#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 2.07 -0.29 0.00 1.01 -1.26 -4.95 120.40 116.98 3mka s VAL -38 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 3mka s VAL -38 Cb 0.00 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3mka s VAL -38 CO 0.00 -0.00 0.39 -0.62 0.00 0.00 0.00 175.10 174.87 3mka s ASP -37 N -0.95 6.25 0.00 3.32 3.68 -1.26 -4.88 116.67 122.83 3mka s ASP -37 Ca 0.72 0.18 0.25 0.00 2.13 0.00 0.00 52.55 55.83 3mka s ASP -37 Cb -0.40 -2.22 0.52 0.00 -1.45 0.00 0.00 42.92 39.37 3mka s ASP -37 CO 0.48 -0.24 1.43 0.18 0.13 0.00 0.00 175.17 177.15 3mka n LEU -36 N 5.39 1.98 -3.63 -1.34 4.77 -1.26 -4.93 117.00 117.99 3mka n LEU -36 Ca -0.08 -0.66 -0.24 0.00 -0.03 0.00 0.00 56.01 55.00 3mka n LEU -36 Cb 0.50 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.64 3mka n LEU -36 CO 0.39 0.34 0.23 -1.20 -1.33 0.00 0.00 177.39 175.81 3mka n SER -35 N 0.34 -6.03 -4.49 -1.43 7.64 -1.26 -4.96 113.62 103.44 3mka n SER -35 Ca 0.14 -0.57 -0.34 0.00 1.01 0.00 0.00 58.87 59.11 3mka n SER -35 Cb 0.45 -4.92 -0.12 0.00 -1.01 0.00 0.00 64.21 58.61 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 -3.37 4.82 0.27 6.43 0.15 -1.26 -4.42 113.70 116.32 3mka s SER -34 Ca 0.57 -0.14 0.02 0.00 0.70 0.00 0.00 55.95 57.09 3mka s SER -34 Cb -0.25 -1.80 0.37 0.00 -1.71 0.00 0.00 66.02 62.63 3mka s SER -34 CO 0.74 0.14 1.70 0.15 1.20 0.00 0.00 173.24 177.17 3mka h PHE -33 N 6.90 0.57 -0.02 3.44 3.57 -1.92 -1.52 116.94 127.97 3mka h PHE -33 Ca -0.33 -0.13 -0.24 0.00 3.53 0.00 0.00 57.97 60.81 3mka h PHE -33 Cb 1.19 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.80 3mka h PHE -33 CO 0.55 0.73 -0.96 1.79 -2.23 0.00 0.00 178.31 178.19 3mka h THR -32 N 0.44 1.34 -0.35 4.41 1.35 -1.94 -1.91 112.91 116.25 3mka h THR -32 Ca 0.06 -2.30 -0.03 0.00 -0.55 0.00 0.00 66.41 63.59 3mka h THR -32 Cb 0.70 2.34 -0.02 0.00 -1.73 0.00 0.00 68.15 69.45 3mka h THR -32 CO 0.05 0.70 0.08 0.44 -0.25 0.00 0.00 175.52 176.54 3mka h ASP -31 N 0.33 0.46 -0.41 5.36 3.32 -1.95 0.74 116.42 124.28 3mka h ASP -31 Ca -0.10 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 3mka h ASP -31 Cb 1.60 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 41.01 3mka h ASP -31 CO 0.18 0.48 -0.05 0.15 -1.72 0.00 0.00 179.24 178.28 3mka h PHE -30 N 0.50 0.83 -0.73 4.55 3.57 -1.18 -2.85 116.94 121.64 3mka h PHE -30 Ca 0.12 -0.16 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 3mka h PHE -30 Cb 0.21 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3mka h PHE -30 CO 0.01 0.85 0.22 -0.07 -2.23 0.00 0.00 178.31 177.08 3mka h LEU -29 N 0.57 1.07 -0.38 0.59 3.38 -0.58 -1.17 115.31 118.79 3mka h LEU -29 Ca 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3mka h LEU -29 Cb 0.55 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3mka h LEU -29 CO 0.03 1.00 0.21 -0.09 0.09 0.00 0.00 178.44 179.68 3mka h ARG -28 N 1.08 0.52 -0.39 1.13 2.43 -0.91 2.42 114.38 120.66 3mka h ARG -28 Ca 0.23 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 3mka h ARG -28 Cb 0.32 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3mka h ARG -28 CO -0.01 0.42 -0.16 0.00 -1.51 0.00 0.00 179.97 178.72 3mka h ARG -27 N 0.48 0.80 0.00 0.20 3.08 -1.30 -3.39 114.38 114.26 3mka h ARG -27 Ca 0.13 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3mka h ARG -27 Cb 0.05 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3mka h ARG -27 CO -0.02 0.96 -1.21 1.04 -1.07 0.00 0.00 179.97 179.67 3mka n GLN -26 N -4.28 0.42 -3.27 0.04 6.02 -0.46 -4.89 117.38 110.97 3mka n GLN -26 Ca -0.02 -0.04 -0.25 0.00 -0.01 0.00 0.00 57.00 56.69 3mka n GLN -26 Cb 0.40 -1.10 -0.07 0.00 1.02 0.00 0.00 30.24 30.48 3mka n GLN -26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mka n ALA -25 N -1.70 2.90 -0.14 -1.58 0.00 0.81 -4.95 120.51 115.85 3mka n ALA -25 Ca -0.01 -3.77 -0.03 0.00 0.00 0.00 0.00 53.44 49.63 3mka n ALA -25 Cb 0.16 -0.83 0.19 0.00 0.00 0.00 0.00 19.45 18.97 3mka n ALA -25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3mka h PRO -24 N 4.14 0.85 -0.71 0.00 0.11 -1.45 -2.96 132.00 131.98 3mka h PRO -24 Ca 0.11 -0.16 0.03 0.00 0.11 0.00 0.00 66.00 66.09 3mka h PRO -24 Cb 0.82 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 3mka h PRO -24 CO 0.56 0.75 0.47 1.49 -0.21 0.00 0.00 178.00 181.06 3mka h GLU -23 N 0.82 0.84 -0.88 1.05 4.81 -1.92 -2.14 114.58 117.15 3mka h GLU -23 Ca 0.18 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3mka h GLU -23 Cb 0.27 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 3mka h GLU -23 CO -0.01 0.55 0.46 -0.07 -0.73 0.00 0.00 179.01 179.22 3mka h LEU -22 N 0.86 1.12 -9.96 1.64 4.07 -1.87 -3.44 115.31 107.73 3mka h LEU -22 Ca 0.28 -0.11 -0.52 0.00 0.08 0.00 0.00 57.88 57.61 3mka h LEU -22 Cb 0.05 -0.29 0.07 0.00 1.08 0.00 0.00 40.66 41.58 3mka h LEU -22 CO -0.08 0.92 0.56 -0.76 -1.08 0.00 0.00 178.44 177.99 3mka s LEU -21 N -9.88 4.15 -1.11 1.67 1.43 -0.81 -4.85 118.68 109.27 3mka s LEU -21 Ca -0.13 2.51 -0.08 0.00 -1.03 0.00 0.00 54.13 55.41 3mka s LEU -21 Cb 0.17 -4.02 -0.11 0.00 0.03 0.00 0.00 46.19 42.26 3mka s LEU -21 CO 0.83 -0.86 2.78 -0.81 0.23 0.00 0.00 176.35 178.52 3mka n PRO -20 N -0.07 2.88 -2.09 1.29 -0.04 -1.26 -4.87 135.00 130.84 3mka n PRO -20 Ca 0.05 -1.73 -0.41 0.00 -0.04 0.00 0.00 63.50 61.37 3mka n PRO -20 Cb 0.45 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.36 3mka n PRO -20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mka s ALA -19 N 2.32 3.53 -0.04 0.55 0.00 -1.26 -5.00 121.76 121.86 3mka s ALA -19 Ca 0.59 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.86 3mka s ALA -19 Cb 0.18 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3mka s ALA -19 CO -0.04 -0.67 -0.13 -1.12 0.00 0.00 0.00 175.76 173.80 3mka s SER -18 N -0.22 1.74 0.00 0.00 0.01 -1.26 -5.13 113.70 108.84 3mka s SER -18 Ca 0.52 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.50 3mka s SER -18 Cb -0.40 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.27 3mka s SER -18 CO 0.50 0.09 0.53 0.00 0.41 0.00 0.00 173.24 174.77 3mka n ILE -17 N 3.36 0.26 -3.68 1.44 3.06 -1.26 -4.42 119.36 118.12 3mka n ILE -17 Ca -0.19 -0.45 -0.32 0.00 -2.50 0.00 0.00 62.75 59.28 3mka n ILE -17 Cb 0.53 1.08 -0.05 0.00 0.54 0.00 0.00 39.64 41.74 3mka n ILE -17 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 3mka s GLN -5 N -0.26 3.63 0.23 9.51 0.74 -1.26 -5.08 119.66 127.17 3mka s GLN -5 Ca 0.00 -0.06 -0.10 0.00 0.05 0.00 0.00 55.36 55.25 3mka s GLN -5 Cb 0.00 -2.91 -0.07 0.00 1.10 0.00 0.00 33.01 31.12 3mka s GLN -5 CO 0.00 0.52 0.56 -0.51 -0.55 0.00 0.00 175.29 175.30 3mka s LEU -4 N -2.39 4.17 0.34 3.68 1.43 -1.26 -4.90 118.68 119.74 3mka s LEU -4 Ca 0.37 0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 54.13 3mka s LEU -4 Cb -0.13 -3.70 -0.12 0.00 0.03 0.00 0.00 46.19 42.28 3mka s LEU -4 CO 0.22 -0.08 1.47 -2.65 0.23 0.00 0.00 176.35 175.55 3mka n PRO -3 N -0.13 2.51 -3.84 1.29 -0.02 -1.26 -4.79 135.00 128.77 3mka n PRO -3 Ca 0.01 0.89 -0.06 0.00 -2.02 0.00 0.00 63.50 62.31 3mka n PRO -3 Cb 0.52 -2.59 0.02 0.00 -0.02 0.00 0.00 33.50 31.43 3mka n PRO -3 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3mka s HIS -2 N -0.73 0.09 0.00 6.00 -3.43 -0.88 -0.76 115.29 115.59 3mka s HIS -2 Ca 0.58 -0.65 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 3mka s HIS -2 Cb -0.52 0.78 0.00 0.00 -1.43 0.00 0.00 32.58 31.41 3mka s HIS -2 CO 0.58 -1.30 0.00 0.41 -2.00 0.00 0.00 174.74 172.43 3mka n GLY -1 N -0.59 0.58 3.44 -1.38 0.00 -1.23 -1.27 105.19 104.74 3mka n GLY -1 Ca -0.06 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.60 -0.08 4.61 0.00 -1.26 -4.45 121.76 118.99 3mka s ALA 301 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.66 3mka s ALA 301 Cb 0.00 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.76 3mka s ALA 301 CO 0.00 -0.65 -0.11 0.99 0.00 0.00 0.00 175.76 175.99 3mka s THR 302 N -3.03 1.13 -0.05 0.00 2.01 -1.26 -1.57 115.64 112.86 3mka s THR 302 Ca -0.02 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.57 3mka s THR 302 Cb -0.01 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.45 3mka s THR 302 CO -0.07 0.36 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.43 3mka s ILE 303 N 0.94 1.40 0.16 1.82 1.01 0.29 -2.77 121.20 124.05 3mka s ILE 303 Ca -0.09 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 59.97 3mka s ILE 303 Cb -0.15 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 3mka s ILE 