#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 2.55 0.15 0.00 0.11 -1.26 -5.10 120.40 116.86 3mka s VAL -38 Ca 0.00 -0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 57.96 3mka s VAL -38 Cb 0.00 -2.10 -0.07 0.00 -1.53 0.00 0.00 36.38 32.68 3mka s VAL -38 CO 0.00 0.50 1.13 -0.62 -3.33 0.00 0.00 175.10 172.79 3mka s ASP -37 N 1.17 7.20 0.00 3.54 -1.08 -1.26 -4.90 116.67 121.34 3mka s ASP -37 Ca 0.02 2.09 0.13 0.00 -0.52 0.00 0.00 52.55 54.26 3mka s ASP -37 Cb -0.14 -2.60 -0.06 0.00 -1.46 0.00 0.00 42.92 38.66 3mka s ASP -37 CO -0.06 -0.29 0.64 0.18 0.52 0.00 0.00 175.17 176.16 3mka n LEU -36 N 2.72 1.05 -3.11 -1.34 7.99 -1.26 -4.98 117.00 118.07 3mka n LEU -36 Ca 0.04 -0.65 -0.21 0.00 -0.01 0.00 0.00 56.01 55.18 3mka n LEU -36 Cb 0.46 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.83 3mka n LEU -36 CO 0.54 0.22 0.15 -1.20 -1.51 0.00 0.00 177.39 175.59 3mka n SER -35 N -0.66 -5.90 -4.38 -1.43 7.64 -1.26 -4.99 113.62 102.64 3mka n SER -35 Ca 0.04 -0.41 -0.36 0.00 1.01 0.00 0.00 58.87 59.15 3mka n SER -35 Cb 0.24 -4.58 -0.13 0.00 -1.01 0.00 0.00 64.21 58.72 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 -3.10 4.81 0.33 6.43 0.15 -1.26 -4.18 113.70 116.88 3mka s SER -34 Ca 0.44 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.83 3mka s SER -34 Cb -0.20 -1.85 0.58 0.00 -1.71 0.00 0.00 66.02 62.84 3mka s SER -34 CO 0.55 -0.05 1.80 0.15 1.20 0.00 0.00 173.24 176.90 3mka h PHE -33 N 8.19 0.37 0.72 3.44 3.57 -1.92 -2.35 116.94 128.96 3mka h PHE -33 Ca -0.39 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 3mka h PHE -33 Cb 1.16 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.81 3mka h PHE -33 CO 0.63 0.54 -0.34 1.15 -2.23 0.00 0.00 178.31 178.06 3mka h THR -32 N 0.31 0.27 -0.46 4.41 2.02 -1.94 -0.63 112.91 116.89 3mka h THR -32 Ca 0.05 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 67.24 3mka h THR -32 Cb 0.56 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 3mka h THR -32 CO 0.04 0.01 0.06 -0.78 0.37 0.00 0.00 175.52 175.22 3mka h ASP -31 N -1.01 -0.06 -0.89 4.18 3.58 -1.96 0.19 116.42 120.45 3mka h ASP -31 Ca -0.10 0.09 0.09 0.00 0.42 0.00 0.00 57.03 57.53 3mka h ASP -31 Cb 0.75 0.14 -0.07 0.00 1.72 0.00 0.00 39.33 41.86 3mka h ASP -31 CO 0.16 0.00 0.54 0.15 -2.88 0.00 0.00 179.24 177.21 3mka h PHE -30 N 0.19 0.98 -0.70 0.28 3.04 -1.26 0.86 116.94 120.32 3mka h PHE -30 Ca 0.23 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 62.16 3mka h PHE -30 Cb 0.31 -0.31 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 3mka h PHE -30 CO -0.24 0.43 0.26 -0.07 -2.02 0.00 0.00 178.31 176.67 3mka h LEU -29 N 0.91 0.98 -0.47 0.59 4.07 0.60 -0.90 115.31 121.08 3mka h LEU -29 Ca 0.42 -0.18 -0.02 0.00 0.08 0.00 0.00 57.88 58.17 3mka h LEU -29 Cb 0.33 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 3mka h LEU -29 CO -0.23 0.90 0.20 -0.09 -1.08 0.00 0.00 178.44 178.15 3mka h ARG -28 N 1.01 0.70 -0.46 1.13 2.43 0.25 4.05 114.38 123.49 3mka h ARG -28 Ca 0.23 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 3mka h ARG -28 Cb 0.24 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 3mka h ARG -28 CO -0.02 0.62 -0.02 0.00 -1.51 0.00 0.00 179.97 179.04 3mka h ARG -27 N 0.62 0.82 0.00 0.20 -0.00 0.82 -3.39 114.38 113.46 3mka h ARG -27 Ca 0.16 -0.27 0.00 0.00 -0.50 0.00 0.00 59.98 59.37 3mka h ARG -27 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.07 3mka h ARG -27 CO -0.02 0.89 -0.94 1.04 0.00 0.00 0.00 179.97 180.94 3mka n GLN -26 N -4.35 1.01 -3.31 0.04 6.02 -0.37 -4.89 