.84 121.76 121.77 3mka s ALA 494 Ca 0.28 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3mka s ALA 494 Cb -0.12 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3mka s ALA 494 CO 0.20 -0.40 -0.02 0.08 0.00 0.00 0.00 175.76 175.62 3mka s VAL 495 N -3.93 0.25 0.07 0.00 1.01 -0.13 -1.25 120.40 116.42 3mka s VAL 495 Ca 0.09 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 62.11 3mka s VAL 495 Cb 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 3mka s VAL 495 CO -0.08 0.11 -0.26 -0.51 0.00 0.00 0.00 175.10 174.36 3mka s ILE 496 N 0.43 2.09 -0.05 2.22 2.07 -0.39 -1.10 121.20 126.47 3mka s ILE 496 Ca -0.04 -1.48 -0.02 0.00 -1.41 0.00 0.00 60.65 57.71 3mka s ILE 496 Cb -0.07 -1.82 0.03 0.00 0.13 0.00 0.00 42.46 40.73 3mka s ILE 496 CO -0.01 0.25 0.04 -0.63 -1.91 0.00 0.00 174.94 172.68 3mka s ILE 497 N -0.89 0.04 0.00 2.00 1.01 -0.23 -0.25 121.20 122.87 3mka s ILE 497 Ca 0.12 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.09 3mka s ILE 497 Cb -0.10 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.11 3mka s ILE 497 CO 0.03 0.20 0.00 -0.90 0.00 0.00 0.00 174.94 174.27 3mka n ASP 498 N 5.19 0.64 -0.10 3.58 5.68 -1.19 -1.40 116.55 128.95 3mka n ASP 498 Ca -0.06 -0.81 0.26 0.00 -0.50 0.00 0.00 54.79 53.69 3mka n ASP 498 Cb 0.50 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.20 3mka n ASP 498 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mka h ALA 499 N 1.00 2.66 -0.19 2.12 0.00 -1.93 0.30 119.26 123.23 3mka h ALA 499 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mka h ALA 499 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mka h ALA 499 CO 0.00 -0.97 0.00 -0.25 0.00 0.00 0.00 179.25 178.03 3mka n ASP 500 N -4.15 1.01 0.00 0.00 8.00 -1.26 -5.02 116.55 115.13 3mka n ASP 500 Ca 0.15 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.67 3mka n ASP 500 Cb 0.86 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 3mka n ASP 500 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mka n GLY 501 N 0.81 0.69 3.69 0.44 0.00 0.09 -4.99 105.19 105.91 3mka n GLY 501 Ca 0.07 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 3mka n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mka s ALA 502 N -1.29 3.44 0.04 4.61 0.00 0.23 -3.15 121.76 125.64 3mka s ALA 502 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 51.98 3mka s ALA 502 Cb 0.00 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 3mka s ALA 502 CO 0.00 -0.35 -0.14 0.14 0.00 0.00 0.00 175.76 175.41 3mka s VAL 503 N 1.41 1.10 0.10 0.00 -7.23 0.66 -4.98 120.40 111.46 3mka s VAL 503 Ca 0.34 -0.98 -0.30 0.00 -1.81 0.00 0.00 61.98 59.23 3mka s VAL 503 Cb -0.17 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.71 3mka s VAL 503 CO 0.14 0.01 1.21 -1.81 -0.31 0.00 0.00 175.10 174.35 3mka s ASP 504 N -1.10 7.07 0.21 4.85 1.01 -1.26 -1.26 116.67 126.19 3mka s ASP 504 Ca 0.02 2.10 -0.30 0.00 0.71 0.00 0.00 52.55 55.08 3mka s ASP 504 Cb -0.08 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.18 3mka s ASP 504 CO 0.01 -0.45 1.03 -0.69 0.21 0.00 0.00 175.17 175.28 3mka s VAL 505 N 0.71 3.92 0.32 -1.27 1.01 -0.38 -4.92 120.40 119.80 3mka s VAL 505 Ca 0.57 1.80 -0.29 0.00 0.00 0.00 0.00 61.98 64.07 3mka s VAL 505 Cb -0.31 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 31.83 3mka s VAL 505 CO 0.31 0.37 1.22 -2.16 0.00 0.00 0.00 175.10 174.85 3mka s PRO 506 N -0.85 4.42 0.24 2.72 0.04 -1.26 -4.67 135.00 135.63 3mka s PRO 506 Ca 0.45 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.38 3mka s PRO 506 Cb -0.28 -3.06 0.30 0.00 0.04 0.00 0.00 34.50 31.50 3mka s PRO 506 CO 0.35 -0.07 1.58 1.49 0.04 0.00 0.00 177.00 180.39 3mka h GLU 507 N 3.44 -0.03 -0.98 4.56 4.81 -1.94 -1.40 114.58 123.03 3mka h GLU 507 Ca -0.48 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 58.86 3mka h GLU 507 Cb 1.22 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.53 3mka h GLU 507 CO 0.66 -0.02 0.62 0.66 -0.73 0.00 0.00 179.01 180.20 3mka h SER 508 N -0.03 0.91 0.48 1.04 4.64 -1.99 0.20 113.55 118.81 