303 CO 0.00 0.41 -0.19 0.68 0.00 0.00 0.00 174.94 175.84 3mka s VAL 304 N 0.24 1.87 -0.15 2.92 -7.23 -0.24 -0.94 120.40 116.87 3mka s VAL 304 Ca -0.08 -1.88 -0.14 0.00 -1.81 0.00 0.00 61.98 58.07 3mka s VAL 304 Cb -0.13 -1.84 0.04 0.00 0.56 0.00 0.00 36.38 35.01 3mka s VAL 304 CO 0.03 -0.26 0.40 0.00 -0.31 0.00 0.00 175.10 174.97 3mka s ALA 305 N -1.89 -1.00 0.07 1.32 0.00 -0.40 -1.62 121.76 118.25 3mka s ALA 305 Ca 0.15 1.16 -0.07 0.00 0.00 0.00 0.00 51.96 53.21 3mka s ALA 305 Cb -0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 3mka s ALA 305 CO 0.07 -0.20 0.13 -0.48 0.00 0.00 0.00 175.76 175.28 3mka s LEU 306 N 0.29 1.70 -0.15 0.00 0.05 -0.65 -1.03 118.68 118.89 3mka s LEU 306 Ca -0.01 -0.72 -0.05 0.00 0.05 0.00 0.00 54.13 53.41 3mka s LEU 306 Cb -0.03 0.80 -0.03 0.00 -2.05 0.00 0.00 46.19 44.88 3mka s LEU 306 CO -0.00 -0.68 0.00 -0.54 -0.55 0.00 0.00 176.35 174.58 3mka s LYS 307 N -3.76 3.66 0.24 1.48 1.02 0.28 -1.46 119.74 121.20 3mka s LYS 307 Ca 0.05 -0.44 0.08 0.00 0.02 0.00 0.00 55.97 55.68 3mka s LYS 307 Cb 0.05 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 3mka s LYS 307 CO -0.10 0.33 -0.13 1.52 -0.92 0.00 0.00 175.35 176.05 3mka s TYR 308 N 0.14 1.87 0.06 3.18 -0.85 -0.11 -4.95 117.35 116.70 3mka s TYR 308 Ca 0.01 -0.57 -0.34 0.00 -0.52 0.00 0.00 57.07 55.65 3mka s TYR 308 Cb -0.13 -0.92 -0.13 0.00 0.38 0.00 0.00 41.96 41.16 3mka s TYR 308 CO 0.02 0.40 1.70 -2.30 -1.52 0.00 0.00 175.55 173.84 3mka n PRO 309 N -0.48 2.16 -1.48 -3.49 -0.02 -1.26 -0.41 135.00 130.03 3mka n PRO 309 Ca -0.07 0.78 -0.16 0.00 -2.02 0.00 0.00 63.50 62.04 3mka n PRO 309 Cb 0.61 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.80 1.55 3.61 -1.23 0.00 0.46 -4.74 105.19 108.63 3mka n GLY 310 Ca 0.19 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.82 -0.39 -0.01 -0.02 0.00 0.46 -4.27 107.32 100.27 3mka s GLY 311 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.08 3mka s GLY 311 CO 0.00 0.11 -0.06 0.54 0.00 0.00 0.00 173.10 173.68 3mka s VAL 312 N -3.58 0.53 0.10 1.40 0.11 -0.17 -0.94 120.40 117.86 3mka s VAL 312 Ca 0.06 -0.26 0.07 0.00 -2.93 0.00 0.00 61.98 58.92 3mka s VAL 312 Cb -0.02 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 3mka s VAL 312 CO -0.04 0.16 -0.18 0.54 -3.33 0.00 0.00 175.10 172.24 3mka s VAL 313 N -0.01 1.54 -0.08 2.04 0.11 -0.53 -0.79 120.40 122.68 3mka s VAL 313 Ca 0.01 -1.53 -0.05 0.00 -2.93 0.00 0.00 61.98 57.47 3mka s VAL 313 Cb -0.04 -1.46 0.03 0.00 -1.53 0.00 0.00 36.38 33.38 3mka s VAL 313 CO -0.00 -0.15 0.19 -0.32 -3.33 0.00 0.00 175.10 171.49 3mka s MET 314 N -2.00 0.19 0.03 1.54 1.75 -0.52 -1.64 119.30 118.65 3mka s MET 314 Ca 0.05 0.35 -0.02 0.00 -1.25 0.00 0.00 55.69 54.82 3mka s MET 314 Cb -0.09 -0.01 -0.02 0.00 2.84 0.00 0.00 34.83 37.55 3mka s MET 314 CO 0.04 -0.09 0.01 0.00 -0.65 0.00 0.00 175.02 174.33 3mka s ALA 315 N 0.62 0.10 0.03 4.11 0.00 -0.64 -1.05 121.76 124.93 3mka s ALA 315 Ca -0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 3mka s ALA 315 Cb -0.06 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 3mka s ALA 315 CO -0.03 -0.24 0.06 0.20 0.00 0.00 0.00 175.76 175.75 3mka s GLY 316 N -1.86 0.19 1.00 0.00 0.00 -0.65 -1.07 107.32 104.93 3mka s GLY 316 Ca -0.09 -0.55 -0.17 0.00 0.00 0.00 0.00 44.72 43.91 3mka s GLY 316 CO -0.03 -0.67 1.29 0.51 0.00 0.00 0.00 173.10 174.20 3mka s ASP 317 N -1.92 2.75 0.00 1.64 1.47 -1.12 -2.03 116.67 117.47 3mka s ASP 317 Ca -0.08 0.32 0.08 0.00 1.18 0.00 0.00 52.55 54.05 3mka s ASP 317 Cb -0.03 -0.39 0.07 0.00 -0.34 0.00 0.00 42.92 42.23 3mka s ASP 317 CO -0.03 -2.96 0.78 0.54 0.68 0.00 0.00 175.17 174.18 3mka n ARG 318 N -3.93 0.29 -2.58 2.11 5.12 -1.26 -4.55 116.66 111.85 3mka n ARG 318 Ca 0.15 -1.04 -0.34 0.00 -1.93 0.00 0.00 57.85 54.69 3mka n ARG 318 Cb 0.59 -1.16 -0.04 0.00 -1.16 0.00 0.00 32.46 30.70 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 -0.69 3.92 -0.03 5.56 6.06 -1.26 -1.85 118.95 130.66 3mka s ARG 319 Ca 0.10 1.35 -0.01 0.00 -2.50 0.00 0.00 55.73 54.67 3mka s ARG 319 Cb 0.07 -2.18 0.03 0.00 0.06 0.00 0.00 34.95 32.93 3mka s ARG 319 CO 0.10 -0.33 0.06 0.45 -2.50 0.00 0.00 175.30 173.08 3mka s SER 320 N -1.94 0.03 0.11 -2.12 0.15 0.04 -4.68 113.70 105.29 3mka s SER 320 Ca 0.65 0.10 0.07 0.00 0.70 0.00 0.00 55.95 57.47 3mka s SER 320 Cb -0.16 -0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 3mka s SER 320 CO 0.20 -0.13 -0.16 0.42 1.20 0.00 0.00 173.24 174.76 3mka s THR 321 N 1.10 1.45 -0.32 6.45 -4.23 -0.40 0.59 115.64 120.29 3mka s THR 321 Ca -0.09 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 58.83 3mka s THR 321 Cb -0.13 -1.48 0.10 0.00 1.34 0.00 0.00 72.50 72.33 3mka s THR 321 CO -0.04 -0.27 0.07 -1.10 -0.54 0.00 0.00 174.62 172.75 3mka s GLN 322 N -2.28 1.09 7.23 3.99 -0.21 0.24 -2.06 119.66 127.65 3mka s GLN 322 Ca 0.07 -1.44 0.00 0.00 0.02 0.00 0.00 55.36 54.01 3mka s GLN 322 Cb -0.07 -2.56 0.00 0.00 1.00 0.00 0.00 33.01 31.37 3mka s GLN 322 CO 0.04 -0.95 0.00 0.41 -2.12 0.00 0.00 175.29 172.66 3mka n GLY 323 N 4.57 2.23 0.05 3.09 0.00 -1.26 -2.13 105.19 111.74 3mka n GLY 323 Ca 0.00 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 6.89 0.60 -4.76 1.61 3.02 -1.26 -4.91 115.26 116.44 3mka n ASN 324 Ca 0.00 -0.09 -0.39 0.00 -0.03 0.00 0.00 54.58 54.07 3mka n ASN 324 Cb 0.00 0.83 -0.05 0.00 -0.61 0.00 0.00 39.78 39.95 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 -3.25 4.61 -0.39 3.52 -1.94 -0.90 -5.00 119.30 115.95 3mka s MET 325 Ca 0.02 1.65 -0.27 0.00 -1.71 0.00 0.00 55.69 55.38 3mka s MET 325 Cb 0.13 -3.07 0.02 0.00 2.01 0.00 0.00 34.83 33.92 3mka s MET 325 CO 0.81 0.23 0.98 0.42 -0.01 0.00 0.00 175.02 177.45 3mka s ILE 326 N -1.28 4.50 -0.09 2.53 1.01 -1.26 -0.59 121.20 126.01 3mka s ILE 326 Ca 0.46 1.22 0.15 0.00 0.00 0.00 0.00 60.65 62.48 3mka s ILE 326 Cb -0.28 -4.40 -0.21 0.00 0.01 0.00 0.00 42.46 37.58 3mka s ILE 326 CO 0.35 -0.63 0.60 -1.54 0.00 0.00 0.00 174.94 173.72 3mka n SER 327 N 6.99 0.70 -3.82 3.58 3.41 0.20 -4.91 113.62 119.77 3mka n SER 327 Ca 0.08 0.32 -0.12 0.00 -0.26 0.00 0.00 58.87 58.90 3mka n SER 327 Cb 0.48 0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.57 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 -5.07 -0.05 0.00 5.00 0.00 -0.57 -4.93 107.32 101.70 3mka s GLY 328 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.80 3mka s GLY 328 CO 0.82 -0.02 0.52 -0.96 0.00 0.00 0.00 173.10 173.47 3mka n ARG 329 N 1.60 0.34 0.00 2.90 1.85 -1.26 -0.78 116.66 121.31 3mka n ARG 329 Ca -0.21 -0.65 0.00 0.00 -1.00 0.00 0.00 57.85 55.99 3mka n ARG 329 Cb 0.56 -0.83 0.00 0.00 -1.05 0.00 0.00 32.46 31.14 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 -0.13 0.68 -4.52 2.89 5.75 -1.15 -4.62 116.55 115.45 3mka n ASP 330 Ca 0.00 -0.87 -0.53 0.00 -0.01 0.00 0.00 54.79 53.39 3mka n ASP 330 Cb 0.18 0.22 -0.06 0.00 -1.03 0.00 0.00 41.12 40.43 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 -0.22 0.65 -3.98 2.12 0.31 -0.77 -4.96 118.33 111.48 3mka n VAL 331 Ca 0.00 -0.16 -0.35 0.00 -0.01 0.00 0.00 64.34 63.82 3mka n VAL 331 Cb 0.02 -0.39 -0.12 0.00 -0.91 0.00 0.00 33.84 32.44 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 -0.24 3.74 0.00 5.55 3.52 -1.26 -4.23 118.95 126.03 3mka s ARG 332 Ca 0.79 -0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.95 3mka s ARG 332 Cb -1.03 -3.19 0.01 0.00 -1.56 0.00 0.00 34.95 29.17 3mka s ARG 332 CO 0.54 0.03 0.42 1.63 -0.81 0.00 0.00 175.30 177.11 3mka n LYS 333 N 4.23 1.08 -4.71 5.12 5.02 -1.26 -4.97 118.16 122.67 3mka n LYS 333 Ca -0.17 -0.44 -0.33 0.00 -2.02 0.00 0.00 58.31 55.36 3mka n LYS 333 Cb 0.52 -0.91 -0.16 0.00 -0.02 0.00 0.00 35.03 34.46 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 -0.38 2.47 -0.01 -0.18 1.01 -1.26 -2.39 120.40 119.66 3mka s VAL 334 Ca 0.01 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3mka s VAL 334 Cb 0.01 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 3mka s VAL 334 CO 0.03 0.53 -0.10 -0.31 0.00 0.00 0.00 175.10 175.24 3mka s TYR 335 N 0.68 0.95 -0.05 5.22 2.02 -0.52 -4.98 117.35 120.66 3mka s TYR 335 Ca -0.09 -0.19 -0.30 0.00 -0.37 0.00 0.00 57.07 56.13 3mka s TYR 335 Cb -0.16 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.76 3mka s TYR 335 CO 0.02 -0.02 1.13 0.42 -1.57 0.00 0.00 175.55 175.52 3mka s ILE 336 N -0.20 4.44 -0.50 2.71 1.01 -1.26 -0.98 121.20 126.41 3mka s ILE 336 Ca 0.03 1.74 0.17 0.00 0.00 0.00 0.00 60.65 62.59 3mka s