117.38 111.52 3mka n GLN -26 Ca 0.00 -0.02 -0.25 0.00 -0.01 0.00 0.00 57.00 56.72 3mka n GLN -26 Cb 0.32 -0.98 -0.08 0.00 1.02 0.00 0.00 30.24 30.52 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 -1.49 3.05 -0.13 -1.58 0.00 1.33 -4.92 120.51 116.77 3mka n ALA -25 Ca -0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 53.44 49.53 3mka n ALA -25 Cb 0.05 -0.85 0.20 0.00 0.00 0.00 0.00 19.45 18.85 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 4.24 0.83 -0.93 0.00 0.11 -1.54 -3.03 132.00 131.67 3mka h PRO -24 Ca 0.13 -0.16 0.01 0.00 0.11 0.00 0.00 66.00 66.09 3mka h PRO -24 Cb 0.80 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.74 3mka h PRO -24 CO 0.59 0.73 0.62 1.05 -0.21 0.00 0.00 178.00 180.77 3mka h GLU -23 N 0.81 1.23 -0.57 1.05 4.11 -1.91 -2.79 114.58 116.51 3mka h GLU -23 Ca 0.18 -0.08 -0.07 0.00 0.07 0.00 0.00 59.36 59.47 3mka h GLU -23 Cb 0.25 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3mka h GLU -23 CO -0.01 0.82 0.09 -0.07 0.07 0.00 0.00 179.01 179.91 3mka h LEU -22 N 1.27 0.87 -9.88 3.06 4.07 -1.88 -3.44 115.31 109.37 3mka h LEU -22 Ca 0.34 -0.19 -0.53 0.00 0.08 0.00 0.00 57.88 57.58 3mka h LEU -22 Cb -0.14 -0.23 0.09 0.00 1.08 0.00 0.00 40.66 41.46 3mka h LEU -22 CO -0.07 0.88 0.79 -0.22 -1.08 0.00 0.00 178.44 178.73 3mka s LEU -21 N -9.33 4.35 -1.37 1.67 2.96 -1.05 -4.86 118.68 111.03 3mka s LEU -21 Ca -0.10 2.94 -0.13 0.00 -0.22 0.00 0.00 54.13 56.62 3mka s LEU -21 Cb 0.15 -3.65 0.09 0.00 0.50 0.00 0.00 46.19 43.27 3mka s LEU -21 CO 0.82 -0.83 2.02 -0.81 -1.32 0.00 0.00 176.35 176.23 3mka n PRO -20 N 1.16 3.15 -1.36 0.98 -0.04 -1.26 -4.40 135.00 133.22 3mka n PRO -20 Ca 0.03 -3.03 -0.15 0.00 -0.04 0.00 0.00 63.50 60.31 3mka n PRO -20 Cb 0.39 -3.20 0.11 0.00 -0.04 0.00 0.00 33.50 30.76 3mka n PRO -20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mka n ALA -19 N 5.73 4.79 -1.95 0.55 0.00 -1.26 -4.92 120.51 123.45 3mka n ALA -19 Ca 0.47 -3.49 -0.41 0.00 0.00 0.00 0.00 53.44 50.01 3mka n ALA -19 Cb 0.39 -0.64 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 3mka n ALA -19 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mka n SER -18 N -0.92 3.94 -4.32 0.00 3.41 -1.26 -4.81 113.62 109.65 3mka n SER -18 Ca 0.40 -2.83 -0.32 0.00 -0.26 0.00 0.00 58.87 55.86 3mka n SER -18 Cb 0.91 -1.62 -0.15 0.00 -0.26 0.00 0.00 64.21 63.09 3mka n SER -18 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3mka s ILE -17 N 4.58 2.49 0.19 -1.33 2.07 -1.26 -4.91 121.20 123.02 3mka s ILE -17 Ca 0.53 -0.90 0.07 0.00 -1.41 0.00 0.00 60.65 58.94 3mka s ILE -17 Cb 0.09 -1.96 -0.05 0.00 0.13 0.00 0.00 42.46 40.68 3mka s ILE -17 CO 0.02 0.56 -0.13 -0.94 -1.91 0.00 0.00 174.94 172.54 3mka s SER -16 N -0.07 2.29 0.16 4.50 1.04 -1.26 -5.04 113.70 115.32 3mka s SER -16 Ca -0.05 -1.02 0.14 0.00 0.48 0.00 0.00 55.95 55.50 3mka s SER -16 Cb -0.14 -0.09 0.51 0.00 0.10 0.00 0.00 66.02 66.39 3mka s SER -16 CO 0.04 -0.23 0.47 0.61 0.98 0.00 0.00 173.24 175.11 3mka n GLY -15 N -0.32 -0.29 3.43 7.32 0.00 -1.26 -5.05 105.19 109.03 3mka n GLY -15 Ca -0.09 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3mka n GLY -15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mka s GLN -5 N -3.72 3.61 0.42 1.61 0.74 -1.26 -5.21 119.66 115.86 3mka s GLN -5 Ca -0.02 -0.51 -0.25 0.00 0.05 0.00 0.00 55.36 54.63 3mka s GLN -5 Cb 0.09 -3.17 -0.08 0.00 1.10 0.00 0.00 33.01 30.94 3mka s GLN -5 CO 0.26 -0.09 1.24 -0.51 -0.55 0.00 0.00 175.29 175.64 3mka s LEU -4 N 1.29 4.14 0.20 3.68 1.43 -1.26 -4.74 118.68 123.42 3mka