3mka h SER 508 Ca 0.36 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.66 3mka h SER 508 Cb 0.60 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3mka h SER 508 CO -0.86 0.52 -0.27 -0.09 -0.87 0.00 0.00 176.83 175.26 3mka h ARG 509 N 1.00 0.00 0.03 4.77 9.65 -1.64 -1.47 114.38 126.71 3mka h ARG 509 Ca 0.47 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 59.23 3mka h ARG 509 Cb 0.42 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.01 3mka h ARG 509 CO -0.23 0.27 -0.49 0.82 2.80 0.00 0.00 179.97 183.14 3mka h ILE 510 N 0.00 1.51 -0.98 1.20 2.04 -0.75 -2.35 117.51 118.19 3mka h ILE 510 Ca -0.00 -2.14 0.11 0.00 1.00 0.00 0.00 64.86 63.82 3mka h ILE 510 Cb 0.58 2.82 -0.08 0.00 -0.74 0.00 0.00 36.82 39.41 3mka h ILE 510 CO 0.03 0.60 0.62 0.00 0.00 0.00 0.00 178.15 179.41 3mka h ALA 511 N 0.23 1.54 -0.14 1.87 0.00 -0.54 0.12 119.26 122.34 3mka h ALA 511 Ca -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3mka h ALA 511 Cb 1.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3mka h ALA 511 CO 0.09 0.24 0.03 1.49 0.00 0.00 0.00 179.25 181.11 3mka h GLU 512 N 0.99 0.23 -0.80 0.00 4.81 -1.26 -0.78 114.58 117.76 3mka h GLU 512 Ca 0.47 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.68 3mka h GLU 512 Cb 0.43 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 3mka h GLU 512 CO -0.23 0.39 0.53 1.25 -0.73 0.00 0.00 179.01 180.22 3mka h LEU 513 N 0.03 0.83 0.74 1.64 5.85 -0.72 -0.23 115.31 123.45 3mka h LEU 513 Ca 0.04 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3mka h LEU 513 Cb 0.26 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.11 3mka h LEU 513 CO 0.00 0.57 -0.36 0.00 -0.34 0.00 0.00 178.44 178.31 3mka h ALA 514 N 1.54 -1.00 -1.00 1.25 0.00 -0.48 -1.96 119.26 117.61 3mka h ALA 514 Ca 0.32 -0.22 0.24 0.00 0.00 0.00 0.00 54.91 55.25 3mka h ALA 514 Cb 0.08 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 3mka h ALA 514 CO -0.10 -0.93 0.64 0.00 0.00 0.00 0.00 179.25 178.86 3mka h ARG 515 N -1.25 0.44 -0.19 0.00 3.08 -0.91 0.22 114.38 115.76 3mka h ARG 515 Ca -0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3mka h ARG 515 Cb 0.76 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3mka h ARG 515 CO 0.17 0.29 0.07 0.00 -1.07 0.00 0.00 179.97 179.43 3mka h ALA 516 N 1.62 0.25 -0.40 0.04 0.00 -0.82 -0.13 119.26 119.83 3mka h ALA 516 Ca 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 3mka h ALA 516 Cb 1.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3mka h ALA 516 CO -0.28 -0.14 0.18 0.82 0.00 0.00 0.00 179.25 179.83 3mka h ILE 517 N 0.15 1.18 0.24 0.00 2.04 0.07 0.18 117.51 121.38 3mka h ILE 517 Ca 0.06 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 3mka h ILE 517 Cb 0.20 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3mka h ILE 517 CO -0.00 0.20 -0.12 0.40 0.00 0.00 0.00 178.15 178.62 3mka h ILE 518 N 0.50 0.75 -0.85 -0.67 2.04 -0.63 -0.69 117.51 117.95 3mka h ILE 518 Ca 0.14 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.14 3mka h ILE 518 Cb 0.15 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 3mka h ILE 518 CO -0.01 0.00 0.56 -0.08 0.00 0.00 0.00 178.15 178.61 3mka h GLU 519 N -0.33 0.60 0.00 2.37 4.81 -0.85 -0.19 114.58 120.99 3mka h GLU 519 Ca -0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3mka h GLU 519 Cb 0.26 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3mka h GLU 519 CO 0.05 0.39 -0.20 1.03 -0.73 0.00 0.00 179.01 179.56 3mka h SER 520 N 0.61 0.00 1.18 1.04 0.87 -0.54 -3.27 113.55 113.44 3mka h SER 520 Ca 0.43 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.90 3mka h SER 520 Cb 0.76 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 3mka h SER 520 CO -0.18 0.02 -0.85 0.03 -0.53 0.00 0.00 176.83 175.31 3mka h ARG 521 N 0.00 0.00 -0.02 2.24 2.47 0.51 -3.50 114.38 116.08 3mka h ARG 521 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3mka h ARG 521 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 3mka h ARG 521 CO 0.00 0.13 0.00 -1.13 0.56 0.00 0.00 179.97 179.53