ILE 336 Cb -0.05 -4.12 -0.21 0.00 0.01 0.00 0.00 42.46 38.10 3mka s ILE 336 CO -0.00 0.03 0.58 0.35 0.00 0.00 0.00 174.94 175.89 3mka n THR 337 N 4.46 0.00 -3.87 2.92 -2.24 0.54 -4.93 114.28 111.16 3mka n THR 337 Ca 0.10 -0.21 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 3mka n THR 337 Cb 0.47 0.67 0.01 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 -3.07 -0.01 0.65 3.42 1.47 -1.17 -4.59 116.67 113.36 3mka s ASP 338 Ca 0.02 -0.62 0.39 0.00 1.18 0.00 0.00 52.55 53.51 3mka s ASP 338 Cb 0.12 0.48 2.18 0.00 -0.34 0.00 0.00 42.92 45.36 3mka s ASP 338 CO 0.69 -0.95 2.30 0.44 0.68 0.00 0.00 175.17 178.33 3mka h ASP 339 N 2.00 0.00 0.00 2.11 3.32 -1.96 -3.06 116.42 118.83 3mka h ASP 339 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 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 0.35 0.00 -0.09 -1.22 -1.72 0.00 0.00 179.24 176.55 3mka n TYR 340 N -3.30 0.00 -3.80 4.55 4.01 -1.26 -0.72 117.16 116.64 3mka n TYR 340 Ca -0.03 -0.60 -0.11 0.00 -0.16 0.00 0.00 57.90 57.00 3mka n TYR 340 Cb 0.11 -0.09 -0.08 0.00 -0.31 0.00 0.00 39.34 38.97 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 -1.64 0.09 0.03 -0.72 -4.23 -1.16 -1.25 115.64 106.77 3mka s THR 341 Ca 0.16 -0.73 -0.00 0.00 -1.18 0.00 0.00 61.69 59.93 3mka s THR 341 Cb 0.14 -0.83 -0.03 0.00 1.34 0.00 0.00 72.50 73.12 3mka s THR 341 CO 0.01 -0.40 -0.03 0.00 -0.54 0.00 0.00 174.62 173.66 3mka s ALA 342 N -2.25 0.29 -0.03 3.99 0.00 0.62 -0.34 121.76 124.05 3mka s ALA 342 Ca -0.07 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.11 3mka s ALA 342 Cb -0.02 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 3mka s ALA 342 CO -0.02 -0.22 -0.12 0.95 0.00 0.00 0.00 175.76 176.36 3mka s THR 343 N -2.26 0.99 -0.12 0.00 -4.23 -0.15 -1.08 115.64 108.79 3mka s THR 343 Ca -0.08 -0.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 3mka s THR 343 Cb -0.04 -0.86 -0.01 0.00 1.34 0.00 0.00 72.50 72.93 3mka s THR 343 CO -0.04 0.29 -0.16 -0.83 -0.54 0.00 0.00 174.62 173.34 3mka s GLY 344 N 0.02 1.48 -0.09 3.99 0.00 -0.61 -1.43 107.32 110.67 3mka s GLY 344 Ca -0.01 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.84 3mka s GLY 344 CO 0.01 -0.24 -0.22 -0.42 0.00 0.00 0.00 173.10 172.23 3mka s ILE 345 N 0.34 1.90 0.16 0.90 1.01 -1.01 -0.36 121.20 124.14 3mka s ILE 345 Ca -0.13 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.66 3mka s ILE 345 Cb -0.17 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3mka s ILE 345 CO 0.07 0.53 -0.06 0.00 0.00 0.00 0.00 174.94 175.47 3mka s ALA 346 N 0.31 3.04 0.00 9.38 0.00 -0.73 -4.93 121.76 128.82 3mka s ALA 346 Ca -0.16 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.43 3mka s ALA 346 Cb -0.17 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.08 3mka s ALA 346 CO 0.07 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.76 3mka n GLY 347 N 0.16 0.44 3.63 0.00 0.00 -1.26 0.36 105.19 108.52 3mka n GLY 347 Ca -0.11 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.36 3.22 0.19 2.61 2.01 -0.47 -3.48 115.64 118.37 3mka s THR 348 Ca 0.00 0.24 -0.20 0.00 0.31 0.00 0.00 61.69 62.05 3mka s THR 348 Cb 0.00 -3.23 0.15 0.00 0.01 0.00 0.00 72.50 69.43 3mka s THR 348 CO 0.00 -0.10 1.59 0.00 -0.69 0.00 0.00 174.62 175.42 3mka h ALA 349 N 12.47 0.03 -0.34 7.40 0.00 -1.27 -2.18 119.26 135.37 3mka h ALA 349 Ca -0.41 0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3mka h ALA 349 Cb 1.21 0.77 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 3mka h ALA 349 CO 0.97 -0.64 -0.27 0.00 0.00 0.00 0.00 179.25 179.31 3mka h ALA 350 N 1.11 -0.38 -0.02 0.00 0.00 -1.92 0.88 119.26 118.93 3mka h ALA 350 Ca 0.25 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3mka h ALA 350 Cb 0.55 1.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 3mka h ALA 350 CO -0.71 -0.54 0.23 0.28 0.00 0.00 0.00 179.25 178.51 3mka h VAL 351 N -0.08 0.04 0.12 0.00 2.07 -1.74 -2.94 116.25 113.72 3mka h VAL 351 Ca 0.06 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.22 3mka h VAL 351 Cb 0.23 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3mka h VAL 351 CO -0.37 0.00 -1.95 0.00 0.02 0.00 0.00 177.57 175.27 3mka h ALA 352 N 1.55 0.45 -0.74 1.67 0.00 -0.35 -3.05 119.26 118.81 3mka h ALA 352 Ca 0.01 -1.38 -0.04 0.00 0.00 0.00 0.00 54.91 53.50 3mka h ALA 352 Cb 0.48 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3mka h ALA 352 CO -0.00 1.32 0.31 -0.24 0.00 0.00 0.00 179.25 180.65 3mka h VAL 353 N 0.07 1.25 -0.76 0.00 3.04 -1.30 -2.35 116.25 116.20 3mka h VAL 353 Ca -0.40 -0.75 -0.02 0.00 -1.01 0.00 0.00 66.70 64.51 3mka h VAL 353 Cb 2.04 0.37 -0.04 0.00 -2.01 0.00 0.00 31.29 31.65 3mka h VAL 353 CO 0.09 0.31 0.40 -0.33 -1.01 0.00 0.00 177.57 177.03 3mka h GLU 354 N 1.05 1.06 -0.80 4.17 4.39 -1.68 -2.11 114.58 120.65 3mka h GLU 354 Ca 0.25 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.83 3mka h GLU 354 Cb 0.18 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 3mka h GLU 354 CO -0.02 0.80 0.53 0.74 -1.16 0.00 0.00 179.01 179.90 3mka h PHE 355 N 1.05 0.99 -0.23 4.33 -1.00 -1.32 -1.82 116.94 118.95 3mka h PHE 355 Ca 0.26 0.02 -0.17 0.00 2.81 0.00 0.00 57.97 60.90 3mka h PHE 355 Cb 0.06 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 39.28 3mka h PHE 355 CO 0.00 0.61 -0.53 0.00 -1.61 0.00 0.00 178.31 176.79 3mka h ALA 356 N 1.51 0.64 0.22 2.45 0.00 -0.91 -2.16 119.26 121.01 3mka h ALA 356 Ca 0.30 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3mka h ALA 356 Cb -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3mka h ALA 356 CO -0.07 0.68 -0.11 -0.09 0.00 0.00 0.00 179.25 179.66 3mka h ARG 357 N 0.52 -0.28 -0.54 0.00 2.43 -1.23 -2.22 114.38 113.05 3mka h ARG 357 Ca 0.02 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3mka h ARG 357 Cb 1.09 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.64 3mka h ARG 357 CO 0.11 0.00 0.20 1.25 -1.51 0.00 0.00 179.97 180.02 3mka h LEU 358 N -0.57 0.21 -1.23 3.80 5.85 -1.38 -1.02 115.31 120.98 3mka h LEU 358 Ca -0.03 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 3mka h LEU 358 Cb 0.42 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3mka h LEU 358 CO 0.05 0.14 -0.00 0.22 -0.34 0.00 0.00 178.44 178.51 3mka h TYR 359 N 0.39 0.54 -0.25 1.25 3.20 -1.36 0.14 116.97 120.88 3mka h TYR 359 Ca 0.26 -0.05 -0.18 0.00 3.14 0.00 0.00 58.73 61.90 3mka h TYR 359 Cb 0.29 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 3mka h TYR 359 CO -0.16 0.53 -0.56 0.00 -1.64 0.00 0.00 178.16 176.33 3mka h ALA 360 N 1.50 0.54 -0.41 1.82 0.00 -0.66 -1.88 119.26 120.17 3mka h ALA 360 Ca 0.11 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 3mka h ALA 360 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3mka h ALA 360 CO 0.01 0.69 -0.16 0.28 0.00 0.00 0.00 179.25 180.07 3mka h VAL 361 N 0.58 1.28 -0.65 0.00 2.07 -0.92 -2.33 116.25 116.28 3mka h VAL 361 Ca 0.01 -1.29 0.07 0.00 0.82 0.00 0.00 66.70 66.31 3mka h VAL 361 Cb 1.15 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.11 3mka h VAL 361 CO 0.12 0.43 0.33 -0.08 0.02 0.00 0.00 177.57 178.39 3mka h GLU 362 N 0.64 0.59 -0.36 1.57 4.57 -0.82 0.95 114.58 121.71 3mka h GLU 362 Ca 0.10 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3mka h GLU 362 Cb 0.71 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3mka h GLU 362 CO 0.05 0.39 0.09 -0.07 -1.18 0.00 0.00 179.01 178.29 3mka h LEU 363 N 0.61 0.54 -0.61 1.64 4.07 -1.20 -2.81 115.31 117.55 3mka h LEU 363 Ca 0.30 -0.23 -0.08 0.00 0.08 0.00 0.00 57.88 57.96 3mka h LEU 363 Cb 0.25 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 3mka h LEU 363 CO -0.21 0.63 -0.37 -0.08 -1.08 0.00 0.00 178.44 177.32 3mka h GLU 364 N 0.43 0.00 -0.41 1.13 4.81 -1.07 -2.82 114.58 116.65 3mka h GLU 364 Ca 0.11 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 3mka h GLU 364 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3mka h GLU 364 CO 0.00 0.37 -0.13 1.25 -0.73 0.00 0.00 179.01 179.77 3mka h HIS 365 N 0.00 0.93 -0.46 0.92 2.76 -0.70 -1.81 115.15 116.79 3mka h HIS 365 Ca -0.00 -0.21 -0.11 0.00 -2.20 0.00 0.00 60.37 57.85 3mka h HIS 365 Cb 1.04 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.77 3mka h HIS 365 CO 0.00 0.95 -0.14 -0.92 -1.30 0.00 0.00 177.93 176.52 3mka h TYR 366 N 0.64 0.96 -0.53 5.26 3.20 -1.40 -1.19 116.97 123.91 3mka h TYR 366 Ca 0.10 -0.20 -0.07 0.00 3.14 0.00 0.00 58.73 61.71 3mka h TYR 366 Cb 0.67 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3mka