s LEU -4 Ca 0.04 2.50 -0.32 0.00 -1.03 0.00 0.00 54.13 55.32 3mka s LEU -4 Cb -0.15 -4.03 -0.14 0.00 0.03 0.00 0.00 46.19 41.91 3mka s LEU -4 CO 0.02 -0.86 1.44 -2.65 0.23 0.00 0.00 176.35 174.52 3mka n PRO -3 N -0.09 1.96 -3.86 1.29 -0.02 -1.26 -4.80 135.00 128.22 3mka n PRO -3 Ca 0.05 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.17 3mka n PRO -3 Cb 0.45 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.25 0.12 0.00 6.00 -3.43 -0.61 -0.32 115.29 117.30 3mka s HIS -2 Ca 0.73 -0.66 0.00 0.00 -0.80 0.00 0.00 55.06 54.33 3mka s HIS -2 Cb -0.69 0.77 0.00 0.00 -1.43 0.00 0.00 32.58 31.23 3mka s HIS -2 CO 0.46 -1.24 0.00 0.41 -2.00 0.00 0.00 174.74 172.37 3mka n GLY -1 N -0.64 0.83 3.43 -1.38 0.00 -1.06 -0.72 105.19 105.64 3mka n GLY -1 Ca -0.05 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.62 -0.09 4.61 0.00 -1.26 -4.37 121.76 119.03 3mka s ALA 301 Ca 0.00 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.53 3mka s ALA 301 Cb 0.00 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.97 3mka s ALA 301 CO 0.00 -0.75 -0.14 0.99 0.00 0.00 0.00 175.76 175.86 3mka s THR 302 N -3.61 1.34 -0.06 0.00 2.01 -1.26 -1.82 115.64 112.24 3mka s THR 302 Ca 0.01 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.46 3mka s THR 302 Cb -0.01 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.28 3mka s THR 302 CO -0.12 0.41 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.44 3mka s ILE 303 N 0.82 1.31 0.24 1.82 1.01 0.02 -2.65 121.20 123.77 3mka s ILE 303 Ca -0.11 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.04 3mka s ILE 303 Cb -0.15 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 3mka s ILE 303 CO 0.02 0.39 -0.18 0.68 0.00 0.00 0.00 174.94 175.84 3mka s VAL 304 N 0.40 2.18 -0.18 2.92 -7.23 0.30 -1.13 120.40 117.66 3mka s VAL 304 Ca -0.11 -2.29 -0.15 0.00 -1.81 0.00 0.00 61.98 57.62 3mka s VAL 304 Cb -0.14 -2.17 0.05 0.00 0.56 0.00 0.00 36.38 34.67 3mka s VAL 304 CO 0.04 -0.44 0.46 0.00 -0.31 0.00 0.00 175.10 174.85 3mka s ALA 305 N -2.58 -1.16 0.06 1.32 0.00 -0.64 -1.16 121.76 117.60 3mka s ALA 305 Ca 0.26 1.38 -0.08 0.00 0.00 0.00 0.00 51.96 53.51 3mka s ALA 305 Cb -0.04 -0.81 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 3mka s ALA 305 CO 0.11 -0.23 0.17 -0.48 0.00 0.00 0.00 175.76 175.33 3mka s LEU 306 N 0.46 1.50 -0.15 0.00 0.05 -0.27 -1.26 118.68 119.01 3mka s LEU 306 Ca -0.02 -0.55 -0.08 0.00 0.05 0.00 0.00 54.13 53.53 3mka s LEU 306 Cb -0.04 0.91 -0.04 0.00 -2.05 0.00 0.00 46.19 44.97 3mka s LEU 306 CO -0.02 -0.63 0.13 -0.54 -0.55 0.00 0.00 176.35 174.74 3mka s LYS 307 N -3.24 3.68 0.20 1.48 1.02 -0.09 -0.91 119.74 121.88 3mka s LYS 307 Ca 0.00 -0.17 0.07 0.00 0.02 0.00 0.00 55.97 55.88 3mka s LYS 307 Cb 0.02 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 3mka s LYS 307 CO -0.08 0.61 -0.12 1.52 -0.92 0.00 0.00 175.35 176.37 3mka s TYR 308 N -0.54 1.60 0.15 3.18 -0.85 -0.56 -4.95 117.35 115.38 3mka s TYR 308 Ca 0.12 -0.65 -0.33 0.00 -0.52 0.00 0.00 57.07 55.69 3mka s TYR 308 Cb -0.12 -0.78 -0.12 0.00 0.38 0.00 0.00 41.96 41.31 3mka s TYR 308 CO 0.02 0.25 1.71 -2.30 -1.52 0.00 0.00 175.55 173.71 3mka n PRO 309 N -0.35 2.53 -1.64 -3.49 -0.02 -1.26 -0.71 135.00 130.06 3mka n PRO 309 Ca -0.08 0.91 -0.17 0.00 -2.02 0.00 0.00 63.50 62.14 3mka n PRO 309 Cb 0.61 -2.74 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 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 3.86 1.32 3.82 -1.23 0.00 0.05 -4.82 105.19 108.20 3mka n GLY 310 Ca 0.17 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.72 -0.12 -0.00 -0.02 0.00 0.11 -4.04 107.32 100.53 3mka s GLY 311 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 44.72 44.45 3mka s GLY 311 CO 0.00 -0.03 0.20 0.54 0.00 0.00 0.00 173.10 173.81 3mka s VAL 312 N -3.62 0.07 0.04 1.40 0.11 -0.58 -1.49 120.40 116.33 3mka s VAL 312 Ca 0.12 -0.61 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 3mka s VAL 312 Cb -0.04 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.29 3mka s VAL 312 CO 0.05 -0.34 -0.08 0.54 -3.33 0.00 0.00 175.10 171.95 3mka s VAL 313 N -1.37 0.58 -0.05 2.04 0.11 -0.09 -1.45 120.40 120.19 3mka s VAL 313 Ca -0.14 -1.05 -0.04 0.00 -2.93 0.00 0.00 61.98 57.82 3mka s VAL 313 Cb -0.07 -0.64 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 3mka s VAL 313 CO 0.03 -0.34 0.12 -0.32 -3.33 0.00 0.00 175.10 171.26 3mka s MET 314 N -1.51 0.13 0.06 1.54 1.75 -0.42 -1.11 119.30 119.74 3mka s MET 314 Ca -0.09 0.21 -0.07 0.00 -1.25 0.00 0.00 55.69 54.49 3mka s MET 314 Cb -0.10 0.02 -0.01 0.00 2.84 0.00 0.00 34.83 37.59 3mka s MET 314 CO 0.01 -0.05 0.14 0.00 -0.65 0.00 0.00 175.02 174.47 3mka s ALA 315 N 0.28 -0.14 0.01 4.11 0.00 -0.31 -0.76 121.76 124.95 3mka s ALA 315 Ca -0.02 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 3mka s ALA 315 Cb -0.03 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.48 3mka s ALA 315 CO -0.01 -0.41 0.40 0.20 0.00 0.00 0.00 175.76 175.93 3mka s GLY 316 N -2.50 -0.25 1.09 0.00 0.00 -0.81 -0.54 107.32 104.31 3mka s GLY 316 Ca 0.00 0.40 -0.18 0.00 0.00 0.00 0.00 44.72 44.94 3mka s GLY 316 CO -0.08 0.15 1.26 0.51 0.00 0.00 0.00 173.10 174.95 3mka s ASP 317 N -1.69 1.95 0.00 1.64 1.47 -1.09 -2.15 116.67 116.81 3mka s ASP 317 Ca -0.09 0.28 0.03 0.00 1.18 0.00 0.00 52.55 53.96 3mka s ASP 317 Cb -0.02 -0.30 0.02 0.00 -0.34 0.00 0.00 42.92 42.28 3mka s ASP 317 CO 0.01 -3.46 0.59 0.54 0.68 0.00 0.00 175.17 173.54 3mka n ARG 318 N -4.25 -0.51 -2.67 2.11 5.12 -1.26 -4.55 116.66 110.64 3mka n ARG 318 Ca 0.16 -0.67 -0.32 0.00 -1.93 0.00 0.00 57.85 55.09 3mka n ARG 318 Cb 0.59 -1.05 -0.05 0.00 -1.16 0.00 0.00 32.46 30.79 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 -0.26 4.05 -0.02 5.56 3.52 -1.26 -2.06 118.95 128.47 3mka s ARG 319 Ca 0.03 0.95 0.00 0.00 -0.13 0.00 0.00 55.73 56.59 3mka s ARG 319 Cb 0.03 -2.20 0.02 0.00 -1.56 0.00 0.00 34.95 31.24 3mka s ARG 319 CO 0.04 -0.12 0.01 0.45 -0.81 0.00 0.00 175.30 174.87 3mka s SER 320 N -2.66 0.25 0.12 -2.12 0.15 -0.24 -4.63 113.70 104.57 3mka s SER 320 Ca 0.59 -0.01 0.06 0.00 0.70 0.00 0.00 55.95 57.29 3mka s SER 320 Cb -0.10 -0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 3mka s SER 320 CO 0.23 -0.08 -0.13 0.42 1.20 0.00 0.00 173.24 174.87 3mka s THR 321 N 0.80 1.28 -0.37 6.45 -4.23 0.10 0.31 115.64 119.97 3mka s THR 321 Ca -0.07 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 3mka s THR 321 Cb -0.11 -1.52 0.11 0.00 1.34 0.00 0.00 72.50 72.33 3mka s THR 321 CO -0.02 -0.45 0.15 -1.10 -0.54 0.00 0.00 174.62 172.67 3mka s GLN 322 N -2.73 1.06 7.24 3.99 -0.21 0.21 -1.57 119.66 127.66 3mka s GLN 322 Ca 0.09 -1.58 0.00 0.00 0.02 0.00 0.00 55.36 53.89 3mka s GLN 322 Cb -0.04 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.65 3mka s GLN 322 CO 0.03 -1.05 0.00 0.41 -2.12 0.00 0.00 175.29 172.55 3mka n GLY 323 N 4.22 2.13 0.04 3.09 0.00 -1.26 -2.28 105.19 111.13 3mka n GLY 323 Ca 0.03 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 7.33 0.62 -4.76 1.61 3.02 -1.26 -4.91 115.26 116.91 3mka n ASN 324 Ca 0.00 -0.11 -0.40 0.00 -0.03 0.00 0.00 