h TYR 366 CO 0.05 0.94 0.06 1.49 -1.64 0.00 0.00 178.16 179.06 3mka h GLU 367 N 0.77 0.89 -0.25 1.82 4.81 -1.33 0.14 114.58 121.44 3mka h GLU 367 Ca 0.12 -0.26 -0.14 0.00 -0.13 0.00 0.00 59.36 58.95 3mka h GLU 367 Cb 0.66 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3mka h GLU 367 CO 0.05 0.89 -0.43 0.87 -0.73 0.00 0.00 179.01 179.66 3mka h LYS 368 N 0.77 0.61 -0.20 1.92 1.57 -1.14 0.56 116.57 120.67 3mka h LYS 368 Ca 0.16 -0.32 -0.19 0.00 -1.87 0.00 0.00 60.65 58.43 3mka h LYS 368 Cb 0.45 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3mka h LYS 368 CO 0.02 0.92 -0.63 -0.07 -0.57 0.00 0.00 179.45 179.12 3mka h LEU 369 N 0.50 0.80 -2.32 2.94 3.38 -0.95 -3.29 115.31 116.36 3mka h LEU 369 Ca 0.04 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3mka h LEU 369 Cb 0.95 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3mka h LEU 369 CO 0.08 1.23 0.00 -0.62 0.09 0.00 0.00 178.44 179.22 3mka n GLU 370 N -3.95 2.26 -0.84 1.13 -0.58 0.48 -4.97 120.64 114.16 3mka n GLU 370 Ca -0.05 -2.07 0.00 0.00 -0.42 0.00 0.00 57.16 54.63 3mka n GLU 370 Cb 0.66 -1.41 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 1.14 0.00 3.23 0.62 0.00 0.20 -4.91 105.19 105.48 3mka n GLY 371 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.95 0.01 0.75 1.61 0.11 -1.17 -5.00 120.40 115.76 3mka s VAL 372 Ca 0.00 -0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.87 3mka s VAL 372 Cb 0.00 -0.50 0.05 0.00 -1.53 0.00 0.00 36.38 34.40 3mka s VAL 372 CO 0.00 -0.03 1.11 -2.16 -3.33 0.00 0.00 175.10 170.69 3mka s PRO 373 N -0.00 2.29 0.66 1.54 0.04 -1.26 -4.23 135.00 134.03 3mka s PRO 373 Ca -0.02 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.17 3mka s PRO 373 Cb -0.03 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 3mka s PRO 373 CO 0.01 -1.63 1.15 -1.17 0.04 0.00 0.00 177.00 175.39 3mka s LEU 374 N -5.63 3.44 0.70 -3.56 2.96 -1.26 -5.01 118.68 110.32 3mka s LEU 374 Ca 0.64 2.15 -0.12 0.00 -0.22 0.00 0.00 54.13 56.58 3mka s LEU 374 Cb -0.19 -4.57 0.01 0.00 0.50 0.00 0.00 46.19 41.94 3mka s LEU 374 CO 0.51 -1.74 1.08 0.42 -1.32 0.00 0.00 176.35 175.30 3mka s THR 375 N -2.10 3.67 0.16 3.68 -4.23 -1.26 -4.80 115.64 110.76 3mka s THR 375 Ca 0.71 0.61 -0.20 0.00 -1.18 0.00 0.00 61.69 61.63 3mka s THR 375 Cb -0.24 -3.21 0.07 0.00 1.34 0.00 0.00 72.50 70.47 3mka s THR 375 CO 0.40 -0.64 1.64 0.15 -0.54 0.00 0.00 174.62 175.63 3mka h PHE 376 N -0.54 -0.50 -0.80 3.99 3.57 -1.98 0.26 116.94 120.94 3mka h PHE 376 Ca -0.45 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.27 3mka h PHE 376 Cb 1.22 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 40.18 3mka h PHE 376 CO 0.59 -0.27 0.54 0.00 -2.23 0.00 0.00 178.31 176.94 3mka h ALA 377 N 1.06 2.21 -0.23 2.41 0.00 -1.99 0.14 119.26 122.85 3mka h ALA 377 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 3mka h ALA 377 Cb 0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3mka h ALA 377 CO -0.43 -0.45 -0.54 0.78 0.00 0.00 0.00 179.25 178.61 3mka h GLY 378 N 0.37 0.76 1.19 0.00 0.00 -0.90 -1.85 103.07 102.65 3mka h GLY 378 Ca 0.40 -0.89 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 3mka h GLY 378 CO -0.13 0.80 0.14 0.50 0.00 0.00 0.00 176.54 177.85 3mka h LYS 379 N 0.54 1.00 -0.02 4.80 1.57 0.78 -1.28 116.57 123.95 3mka h LYS 379 Ca 0.01 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3mka h LYS 379 Cb 1.12 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 3mka h LYS 379 CO 0.11 0.90 0.01 0.82 -0.57 0.00 0.00 179.45 180.71 3mka h ILE 380 N 0.95 1.16 -0.36 1.86 2.04 -1.16 -2.24 117.51 119.76 3mka h ILE 380 Ca 0.20 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3mka h ILE 380 Cb 0.36 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 3mka h ILE 380 CO 0.00 0.13 0.24 -1.13 0.00 0.00 0.00 178.15 177.39 3mka h ASN 381 N -0.16 0.35 -0.19 1.72 -0.73 -1.08 -1.66 115.58 113.82 3mka h ASN 381 Ca 0.01 -0.01 -0.15 0.00 1.87 0.00 0.00 56.30 58.02 3mka h ASN 381 Cb 0.20 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.71 3mka h ASN 381 CO -0.00 0.24 -0.45 -0.09 -0.37 0.00 0.00 177.43 176.76 3mka h ARG 382 N 0.41 0.64 -0.77 6.67 9.65 -0.94 -2.69 114.38 127.34 3mka h ARG 382 Ca 0.14 -0.44 -0.02 0.00 -1.10 0.00 0.00 59.98 58.56 3mka h ARG 382 Cb 0.07 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.68 3mka h ARG 382 CO -0.03 1.06 0.40 1.25 2.80 0.00 0.00 179.97 185.44 3mka h LEU 383 N 0.32 0.99 -1.41 3.80 5.85 -0.83 -2.52 115.31 121.50 3mka h LEU 383 Ca -0.00 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3mka h LEU 383 Cb 1.06 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 3mka h LEU 383 CO 0.10 0.83 0.41 0.00 -0.34 0.00 0.00 178.44 179.44 3mka h ALA 384 N 1.20 1.61 -0.30 1.25 0.00 -1.27 0.20 119.26 121.96 3mka h ALA 384 Ca 0.27 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3mka h ALA 384 Cb 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3mka h ALA 384 CO -0.04 0.35 -0.31 0.82 0.00 0.00 0.00 179.25 180.07 3mka h ILE 385 N 0.79 1.30 -0.52 0.00 2.04 -1.11 -0.27 117.51 119.74 3mka h ILE 385 Ca 0.24 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3mka h ILE 385 Cb -0.01 1.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3mka h ILE 385 CO -0.06 0.48 0.34 0.24 0.00 0.00 0.00 178.15 179.14 3mka h MET 386 N 0.49 0.70 0.87 2.37 2.86 -1.00 -0.71 114.93 120.52 3mka h MET 386 Ca 0.05 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3mka h MET 386 Cb 0.89 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.40 3mka h MET 386 CO 0.08 0.48 -0.42 0.28 1.06 0.00 0.00 176.91 178.39 3mka h VAL 387 N 0.71 0.00 -0.97 -2.22 2.07 -0.88 -2.92 116.25 112.04 3mka h VAL 387 Ca 0.19 -0.03 0.25 0.00 0.82 0.00 0.00 66.70 67.94 3mka h VAL 387 Cb -0.05 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.65 3mka h VAL 387 CO -0.04 0.00 0.66 -0.09 0.02 0.00 0.00 177.57 178.12 3mka h ARG 388 N -1.20 0.24 -0.05 1.57 2.43 -0.93 0.30 114.38 116.74 3mka h ARG 388 Ca -0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3mka h ARG 388 Cb 0.90 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3mka h ARG 388 CO 0.20 0.16 0.00 0.41 -1.51 0.00 0.00 179.97 179.22 3mka n GLY 389 N -1.59 -0.75 0.00 2.80 0.00 -0.28 -2.76 105.19 102.61 3mka n GLY 389 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3mka n GLY 389 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mka n ASN 390 N -0.47 0.62 -0.29 1.61 5.15 0.10 -4.75 115.26 117.24 3mka n ASN 390 Ca 0.00 -0.82 0.11 0.00 -0.60 0.00 0.00 54.58 53.27 3mka n ASN 390 Cb 0.01 0.33 0.26 0.00 -0.53 0.00 0.00 39.78 39.86 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 0.00 0.13 -0.03 1.20 5.85 -1.53 0.13 115.31 121.06 3mka h LEU 391 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3mka h LEU 391 Cb 0.02 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3mka h LEU 391 CO 0.00 -0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.05 3mka h ALA 392 N 1.70 0.03 -0.53 1.25 0.00 -1.85 -1.31 119.26 118.55 3mka h ALA 392 Ca 0.51 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 3mka h ALA 392 Cb 0.96 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3mka h ALA 392 CO -0.56 -0.48 0.21 0.00 0.00 0.00 0.00 179.25 178.42 3mka h ALA 393 N 1.03 1.38 0.00 0.00 0.00 -1.46 -2.45 119.26 117.77 3mka h ALA 393 Ca 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3mka h ALA 393 Cb 0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3mka h ALA 393 CO -0.02 0.47 -0.16 0.00 0.00 0.00 0.00 179.25 179.54 3mka h ALA 394 N 1.48 1.22 -0.31 0.00 0.00 -0.12 -1.71 119.26 119.82 3mka h ALA 394 Ca 0.18 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3mka h ALA 394 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3mka h ALA 394 CO -0.02 0.20 -0.23 0.52 0.00 0.00 0.00 179.25 179.72 3mka h MET 395 N 0.00 0.60 -0.09 0.00 2.86 -0.76 -2.56 114.93 114.98 3mka h MET 395 Ca -0.00 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 3mka h MET 395 Cb 0.45 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3mka h MET 395 CO 0.02 0.78 0.00 1.04 1.06 0.00 0.00 176.91 179.81 3mka n GLN 396 N -4.12 1.36 -0.32 1.72 6.02 -0.76 -4.91 117.38 116.37 3mka n GLN 396 Ca -0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 3mka n GLN 396 Cb 0.41 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.36 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 0.92 0.69 2.45 1.08 0.00 -0.96 -4.97 105.19 104.40 3mka n GLY 397 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 7.52 -4.77 0.99 4.32 -0.72 -4.78 117.00 119.56 3mka n LEU 398 Ca 0.00 -4.54 -0.39 0.00 -0.02 0.00 0.00 56.01 51.07 3mka n LEU 398 Cb 0.00 -1.34 -0.05 0.00 -1.62 0.00 0.00 43.42 40.41 3mka n LEU 398 CO 0.00 1.95 0.74 -0.22 -1.22 0.00 0.00 177.39 178.64 3mka s LEU 399 N -1.90 4.40 -0.19 2.23 2.96 -1.26 -3.92 118.68 121.01 3mka s LEU 399 Ca 0.57 2.11 -0.04 0.00 -0.22 0.00 0.00 54.13 56.55 3mka s LEU 399 Cb 0.25 -3.85 0.06 0.00 0.50 0.00 0.00 46.19 43.15 3mka s LEU 399 CO -0.13 -0.22 0.07 0.00 -1.32 0.00 0.00 176.35 174.75 3mka s ALA 400 N -1.38 0.73 -0.39 5.97 0.00 -1.26 -1.37 121.76 124.06 3mka s ALA 400 Ca 0.49 -0.54 -0.05 0.00 0.00 0.00 0.00 51.96 51.86 3mka s ALA 400 Cb -0.27 -1.12 0.08 0.00 0.00 0.00 0.00 23.12 21.81 3mka s ALA 400 CO 0.34 -1.20 0.18 -1.17 0.00 0.00 0.00 175.76 173.91 3mka s LEU 401 N 1.99 4.91 0.39 0.00 2.96 0.16 -4.96 118.68 124.14 3mka s LEU 401 Ca 0.01 -1.66 -0.06 0.00 -0.22 0.00 0.00 54.13 52.20 3mka s LEU 401 Cb -0.17 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 3mka s LEU 401 CO -0.10 -0.48 0.69 -2.16 -1.32 0.00 0.00 176.35 172.98 3mka s PRO 402 N 1.27 3.63 -0.06 0.98 0.04 -1.26 -1.77 135.00 137.83 3mka s PRO 402 Ca 0.03 0.17 0.04 0.00 0.04 0.00 0.00 61.00 61.28 3mka s PRO 402 Cb -0.22 -2.49 -0.00 0.00 0.04 0.00 0.00 34.50 31.83 3mka s PRO 402 CO -0.01 0.00 -0.19 -1.17 0.04 0.00 0.00 177.00 175.67 3mka s LEU 403 N -4.08 1.93 -0.11 -3.56 2.96 0.52 -3.37 118.68 112.97 3mka s LEU 403 Ca 0.47 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 3mka s LEU 403 Cb -0.10 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 3mka s LEU 403 CO 0.35 0.15 -0.20 -0.22 -1.32 0.00 0.00 176.35 175.11 3mka s LEU 404 N 0.20 2.30 -0.05 -0.68 2.96 0.13 -1.58 118.68 121.96 3mka s LEU 404 Ca -0.09 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 3mka s LEU 404 Cb -0.14 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 3mka s LEU 404 CO 0.04 0.17 -0.20 0.00 -1.32 0.00 0.00 176.35 175.04 3mka s ALA 405 N 0.30 1.77 0.16 5.97 0.00 -0.24 -0.10 121.76 129.62 3mka s ALA 405 Ca -0.15 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 3mka s ALA 405 Cb -0.17 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.41 3mka s ALA 405 CO 0.08 0.32 0.49 0.20 0.00 0.00 0.00 175.76 176.84 3mka s GLY 406 N -0.00 -0.26 -0.12 0.00 0.00 -0.11 -0.28 107.32 106.55 3mka s GLY 406 Ca -0.05 -0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.66 3mka s GLY 406 CO 0.03 -0.21 -0.15 -0.47 0.00 0.00 0.00 173.10 172.30 3mka s TYR 407 N -3.82 2.76 -0.37 1.90 5.04 -0.38 0.15 117.35 122.64 3mka s TYR 407 Ca 0.05 -0.70 -0.12 0.00 -2.44 0.00 0.00 57.07 53.85 3mka s TYR 407 Cb 0.00 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.51 3mka s TYR 407 CO -0.08 -0.24 0.23 0.34 -1.34 0.00 0.00 175.55 174.46 3mka s ASP 408 N 0.32 5.90 0.19 4.32 2.15 -1.21 -4.87 116.67 123.47 3mka s ASP 408 Ca -0.12 -0.75 -0.09 0.00 0.43 0.00 0.00 52.55 52.02 3mka s ASP 408 Cb -0.16 -2.09 0.10 0.00 -0.30 0.00 0.00 42.92 40.47 3mka s ASP 408 CO 0.06 -0.34 1.71 0.16 -0.17 0.00 0.00 175.17 176.60 3mka h ILE 409 N 5.67 1.26 -0.09 4.11 3.07 -1.97 -2.75 117.51 126.80 3mka h ILE 409 Ca -0.28 -0.91 -0.04 0.00 1.55 0.00 0.00 64.86 65.17 3mka h ILE 409 Cb 1.13 0.56 -0.01 0.00 -0.27 0.00 0.00 36.82 38.23 3mka h ILE 409 CO 0.67 0.35 -0.13 0.45 -1.05 0.00 0.00 178.15 178.45 3mka h HIS 410 N 1.00 0.14 -3.84 0.16 3.86 -2.00 -3.44 115.15 111.03 3mka h HIS 410 Ca 0.22 -0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 58.86 3mka h HIS 410 Cb 0.33 -0.04 0.12 0.00 1.06 0.00 0.00 27.41 28.88 3mka h HIS 410 CO 0.03 0.27 0.67 0.00 0.86 0.00 0.00 177.93 179.75 3mka n ALA 411 N -2.50 1.94 -0.32 2.45 0.00 -1.04 -4.90 120.51 116.15 3mka n ALA 411 Ca -0.01 0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.66 3mka n ALA 411 Cb 0.24 -2.37 0.08 0.00 0.00 0.00 0.00 19.45 17.40 3mka n ALA 411 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mka h SER 412 N 2.42 1.10 -3.59 0.00 4.64 -1.87 -3.41 113.55 112.84 3mka h SER 412 Ca -0.50 -0.12 -0.65 0.00 -0.47 0.00 0.00 61.79 60.05 3mka h SER 412 Cb 1.27 -0.28 -0.23 0.00 -0.31 0.00 0.00 62.40 62.84 3mka h SER 412 CO 0.62 0.90 -0.64 -0.62 -0.87 0.00 0.00 176.83 176.21 3mka s ASP 413 N -6.24 4.97 0.20 4.97 2.15 -1.26 -4.98 116.67 116.48 3mka s ASP 413 Ca -0.13 -0.24 -0.08 0.00 0.43 0.00 0.00 52.55 52.53 3mka s ASP 413 Cb 0.16 -1.89 0.12 0.00 -0.30 0.00 0.00 42.92 41.02 3mka s ASP 413 CO 0.83 -0.03 1.72 -0.65 -0.17 0.00 0.00 175.17 176.87 3mka h PRO 414 N 8.17 1.15 -0.76 4.34 0.11 -1.91 0.14 132.00 143.23 3mka h PRO 414 Ca -0.39 -0.27 -0.05 0.00 0.11 0.00 0.00 66.00 65.40 3mka h PRO 414 Cb 1.17 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 3mka h PRO 414 CO 0.58 1.00 0.29 1.96 -0.21 0.00 0.00 178.00 181.63 3mka h GLN 415 N 1.09 1.14 -0.63 1.05 1.08 -1.93 -2.79 115.11 114.12 3mka h GLN 415 Ca 0.23 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3mka h GLN 415 Cb 0.36 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3mka h GLN 415 CO 0.00 0.94 0.00 -1.13 -0.95 0.00 0.00 178.83 177.69 3mka n SER 416 N -4.30 3.72 -0.15 1.46 3.41 -1.18 -0.40 113.62 116.18 3mka n SER 416 Ca 0.06 -2.00 -0.01 0.00 -0.26 0.00 0.00 58.87 56.67 3mka n SER 416 Cb 0.19 -0.42 0.22 0.00 -0.26 0.00 0.00 64.21 63.94 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 4.36 1.32 -2.21 7.33 0.00 -0.67 -3.45 119.26 125.94 3mka h ALA 417 Ca 0.00 -0.15 -0.60 0.00 0.00 0.00 0.00 54.91 54.17 3mka h ALA 417 Cb 0.96 -0.24 0.15 0.00 0.00 0.00 0.00 17.79 18.66 3mka h ALA 417 CO 0.00 0.51 -0.31 0.41 0.00 0.00 0.00 179.25 179.86 3mka n GLY 418 N -1.07 -1.29 2.93 0.00 0.00 -1.26 -3.35 105.19 101.15 3mka n GLY 418 Ca 0.05 0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.78 0.26 -0.07 1.61 1.81 0.39 -4.91 118.95 116.26 3mka s ARG 419 Ca 0.65 -0.13 0.02 0.00 -1.72 0.00 0.00 55.73 54.54 3mka s ARG 419 Cb -0.56 -0.24 0.01 0.00 -0.45 0.00 0.00 34.95 33.72 3mka s ARG 419 CO 0.57 0.07 -0.12 0.42 -0.68 0.00 0.00 175.30 175.55 3mka s ILE 420 N -0.12 1.16 -0.05 1.52 1.01 -1.26 -0.93 121.20 122.53 3mka s ILE 420 Ca 0.01 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.20 3mka s ILE 420 Cb -0.02 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.39 3mka s ILE 420 CO -0.00 0.37 -0.10 -0.69 0.00 0.00 0.00 174.94 174.51 3mka s VAL 421 N 0.81 0.92 0.17 2.92 1.01 0.86 -1.69 120.40 125.40 3mka s VAL 421 Ca -0.12 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.56 3mka s VAL 421 Cb -0.15 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3mka s VAL 421 CO 0.02 0.30 -0.07 -0.94 0.00 0.00 0.00 175.10 174.41 3mka s SER 422 N 0.52 4.41 -0.04 3.32 1.04 -0.75 0.17 113.70 122.37 3mka s SER 422 Ca -0.10 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.86 3mka s SER 422 Cb -0.13 -0.81 -0.00 0.00 0.10 0.00 0.00 66.02 65.17 3mka s SER 422 CO 0.02 0.10 -0.17 -0.36 0.98 0.00 0.00 173.24 173.81 3mka s PHE 423 N -1.68 1.68 0.53 5.02 0.08 -1.22 -1.08 117.98 121.32 3mka s PHE 423 Ca 0.25 -0.46 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 3mka s PHE 423 Cb -0.09 -1.13 0.02 0.00 -0.57 0.00 0.00 43.02 41.25 3mka s PHE 423 CO 0.16 -0.15 0.79 0.16 -0.10 0.00 0.00 175.22 176.08 3mka s ASP 424 N -0.01 5.53 0.61 1.36 1.47 -0.23 -4.67 116.67 120.74 3mka s ASP 424 Ca -0.03 0.33 0.33 0.00 1.18 0.00 0.00 52.55 54.36 3mka s ASP 424 Cb -0.11 -1.36 1.81 0.00 -0.34 0.00 0.00 42.92 42.91 3mka s ASP 424 CO 0.02 -0.99 2.01 0.00 0.68 0.00 0.00 175.17 176.89 3mka h ALA 425 N 0.08 1.17 -0.29 2.11 0.00 -1.93 -1.22 119.26 119.18 3mka h ALA 425 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3mka h ALA 425 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3mka h ALA 425 CO 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3mka n ALA 426 N -1.92 2.47 -0.03 0.00 0.00 -1.26 -4.40 120.51 115.37 3mka n ALA 426 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.66 3mka n ALA 426 Cb 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 1.32 0.59 3.72 0.00 0.00 -0.46 -4.44 105.19 105.92 3mka n GLY 427 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 0.87 3.24 -0.02 0.00 -1.26 -4.75 105.19 101.26 3mka n GLY 428 Ca 0.00 0.35 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.88 1.81 0.02 1.61 1.48 -1.26 -1.07 118.94 120.64 3mka s TRP 429 Ca 0.57 -0.36 0.05 0.00 -1.06 0.00 0.00 56.10 55.29 3mka s TRP 429 Cb -0.54 -1.11 -0.02 0.00 -1.16 0.00 0.00 