54.58 54.04 3mka n ASN 324 Cb 0.00 0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 39.83 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 -3.22 4.75 -0.33 3.52 -1.94 -0.97 -4.99 119.30 116.12 3mka s MET 325 Ca 0.03 1.60 -0.26 0.00 -1.71 0.00 0.00 55.69 55.35 3mka s MET 325 Cb 0.14 -3.21 0.01 0.00 2.01 0.00 0.00 34.83 33.78 3mka s MET 325 CO 0.79 0.38 0.95 0.42 -0.01 0.00 0.00 175.02 177.55 3mka s ILE 326 N -1.20 4.60 -0.16 2.53 1.01 -1.26 -0.62 121.20 126.10 3mka s ILE 326 Ca 0.43 1.41 0.17 0.00 0.00 0.00 0.00 60.65 62.66 3mka s ILE 326 Cb -0.28 -4.32 -0.25 0.00 0.01 0.00 0.00 42.46 37.62 3mka s ILE 326 CO 0.35 -0.44 0.23 -1.54 0.00 0.00 0.00 174.94 173.54 3mka n SER 327 N 6.67 0.18 -3.93 3.58 3.41 0.15 -4.92 113.62 118.77 3mka n SER 327 Ca 0.08 0.09 -0.10 0.00 -0.26 0.00 0.00 58.87 58.68 3mka n SER 327 Cb 0.48 0.86 -0.12 0.00 -0.26 0.00 0.00 64.21 65.17 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 -5.32 0.14 0.00 5.00 0.00 -0.48 -4.93 107.32 101.73 3mka s GLY 328 Ca -0.09 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.29 3mka s GLY 328 CO 0.83 -0.41 0.50 -0.96 0.00 0.00 0.00 173.10 173.06 3mka n ARG 329 N 1.96 0.16 0.00 2.90 1.85 -1.26 -1.08 116.66 121.19 3mka n ARG 329 Ca -0.21 -0.60 0.00 0.00 -1.00 0.00 0.00 57.85 56.04 3mka n ARG 329 Cb 0.56 -0.84 0.00 0.00 -1.05 0.00 0.00 32.46 31.13 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 -0.11 0.76 -4.57 2.89 5.75 -1.16 -4.61 116.55 115.50 3mka n ASP 330 Ca 0.00 -1.00 -0.52 0.00 -0.01 0.00 0.00 54.79 53.27 3mka n ASP 330 Cb 0.16 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.20 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 -0.00 0.35 -4.02 2.12 0.31 -0.88 -4.98 118.33 111.24 3mka n VAL 331 Ca 0.00 -0.09 -0.35 0.00 -0.01 0.00 0.00 64.34 63.89 3mka n VAL 331 Cb 0.06 -0.73 -0.10 0.00 -0.91 0.00 0.00 33.84 32.16 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 0.10 3.90 0.00 5.55 3.52 -1.26 -4.23 118.95 126.53 3mka s ARG 332 Ca 0.81 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.03 3mka s ARG 332 Cb -0.95 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.24 3mka s ARG 332 CO 0.50 0.20 0.29 1.63 -0.81 0.00 0.00 175.30 177.11 3mka n LYS 333 N 3.74 1.79 -4.62 5.12 5.02 -1.26 -4.98 118.16 122.97 3mka n LYS 333 Ca -0.17 -0.29 -0.33 0.00 -2.02 0.00 0.00 58.31 55.50 3mka n LYS 333 Cb 0.52 -0.78 -0.15 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.34 2.74 -0.01 -0.18 1.01 -1.26 -2.22 120.40 120.14 3mka s VAL 334 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.26 3mka s VAL 334 Cb 0.00 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 3mka s VAL 334 CO 0.00 0.52 -0.09 -0.31 0.00 0.00 0.00 175.10 175.22 3mka s TYR 335 N 0.68 0.85 -0.10 5.22 2.02 -0.35 -4.98 117.35 120.69 3mka s TYR 335 Ca -0.07 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.15 3mka s TYR 335 Cb -0.16 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.81 3mka s TYR 335 CO 0.02 -0.04 1.24 0.42 -1.57 0.00 0.00 175.55 175.62 3mka s ILE 336 N -0.08 4.24 -0.56 2.71 1.01 -1.26 -0.70 121.20 126.56 3mka s ILE 336 Ca 0.01 1.54 0.19 0.00 0.00 0.00 0.00 60.65 62.39 3mka s ILE 336 Cb -0.05 -3.99 -0.24 0.00 0.01 0.00 0.00 42.46 38.19 3mka s ILE 336 CO -0.00 -0.06 0.65 0.35 0.00 0.00 0.00 174.94 175.88 3mka n THR 337 N 4.97 0.00 -3.87 2.92 -2.24 0.21 -4.93 114.28 111.34 3mka n THR 337 Ca 0.12 -0.20 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 3mka n THR 337 Cb 0.45 0.66 0.02 0.00 -2.10 0.00 0.00 70.33 69.36 3mka n THR 337 