33.47 30.64 3mka s TRP 429 CO 0.60 0.05 -0.15 1.21 -4.06 0.00 0.00 176.95 174.60 3mka s ASN 430 N -0.92 1.74 -0.27 -2.66 2.47 -0.24 -4.98 114.94 110.07 3mka s ASN 430 Ca 0.08 -0.37 -0.12 0.00 0.42 0.00 0.00 52.86 52.86 3mka s ASN 430 Cb -0.08 -0.15 -0.05 0.00 -1.45 0.00 0.00 41.25 39.52 3mka s ASN 430 CO 0.01 0.11 0.24 -0.63 -3.72 0.00 0.00 177.10 173.11 3mka s ILE 431 N -0.62 5.28 -0.20 -5.21 1.01 -1.26 -1.82 121.20 118.38 3mka s ILE 431 Ca 0.04 0.30 -0.28 0.00 0.00 0.00 0.00 60.65 60.71 3mka s ILE 431 Cb -0.07 -3.58 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 3mka s ILE 431 CO 0.00 0.23 0.96 -1.61 0.00 0.00 0.00 174.94 174.53 3mka s GLU 432 N 1.76 4.28 0.00 2.79 0.41 -0.68 -4.89 118.70 122.37 3mka s GLU 432 Ca 0.10 1.23 0.26 0.00 -0.41 0.00 0.00 54.97 56.14 3mka s GLU 432 Cb -0.16 -3.61 0.63 0.00 -1.78 0.00 0.00 34.13 29.21 3mka s GLU 432 CO 0.10 -0.50 1.49 0.39 -0.49 0.00 0.00 175.26 176.25 3mka n GLU 433 N 5.83 1.03 -0.08 1.61 -0.58 -1.26 -4.07 120.64 123.11 3mka n GLU 433 Ca 0.09 -0.67 -0.05 0.00 -0.42 0.00 0.00 57.16 56.11 3mka n GLU 433 Cb 0.47 -1.49 0.15 0.00 -0.57 0.00 0.00 31.44 30.01 3mka n GLU 433 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3mka h GLU 434 N 1.64 0.74 0.00 3.49 4.39 -1.99 -3.47 114.58 119.38 3mka h GLU 434 Ca 0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 3mka h GLU 434 Cb 0.56 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3mka h GLU 434 CO 0.00 0.81 0.00 0.41 -1.16 0.00 0.00 179.01 179.07 3mka n GLY 435 N -0.52 0.69 3.34 -3.84 0.00 -1.26 -5.01 105.19 98.59 3mka n GLY 435 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 -0.30 0.10 1.61 -0.85 -1.26 -0.56 117.35 114.09 3mka s TYR 436 Ca 0.00 0.01 -0.26 0.00 -0.52 0.00 0.00 57.07 56.31 3mka s TYR 436 Cb 0.00 0.34 0.08 0.00 0.38 0.00 0.00 41.96 42.76 3mka s TYR 436 CO 0.00 -0.74 0.87 -1.14 -1.52 0.00 0.00 175.55 173.02 3mka s GLN 437 N -3.76 1.10 0.13 -3.49 2.00 -0.20 -4.98 119.66 110.45 3mka s GLN 437 Ca 0.02 -0.52 -0.14 0.00 -2.00 0.00 0.00 55.36 52.73 3mka s GLN 437 Cb 0.01 0.44 0.02 0.00 0.80 0.00 0.00 33.01 34.28 3mka s GLN 437 CO -0.12 -0.49 0.36 0.00 -0.50 0.00 0.00 175.29 174.53 3mka s ALA 438 N -3.33 -0.72 0.06 1.58 0.00 -1.26 -1.28 121.76 116.82 3mka s ALA 438 Ca 0.08 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 3mka s ALA 438 Cb -0.02 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.79 3mka s ALA 438 CO -0.04 -0.63 0.24 0.14 0.00 0.00 0.00 175.76 175.47 3mka s VAL 439 N -3.83 0.11 0.00 0.00 -7.23 -0.12 -4.93 120.40 104.39 3mka s VAL 439 Ca 0.05 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 3mka s VAL 439 Cb 0.02 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.93 3mka s VAL 439 CO -0.10 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 174.81 3mka n GLY 440 N 0.43 1.18 0.31 2.32 0.00 -1.25 -0.54 105.19 107.62 3mka n GLY 440 Ca -0.18 -2.22 0.16 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.30 1.61 4.64 -1.67 -2.05 113.55 115.78 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 -1.31 3.69 0.25 -0.77 0.00 -1.26 -4.67 105.19 101.12 3mka n GLY 442 Ca -0.03 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.18 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 2.02 0.00 -0.41 1.61 4.64 -1.61 -1.79 113.55 118.02 3mka h SER 443 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3mka h SER 443 Cb 1.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 3mka h SER 443 CO 0.19 0.10 -0.19 -0.07 -0.87 0.00 0.00 176.83 175.99 3mka h LEU 444 N 0.00 0.87 -0.41 5.97 4.07 -1.83 -0.96 115.31 123.03 3mka h LEU 444 Ca -0.00 -0.40 -0.04 0.00 0.08 0.00 0.00 57.88 57.52 3mka h LEU 444 Cb 0.19 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 3mka h LEU 444 CO 0.01 1.08 0.11 -0.26 -1.08 0.00 0.00 178.44 178.31 3mka h PHE 445 N 0.66 0.67 -0.68 1.13 0.04 -1.74 -1.21 116.94 115.80 3mka h PHE 445 Ca 0.09 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3mka h PHE 445 Cb 0.75 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 3mka h PHE 445 CO 0.06 0.63 0.34 0.00 -0.60 0.00 0.00 178.31 178.73 3mka h ALA 446 N 0.96 0.88 -0.26 2.45 0.00 -1.31 -1.50 119.26 120.48 3mka h ALA 446 Ca 0.13 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3mka h ALA 446 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3mka h ALA 446 CO -0.00 0.43 -0.28 0.87 0.00 0.00 0.00 179.25 180.28 3mka h LYS 447 N 0.95 0.51 -0.17 0.00 1.57 -0.97 -0.98 116.57 117.48 3mka h LYS 447 Ca 0.24 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3mka h LYS 447 Cb 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3mka h LYS 447 CO -0.03 0.74 -0.57 0.77 -0.57 0.00 0.00 179.45 179.79 3mka h SER 448 N 0.45 0.60 0.01 0.86 0.02 -0.96 -1.15 113.55 113.37 3mka h SER 448 Ca 0.06 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3mka h SER 448 Cb 0.71 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3mka h SER 448 CO 0.05 1.04 -0.00 -1.28 -1.14 0.00 0.00 176.83 175.50 3mka h SER 449 N 0.41 -0.01 -0.27 3.07 0.87 -1.10 -2.85 113.55 113.67 3mka h SER 449 Ca 0.00 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 3mka h SER 449 Cb 1.11 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 3mka h SER 449 CO 0.11 0.20 0.15 0.24 -0.53 0.00 0.00 176.83 177.00 3mka h MET 450 N -0.22 0.41 -0.40 2.24 2.07 -1.12 -1.21 114.93 116.71 3mka h MET 450 Ca -0.00 -0.04 0.08 0.00 -2.07 0.00 0.00 59.70 57.67 3mka h MET 450 Cb 0.22 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 29.84 3mka h MET 450 CO 0.00 0.32 0.27 -0.22 1.07 0.00 0.00 176.91 178.36 3mka h LYS 451 N 0.42 0.18 0.08 1.72 3.64 -0.97 0.99 116.57 122.62 3mka h LYS 451 Ca 0.11 -0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.19 3mka h LYS 451 Cb 0.04 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3mka h LYS 451 CO -0.02 0.12 -1.51 0.87 -2.27 0.00 0.00 179.45 176.64 3mka h LYS 452 N 0.18 0.16 0.00 1.90 1.79 -1.21 -3.38 116.57 116.02 3mka h LYS 452 Ca 0.18 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3mka h LYS 452 Cb 0.49 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 3mka h LYS 452 CO -0.03 1.13 0.00 1.28 -1.08 0.00 0.00 179.45 180.75 3mka n LEU 453 N -3.98 0.24 -0.28 2.94 4.77 -0.56 -4.30 117.00 115.83 3mka n LEU 453 Ca -0.29 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3mka n LEU 453 Cb 0.86 -0.48 0.20 0.00 -2.33 0.00 0.00 43.42 41.66 3mka n LEU 453 CO 0.34 -0.21 1.26 0.22 -1.33 0.00 0.00 177.39 177.66 3mka h TYR 454 N 0.00 1.07 -0.03 -1.77 3.20 -0.99 -2.12 116.97 116.33 3mka h TYR 454 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 3mka h TYR 454 Cb 0.43 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 3mka h TYR 454 CO 0.00 0.66 0.08 0.66 -1.64 0.00 0.00 178.16 177.92 3mka h SER 455 N 1.14 0.00 0.23 -2.11 4.64 -1.86 0.13 113.55 115.73 3mka h SER 455 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3mka h SER 455 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3mka h SER 455 CO -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.88 3mka n GLN 456 N -3.34 0.74 -2.96 4.77 6.02 -0.80 -4.72 117.38 117.10 3mka n GLN 456 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 3mka n GLN 456 Cb 0.15 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 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 -2.24 4.75 0.00 5.09 1.01 0.45 -4.74 120.40 124.72 3mka s VAL 457 Ca 0.39 0.95 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3mka s VAL 457 Cb 0.21 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3mka s VAL 457 CO 0.40 -0.39 0.00 0.35 0.00 0.00 0.00 175.10 175.46 3mka n THR 458 N 5.73 0.00 -3.81 3.92 -2.24 -1.26 -4.89 114.28 111.73 3mka n THR 458 Ca 0.03 -0.13 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 3mka n THR 458 Cb 0.48 0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 69.32 3mka n THR 458 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3mka n ASP 459 N -0.72 -1.25 0.28 3.42 5.68 -1.26 -4.47 116.55 118.23 3mka n ASP 459 Ca 0.00 -2.32 0.15 0.00 -0.50 0.00 0.00 54.79 52.12 3mka n ASP 459 Cb 0.00 2.21 0.83 0.00 -1.14 0.00 0.00 41.12 43.02 3mka n ASP 459 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3mka h GLY 460 N 1.46 0.00 1.05 6.12 0.00 -1.94 -1.92 103.07 107.83 3mka h GLY 460 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.78 3mka h GLY 460 CO 0.29 0.00 -1.66 -0.55 0.00 0.00 0.00 176.54 174.61 3mka h ASP 461 N 0.00 0.50 0.11 0.19 3.32 -1.99 -2.63 116.42 115.92 3mka h ASP 461 Ca -0.00 -0.74 -0.01 0.00 0.02 0.00 0.00 57.03 56.31 3mka h ASP 461 Cb 0.25 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3mka h ASP 461 CO 0.01 1.62 -0.05 0.77 -1.72 0.00 0.00 179.24 179.87 3mka h SER 462 N 0.09 -0.13 -0.99 6.45 4.64 -1.86 -2.28 113.55 119.47 3mka h SER 462 Ca -0.30 -0.30 0.22 0.00 -0.47 0.00 0.00 61.79 60.94 3mka h SER 462 Cb 2.06 0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 64.09 3mka h SER 462 CO 0.17 0.24 0.62 1.23 -0.87 0.00 0.00 176.83 178.22 3mka h GLY 463 N -0.51 1.45 2.00 -0.77 0.00 -1.47 0.49 103.07 104.25 3mka h GLY 463 Ca -0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 3mka h GLY 463 CO 0.03 -0.08 -0.25 -2.00 0.00 0.00 0.00 176.54 174.24 3mka h LEU 464 N 0.58 0.00 0.25 3.11 5.85 -1.32 -2.06 115.31 121.72 3mka h LEU 464 Ca 0.56 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.27 3mka h LEU 464 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3mka h LEU 464 CO -0.32 0.25 -0.12 -0.09 -0.34 0.00 0.00 178.44 177.82 3mka h ARG 465 N 0.00 -0.32 -1.02 1.25 2.43 0.52 -1.80 114.38 115.44 3mka h ARG 465 Ca -0.00 0.02 0.26 0.00 -0.81 0.00 0.00 59.98 59.45 3mka h ARG 465 Cb 0.86 0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 30.36 3mka h ARG 465 CO 0.03 -0.01 0.61 0.28 -1.51 0.00 0.00 179.97 179.38 3mka h VAL 466 N -0.97 0.51 -0.11 0.20 2.07 -1.30 0.42 116.25 117.07 3mka h VAL 466 Ca -0.03 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3mka h VAL 466 Cb 0.47 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3mka h VAL 466 CO 0.06 0.10 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 3mka h ALA 467 N 1.72 0.15 0.00 1.67 0.00 -1.33 0.85 119.26 122.32 3mka h ALA 467 Ca 0.65 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 3mka h ALA 467 Cb 1.33 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3mka h ALA 467 CO -0.45 -0.13 -0.13 0.28 0.00 0.00 0.00 179.25 178.82 3mka h VAL 468 N -0.09 0.49 0.10 0.00 2.07 0.12 -2.43 116.25 116.50 3mka h VAL 468 Ca 0.03 -0.66 -0.23 0.00 0.82 0.00 0.00 66.70 66.66 3mka h VAL 468 Cb 0.41 1.45 0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3mka h VAL 468 CO 0.01 0.13 -0.97 -0.08 0.02 0.00 0.00 177.57 176.68 3mka h GLU 469 N 0.00 0.48 -0.65 1.57 4.81 0.08 -2.57 114.58 118.29 3mka h GLU 469 Ca -0.00 -0.65 0.01 0.00 -0.13 0.00 0.00 59.36 58.59 3mka h GLU 469 Cb 0.44 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 3mka h GLU 469 CO 0.02 1.27 0.42 0.00 -0.73 0.00 0.00 179.01 180.00 3mka h ALA 470 N 0.23 1.53 0.00 2.92 0.00 -0.66 0.86 119.26 124.15 3mka h ALA 470 Ca -0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3mka h ALA 470 Cb 1.69 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3mka h ALA 470 CO 0.18 0.43 -0.37 1.25 0.00 0.00 0.00 179.25 180.74 3mka h LEU 471 N 0.88 0.00 -0.09 0.00 5.85 -1.46 -1.65 115.31 118.84 3mka h LEU 471 Ca 0.24 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 3mka h LEU 471 Cb -0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3mka h LEU 471 CO -0.05 0.37 -0.34 0.22 -0.34 0.00 0.00 178.44 178.30 3mka h TYR 472 N 0.00 0.52 -0.62 1.25 3.20 -0.51 -2.31 116.97 118.50 3mka h TYR 472 Ca -0.00 -0.22 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 3mka h TYR 472 Cb 0.89 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 3mka h TYR 472 CO 0.00 0.95 0.34 -0.44 -1.64 0.00 0.00 178.16 177.37 3mka h ASP 473 N -0.07 0.76 -0.40 -2.11 3.32 -0.79 -1.38 116.42 115.75 3mka h ASP 473 Ca -0.02 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 3mka h ASP 473 Cb 0.98 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 3mka h ASP 473 CO 0.07 0.61 -0.23 0.00 -1.72 0.00 0.00 179.24 177.98 3mka h ALA 474 N 1.51 0.76 0.00 3.45 0.00 -1.24 -2.69 119.26 121.06 3mka h ALA 474 Ca 0.22 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3mka h ALA 474 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3mka h ALA 474 CO -0.04 0.66 -0.25 0.00 0.00 0.00 0.00 179.25 179.62 3mka h ALA 475 N 0.95 1.13 -0.23 0.00 0.00 -0.77 -1.77 119.26 118.58 3mka h ALA 475 Ca 0.10 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3mka h ALA 475 Cb 0.78 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3mka h ALA 475 CO 0.06 0.31 -0.41 0.22 0.00 0.00 0.00 179.25 179.44 3mka h ASP 476 N 0.00 0.57 -0.01 0.00 3.58 -0.96 -3.30 116.42 116.30 3mka h ASP 476 Ca -0.00 -0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3mka h ASP 476 Cb 0.66 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.55 3mka h ASP 476 CO 0.03 0.92 -0.22 0.47 -2.88 0.00 0.00 179.24 177.55 3mka n ASP 477 N -4.02 1.73 -3.91 2.28 8.00 -1.11 -4.93 116.55 114.58 3mka n ASP 477 Ca -0.02 -1.36 -0.26 0.00 0.71 0.00 0.00 54.79 53.86 3mka n ASP 477 Cb 0.52 0.35 -0.17 0.00 -0.02 0.00 0.00 41.12 41.80 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 -1.64 2.03 0.17 -2.24 2.15 -0.68 -5.00 116.67 111.46 3mka s ASP 478 Ca 0.14 -0.27 0.22 0.00 0.43 0.00 0.00 52.55 53.06 3mka s ASP 478 Cb 0.12 -0.79 0.89 0.00 -0.30 0.00 0.00 42.92 42.84 3mka s ASP 478 CO 0.32 -0.11 1.68 -1.54 -0.17 0.00 0.00 175.17 175.35 3mka n SER 479 N 4.81 0.47 0.15 -0.34 3.41 -1.26 -2.76 113.62 118.10 3mka n SER 479 Ca -0.14 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 3mka n SER 479 Cb 0.50 -0.71 0.17 0.00 -0.26 0.00 0.00 64.21 63.91 3mka n SER 479 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mka h ALA 480 N 2.42 0.83 -2.93 7.33 0.00 -1.94 -3.43 119.26 121.54 3mka h ALA 480 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 3mka h ALA 480 Cb 0.40 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.04 3mka h ALA 480 CO 0.00 0.00 -0.43 0.99 0.00 0.00 0.00 179.25 179.81 3mka s THR 481 N -3.22 5.29 0.09 0.00 2.01 -1.11 -4.48 115.64 114.21 3mka s THR 481 Ca 0.06 0.31 -0.19 0.00 0.31 0.00 0.00 61.69 62.17 3mka s THR 481 Cb 0.08 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 68.95 3mka s THR 481 CO 0.69 0.27 0.58 -0.83 -0.69 0.00 0.00 174.62 174.64 3mka s GLY 482 N 1.41 2.66 0.08 4.40 0.00 -1.26 -4.46 107.32 110.15 3mka s GLY 482 Ca 0.10 0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.87 3mka s GLY 482 CO 0.08 0.45 0.11 0.61 0.00 0.00 0.00 173.10 174.35 3mka n GLY 483 N 1.62 1.66 3.64 0.20 0.00 -1.26 -4.44 105.19 106.61 3mka n GLY 483 Ca -0.10 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 3mka n GLY 483 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mka s PRO 484 N -2.42 3.82 -0.76 1.61 0.04 -1.26 -4.93 135.00 131.09 3mka s PRO 484 Ca 0.08 2.39 -0.24 0.00 0.04 0.00 0.00 61.00 63.27 3mka s PRO 484 Cb -0.01 -4.22 0.06 0.00 0.04 0.00 0.00 34.50 30.37 3mka s PRO 484 CO 0.05 -1.32 1.16 0.34 0.04 0.00 0.00 177.00 177.27 3mka s ASP 485 N 5.58 6.26 0.51 6.66 -1.08 -0.58 -4.88 116.67 129.13 3mka s ASP 485 Ca 0.91 -0.96 0.30 0.00 -0.52 0.00 0.00 52.55 52.28 3mka s ASP 485 Cb -0.39 -2.49 1.00 0.00 -1.46 0.00 0.00 42.92 39.58 3mka s ASP 485 CO 0.39 -1.56 1.85 -0.07 0.52 0.00 0.00 175.17 176.30 3mka h LEU 486 N 12.07 0.00 -0.15 -1.34 4.07 -1.92 0.38 115.31 128.42 3mka h LEU 486 Ca -0.18 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.67 3mka h LEU 486 Cb 1.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.79 3mka h LEU 486 CO 1.24 0.00 -0.35 0.58 -1.08 0.00 0.00 178.44 178.83 3mka h VAL 487 N 0.00 1.36 0.00 1.22 2.07 -1.96 -3.30 116.25 115.63 3mka h VAL 487 Ca 0.00 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3mka h VAL 487 Cb 0.69 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3mka h VAL 487 CO 0.00 0.49 -1.07 0.54 0.02 0.00 0.00 177.57 177.55 3mka n ARG 488 N -4.33 0.08 -3.16 1.57 1.74 -1.22 -5.00 116.66 106.34 3mka n ARG 488 Ca -0.07 -0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.84 3mka n ARG 488 Cb 0.51 -1.51 0.05 0.00 -1.02 0.00 0.00 32.46 30.49 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 1.47 -0.03 3.67 -0.13 0.00 0.13 -5.02 105.19 105.28 3mka n GLY 489 Ca 0.03 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.21 4.89 0.30 -0.61 1.01 -0.84 -4.98 121.20 117.76 3mka s ILE 490 Ca 0.31 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.99 3mka s ILE 490 Cb -0.14 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 3mka s ILE 490 CO 0.47 0.48 0.07 -0.36 0.00 0.00 0.00 174.94 175.61 3mka s PHE 491 N 0.14 1.82 0.93 3.97 0.08 -1.26 -1.53 117.98 122.13 3mka s PHE 491 Ca 0.05 -1.03 -0.10 0.00 0.12 0.00 0.00 56.93 55.97 3mka s PHE 491 Cb -0.12 -1.15 0.15 0.00 -0.57 0.00 0.00 43.02 41.33 