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3mka n ASP 338 N -1.70 -1.66 0.32 3.42 5.68 -1.17 -4.59 116.55 116.86 3mka n ASP 338 Ca 0.01 -1.88 0.20 0.00 -0.50 0.00 0.00 54.79 52.63 3mka n ASP 338 Cb 0.37 2.69 1.10 0.00 -1.14 0.00 0.00 41.12 44.14 3mka n ASP 338 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3mka h ASP 339 N 1.86 0.00 0.00 -1.12 3.32 -1.95 -3.10 116.42 115.43 3mka h ASP 339 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3mka h ASP 339 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3mka h ASP 339 CO 0.35 0.01 -0.15 -1.22 -1.72 0.00 0.00 179.24 176.51 3mka n TYR 340 N -3.26 0.00 -3.80 4.55 4.01 -1.26 -0.61 117.16 116.79 3mka n TYR 340 Ca -0.03 -0.60 -0.11 0.00 -0.16 0.00 0.00 57.90 57.01 3mka n TYR 340 Cb 0.10 -0.10 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.67 0.10 0.03 -0.72 -4.23 -1.17 -0.32 115.64 107.66 3mka s THR 341 Ca 0.17 -0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.85 3mka s THR 341 Cb 0.15 -0.94 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 3mka s THR 341 CO 0.02 -0.44 0.06 0.00 -0.54 0.00 0.00 174.62 173.71 3mka s ALA 342 N -2.61 0.03 0.02 3.99 0.00 0.42 -0.62 121.76 122.99 3mka s ALA 342 Ca -0.05 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.34 3mka s ALA 342 Cb -0.01 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 3mka s ALA 342 CO -0.04 -0.28 -0.13 0.95 0.00 0.00 0.00 175.76 176.26 3mka s THR 343 N -2.44 0.99 -0.08 0.00 -4.23 0.13 -1.25 115.64 108.75 3mka s THR 343 Ca -0.06 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.64 3mka s THR 343 Cb -0.02 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.94 3mka s THR 343 CO -0.04 0.05 -0.20 -0.83 -0.54 0.00 0.00 174.62 173.06 3mka s GLY 344 N -0.90 1.12 -0.10 3.99 0.00 -0.57 -1.22 107.32 109.64 3mka s GLY 344 Ca 0.01 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.99 3mka s GLY 344 CO 0.01 -0.19 -0.16 -0.42 0.00 0.00 0.00 173.10 172.33 3mka s ILE 345 N 0.41 1.55 0.17 0.90 1.01 -0.94 -0.22 121.20 124.07 3mka s ILE 345 Ca -0.16 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 59.88 3mka s ILE 345 Cb -0.17 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3mka s ILE 345 CO 0.07 0.45 -0.05 0.00 0.00 0.00 0.00 174.94 175.41 3mka s ALA 346 N 0.82 3.08 0.00 9.38 0.00 -1.06 -4.92 121.76 129.06 3mka s ALA 346 Ca -0.10 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.48 3mka s ALA 346 Cb -0.16 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.07 3mka s ALA 346 CO 0.01 0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.68 3mka n GLY 347 N 0.06 0.50 3.73 0.00 0.00 -1.26 0.04 105.19 108.27 3mka n GLY 347 Ca -0.11 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 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 -4.00 3.59 0.17 2.61 2.01 0.99 -2.56 115.64 118.44 3mka s THR 348 Ca 0.00 1.29 -0.13 0.00 0.31 0.00 0.00 61.69 63.16 3mka s THR 348 Cb 0.00 -3.82 0.06 0.00 0.01 0.00 0.00 72.50 68.75 3mka s THR 348 CO 0.00 0.18 1.73 0.00 -0.69 0.00 0.00 174.62 175.84 3mka h ALA 349 N 5.60 0.73 -0.46 7.40 0.00 -1.01 -1.86 119.26 129.67 3mka h ALA 349 Ca -0.44 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 3mka h ALA 349 Cb 1.