3mka s PHE 491 CO 0.00 -0.11 1.09 -2.30 -0.10 0.00 0.00 175.22 173.81 3mka n PRO 492 N -0.61 -0.54 -4.14 0.24 -0.02 -1.26 -4.75 135.00 123.92 3mka n PRO 492 Ca -0.01 -0.09 -0.30 0.00 -2.02 0.00 0.00 63.50 61.07 3mka n PRO 492 Cb 0.66 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.61 4.06 0.10 3.45 -4.23 -0.86 -4.95 115.64 110.60 3mka s THR 493 Ca 0.66 -0.94 -0.03 0.00 -1.18 0.00 0.00 61.69 60.21 3mka s THR 493 Cb -0.23 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 3mka s THR 493 CO 0.59 0.15 0.06 0.00 -0.54 0.00 0.00 174.62 174.88 3mka s ALA 494 N -1.29 0.51 -0.05 3.99 0.00 -1.26 -1.64 121.76 122.01 3mka s ALA 494 Ca 0.25 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 3mka s ALA 494 Cb -0.12 0.60 0.02 0.00 0.00 0.00 0.00 23.12 23.62 3mka s ALA 494 CO 0.18 -0.46 0.13 0.08 0.00 0.00 0.00 175.76 175.69 3mka s VAL 495 N -3.97 -0.01 0.09 0.00 1.01 -0.22 -1.54 120.40 115.76 3mka s VAL 495 Ca 0.15 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.26 3mka s VAL 495 Cb 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 3mka s VAL 495 CO -0.04 0.02 -0.23 -0.51 0.00 0.00 0.00 175.10 174.33 3mka s ILE 496 N 0.33 1.91 -0.04 2.22 2.07 -0.19 -1.45 121.20 126.06 3mka s ILE 496 Ca -0.02 -1.51 -0.01 0.00 -1.41 0.00 0.00 60.65 57.69 3mka s ILE 496 Cb -0.03 -1.69 0.03 0.00 0.13 0.00 0.00 42.46 40.89 3mka s ILE 496 CO -0.01 0.09 0.04 -0.63 -1.91 0.00 0.00 174.94 172.52 3mka s ILE 497 N -1.01 -0.02 0.06 2.00 1.01 0.03 0.10 121.20 123.36 3mka s ILE 497 Ca 0.09 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.07 3mka s ILE 497 Cb -0.10 -0.19 -0.00 0.00 0.01 0.00 0.00 42.46 42.18 3mka s ILE 497 CO 0.04 0.17 0.03 -0.90 0.00 0.00 0.00 174.94 174.27 3mka n ASP 498 N 4.94 0.69 -0.22 3.58 5.68 -1.07 -1.00 116.55 129.15 3mka n ASP 498 Ca -0.11 -1.32 0.31 0.00 -0.50 0.00 0.00 54.79 53.16 3mka n ASP 498 Cb 0.50 0.18 0.73 0.00 -1.14 0.00 0.00 41.12 41.39 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 1.12 2.90 -0.10 2.12 0.00 -1.92 0.24 119.26 123.62 3mka h ALA 499 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3mka h ALA 499 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3mka h ALA 499 CO 0.07 -1.26 0.00 -0.25 0.00 0.00 0.00 179.25 177.81 3mka n ASP 500 N -4.11 0.53 0.00 0.00 8.00 -1.26 -5.02 116.55 114.69 3mka n ASP 500 Ca 0.21 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3mka n ASP 500 Cb 1.09 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 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 0.68 -4.06 3.73 0.44 0.00 0.85 -5.00 105.19 101.82 3mka n GLY 501 Ca 0.04 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.03 3.51 -0.01 4.61 0.00 0.10 -2.60 121.76 126.33 3mka s ALA 502 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.77 3mka s ALA 502 Cb 0.00 -2.60 -0.00 0.00 0.00 0.00 0.00 23.12 20.52 3mka s ALA 502 CO 0.00 0.05 -0.09 0.14 0.00 0.00 0.00 175.76 175.86 3mka s VAL 503 N 0.46 0.72 0.05 0.00 -7.23 0.11 -4.97 120.40 109.55 3mka s VAL 503 Ca 0.25 -0.37 -0.31 0.00 -1.81 0.00 0.00 61.98 59.74 3mka s VAL 503 Cb -0.15 -0.62 -0.06 0.00 0.56 0.00 0.00 36.38 36.11 3mka s VAL 503 CO 0.10 0.21 1.35 -1.81 -0.31 0.00 0.00 175.10 174.64 3mka s ASP 504 N -0.09 6.89 0.21 4.85 1.01 -1.26 -1.03 116.67 127.26 3mka s ASP 504 Ca 0.02 2.17 -0.30 0.00 0.71 0.00 0.00 52.55 55.14 3mka s ASP 504 Cb -0.05 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 3mka s ASP 504 CO -0.00 -0.64 1.14 -0.69 0.21 0.00 0.00 175.17 175.19 3mka s VAL 505 N 1.63 3.63 0.23 -1.27 1.01 -0.59 -4.93 120.40 120.11 3mka s VAL 505 Ca 0.63 1.46 -0.30 0.00 0.00 0.00 0.00 61.98 63.77 3mka s VAL 505 Cb -0.33 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 3mka s VAL 505 CO 0.28 0.28 1.23 -2.16 0.00 0.00 0.00 175.10 174.73 3mka s PRO 506 N -0.68 4.46 0.18 2.72 0.04 -1.26 -4.69 135.00 135.77 3mka s PRO 506 Ca 0.49 1.98 -0.20 0.00 0.04 0.00 0.00 61.00 63.31 3mka s PRO 506 Cb -0.31 -3.19 0.12 0.00 0.04 0.00 0.00 34.50 31.15 3mka s PRO 506 CO 0.38 -0.10 1.36 -1.91 0.04 0.00 0.00 177.00 176.77 3mka n GLU 507 N 2.02 -0.27 -0.30 4.56 2.13 -1.26 0.05 120.64 127.57 3mka n GLU 507 Ca 0.03 1.35 0.18 0.00 0.66 0.00 0.00 57.16 59.38 3mka n GLU 507 Cb 0.44 -1.99 0.44 0.00 0.27 0.00 0.00 31.44 30.59 3mka n GLU 507 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3mka h SER 508 N 0.00 0.55 0.42 4.31 4.64 -1.98 0.40 113.55 121.88 3mka h SER 508 Ca 0.25 0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.52 3mka h SER 508 Cb 0.47 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3mka h SER 508 CO -0.86 0.19 -0.52 -0.09 -0.87 0.00 0.00 176.83 174.68 3mka h ARG 509 N 0.53 0.11 -0.03 4.77 2.43 -0.76 -1.88 114.38 119.57 3mka h ARG 509 Ca 0.54 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.50 3mka h ARG 509 Cb 1.15 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3mka h ARG 509 CO -0.27 0.60 -0.52 0.82 -1.51 0.00 0.00 179.97 179.10 3mka h ILE 510 N 0.09 1.43 -0.80 1.20 2.04 -0.55 -2.45 117.51 118.46 3mka h ILE 510 Ca 0.00 -1.98 0.09 0.00 1.00 0.00 0.00 64.86 63.97 3mka h ILE 510 Cb 0.94 2.51 -0.07 0.00 -0.74 0.00 0.00 36.82 39.46 3mka h ILE 510 CO 0.07 0.57 0.45 0.00 0.00 0.00 0.00 178.15 179.25 3mka h ALA 511 N 0.35 1.13 -0.26 1.87 0.00 -0.24 0.12 119.26 122.23 3mka h ALA 511 Ca -0.06 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3mka h ALA 511 Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3mka h ALA 511 CO 0.10 0.07 -0.20 1.49 0.00 0.00 0.00 179.25 180.72 3mka h GLU 512 N 0.76 0.47 -0.11 0.00 4.81 -1.31 -1.71 114.58 117.48 3mka h GLU 512 Ca 0.38 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 59.32 3mka h GLU 512 Cb 0.35 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3mka h GLU 512 CO -0.25 0.65 -0.55 1.25 -0.73 0.00 0.00 179.01 179.38 3mka h LEU 513 N 0.43 0.35 0.76 1.64 5.85 -0.70 -1.33 115.31 122.31 3mka h LEU 513 Ca 0.07 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3mka h LEU 513 Cb 0.58 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.52 3mka h LEU 513 CO 0.04 0.83 -0.36 0.00 -0.34 0.00 0.00 178.44 178.61 3mka h ALA 514 N 1.17 -1.02 -0.70 1.25 0.00 -0.33 -1.99 119.26 117.64 3mka h ALA 514 Ca 0.00 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.84 3mka h ALA 514 Cb 1.04 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 19.11 3mka h ALA 514 CO 0.09 -0.96 0.08 0.00 0.00 0.00 0.00 179.25 178.46 3mka h ARG 515 N -1.24 0.17 -0.41 0.00 2.47 -1.35 0.18 114.38 114.21 3mka h ARG 515 Ca -0.10 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.69 3mka h ARG 515 Cb 0.79 -0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.98 3mka h ARG 515 CO 0.17 0.11 -0.26 0.00 0.56 0.00 0.00 179.97 180.55 3mka h ALA 516 N 1.62 -0.04 0.34 0.04 0.00 -1.05 0.36 119.26 120.54 3mka h ALA 516 Ca 0.39 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 3mka h ALA 516 Cb 0.66 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3mka h ALA 516 CO -0.56 -0.64 -0.16 0.82 0.00 0.00 0.00 179.25 178.71 3mka h ILE 517 N -0.19 0.68 0.23 0.00 2.04 -0.06 -0.63 117.51 119.57 3mka h ILE 517 Ca 0.19 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3mka h ILE 517 Cb 0.49 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3mka h ILE 517 CO -0.52 0.03 -0.45 0.40 0.00 0.00 0.00 178.15 177.61 3mka h ILE 518 N -0.53 0.00 -0.88 -0.67 2.04 -0.42 0.09 117.51 117.14 3mka h ILE 518 Ca -0.05 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.98 3mka h ILE 518 Cb 0.40 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.31 3mka h ILE 518 CO 0.08 0.00 -0.25 -0.08 0.00 0.00 0.00 178.15 177.90 3mka h GLU 519 N -0.74 -0.01 0.00 2.37 4.81 -0.28 0.34 114.58 121.08 3mka h GLU 519 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3mka h GLU 519 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3mka h GLU 519 CO -0.18 -0.01 0.00 1.03 -0.73 0.00 0.00 179.01 179.13 3mka h SER 520 N -0.01 0.00 0.57 1.04 0.87 -0.35 -2.83 113.55 112.84 3mka h SER 520 Ca 0.41 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.69 3mka h SER 520 Cb 0.64 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 3mka h SER 520 CO -0.91 0.00 -1.57 0.03 -0.53 0.00 0.00 176.83 173.85 3mka h ARG 521 N 0.00 0.03 0.00 2.24 2.47 0.16 -3.50 114.38 115.78 3mka h ARG 521 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3mka h ARG 521 Cb 0.39 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3mka h ARG 521 CO 0.00 0.66 0.00 0.43 0.56 0.00 0.00 179.97 181.62