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3mka h ALA 349 CO 0.77 0.32 0.17 0.00 0.00 0.00 0.00 179.25 180.51 3mka h ALA 350 N 1.09 0.59 -0.55 0.00 0.00 -1.93 -2.52 119.26 115.94 3mka h ALA 350 Ca 0.19 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3mka h ALA 350 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3mka h ALA 350 CO -0.02 0.21 0.06 0.28 0.00 0.00 0.00 179.25 179.78 3mka h VAL 351 N 0.59 1.26 -0.48 0.00 2.07 -1.91 -2.91 116.25 114.87 3mka h VAL 351 Ca 0.15 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3mka h VAL 351 Cb 0.21 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3mka h VAL 351 CO -0.01 0.37 0.18 0.00 0.02 0.00 0.00 177.57 178.13 3mka h ALA 352 N 0.98 0.63 -0.71 1.67 0.00 -1.22 -2.18 119.26 118.43 3mka h ALA 352 Ca 0.16 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3mka h ALA 352 Cb 0.46 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3mka h ALA 352 CO 0.02 0.25 0.18 -0.24 0.00 0.00 0.00 179.25 179.46 3mka h VAL 353 N 0.64 1.26 -0.76 0.00 3.04 -1.46 -2.35 116.25 116.62 3mka h VAL 353 Ca 0.16 -0.96 -0.05 0.00 -1.01 0.00 0.00 66.70 64.84 3mka h VAL 353 Cb 0.21 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 29.98 3mka h VAL 353 CO -0.01 0.37 0.28 -0.33 -1.01 0.00 0.00 177.57 176.87 3mka h GLU 354 N 1.07 1.15 -0.67 4.17 5.08 -1.36 -2.90 114.58 121.12 3mka h GLU 354 Ca 0.22 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3mka h GLU 354 Cb 0.36 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3mka h GLU 354 CO 0.00 0.95 0.29 0.74 -1.00 0.00 0.00 179.01 179.99 3mka h PHE 355 N 1.11 1.01 -0.50 4.33 -1.00 -1.10 -2.51 116.94 118.28 3mka h PHE 355 Ca 0.25 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.94 3mka h PHE 355 Cb 0.25 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 3mka h PHE 355 CO 0.02 0.78 0.21 0.00 -1.61 0.00 0.00 178.31 177.71 3mka h ALA 356 N 1.13 0.64 -0.41 2.45 0.00 -1.22 -0.50 119.26 121.35 3mka h ALA 356 Ca 0.23 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3mka h ALA 356 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3mka h ALA 356 CO -0.02 0.24 0.01 -0.09 0.00 0.00 0.00 179.25 179.39 3mka h ARG 357 N 0.66 0.71 -0.22 0.00 2.43 -1.53 -2.89 114.38 113.53 3mka h ARG 357 Ca 0.17 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3mka h ARG 357 Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 3mka h ARG 357 CO -0.02 0.79 0.05 1.25 -1.51 0.00 0.00 179.97 180.54 3mka h LEU 358 N 0.55 0.34 -1.53 3.80 5.85 -1.33 -2.43 115.31 120.56 3mka h LEU 358 Ca 0.12 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 3mka h LEU 358 Cb 0.47 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3mka h LEU 358 CO 0.02 0.48 -0.10 0.22 -0.34 0.00 0.00 178.44 178.73 3mka h TYR 359 N 0.18 0.18 -0.17 1.25 3.20 -1.09 -0.19 116.97 120.34 3mka h TYR 359 Ca 0.07 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.74 3mka h TYR 359 Cb 0.28 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 3mka h TYR 359 CO 0.01 0.28 -0.66 0.00 -1.64 0.00 0.00 178.16 176.16 3mka h ALA 360 N 1.73 0.52 -0.30 1.82 0.00 -1.39 -2.42 119.26 119.22 3mka h ALA 360 Ca 0.04 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 3mka h ALA 360 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3mka h ALA 360 CO 0.02 0.70 -0.10 0.28 0.00 0.00 0.00 179.25 180.15 3mka h VAL 361 N 0.47 1.29 -0.74 0.00 2.07 -0.98 -2.26 116.25 116.09 3mka h VAL 361 Ca -0.02 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.39 3mka h VAL 361 Cb 1.24 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 3mka h VAL 361 CO 0.13 0.37 0.48 -0.08 0.02 0.00 0.00 177.57 178.49 3mka h GLU 362 N 0.36 0.79 -0.09 1.57 4.57 -1.00 0.16 114.58 120.94 3mka h GLU 362 Ca 0.07 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.13 3mka h GLU 362 Cb 0.60 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3mka h GLU 362 CO 0.04 0.52 -0.23 -0.07 -1.18 0.00 0.00 179.01 178.08 3mka h LEU 363 N 0.81 0.37 -1.01 1.64 4.07 -1.27 -2.88 115.31 117.03 3mka h LEU 363 Ca 0.31 -0.58 -0.08 0.00 0.08 0.00 0.00 57.88 57.61 3mka h LEU 363 Cb 0.19 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 3mka h LEU 363 CO -0.10 0.88 -0.38 -0.08 -1.08 0.00 0.00 178.44 177.69 3mka h GLU 364 N -0.13 0.00 -0.18 1.13 4.81 -1.09 -2.83 114.58 116.29 3mka h GLU 364 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3mka h GLU 364 Cb 0.84 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 3mka h GLU 364 CO 0.05 0.38 0.01 1.25 -0.73 0.00 0.00 179.01 179.97 3mka h HIS 365 N 0.00 0.34 -0.38 0.92 2.76 -0.70 -1.92 115.15 116.16 3mka h HIS 365 Ca -0.00 -0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.07 3mka h HIS 365 Cb 0.86 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.71 3mka h HIS 365 CO 0.00 0.50 0.05 -0.92 -1.30 0.00 0.00 177.93 176.26 3mka h TYR 366 N 0.07 0.59 -0.44 5.26 3.20 -1.41 -1.62 116.97 122.63 3mka h TYR 366 Ca 0.05 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 3mka h TYR 366 Cb 0.36 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3mka h TYR 366 CO 0.03 0.55 0.01 1.49 -1.64 0.00 0.00 178.16 178.59 3mka h GLU 367 N 0.56 0.77 -0.39 1.82 4.81 -1.28 -0.77 114.58 120.10 3mka h GLU 367 Ca 0.12 -0.24 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 3mka h GLU 367 Cb 0.29 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3mka h GLU 367 CO 0.00 0.83 -0.34 0.87 -0.73 0.00 0.00 179.01 179.65 3mka h LYS 368 N 0.61 0.89 -0.31 1.92 1.57 -1.08 0.54 116.57 120.72 3mka h LYS 368 Ca 0.13 -0.43 -0.14 0.00 -1.87 0.00 0.00 60.65 58.33 3mka h LYS 368 Cb 0.48 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3mka h LYS 368 CO 0.02 1.08 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.53 3mka h LEU 369 N 0.74 0.76 -1.22 2.94 3.38 -1.20 -3.30 115.31 117.41 3mka h LEU 369 Ca 0.07 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3mka h LEU 369 Cb 0.91 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3mka h LEU 369 CO 0.08 1.06 -0.17 -0.62 0.09 0.00 0.00 178.44 178.88 3mka n GLU 370 N -4.05 1.51 -0.86 1.13 -0.58 -0.30 -4.97 120.64 112.53 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 0.52 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 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 1.03 0.44 3.13 0.62 0.00 0.19 -4.94 105.19 105.66 3mka n GLY 371 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.23 -0.00 0.65 1.61 0.11 -1.15 -4.99 120.40 114.40 3mka s VAL 372 Ca 0.00 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 3mka s VAL 372 Cb 0.00 -0.35 -0.00 0.00 -1.53 0.00 0.00 36.38 34.50 3mka s VAL 372 CO 0.00 0.00 1.11 -2.16 -3.33 0.00 0.00 175.10 170.73 3mka s PRO 373 N 0.16 2.84 0.56 1.54 0.04 -1.26 -4.24 135.00 134.63 3mka s PRO 373 Ca -0.00 1.42 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 3mka s PRO 373 Cb -0.02 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3mka s PRO 373 CO 0.00 -1.22 1.29 -0.51 0.04 0.00 0.00 177.00 176.60 3mka s LEU 374 N -4.78 3.78 0.80 -3.56 1.02 -1.26 -5.00 118.68 109.69 3mka s LEU 374 Ca 0.68 2.61 -0.11 0.00 0.02 0.00 0.00 54.13 57.33 3mka s LEU 374 Cb -0.21 -4.40 0.07 0.00 0.02 0.00 0.00 46.19 41.67 3mka s LEU 374 CO 0.40 -1.58 1.10 0.42 0.02 0.00 0.00 176.35 176.71 3mka s THR 375 N -1.41 3.12 0.16 5.49 -4.23 -1.26 -4.75 115.64 112.77 3mka s THR 375 Ca 0.74 0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 61.45 3mka s THR 375 Cb -0.36 -2.80 0.05 0.00 1.34 0.00 0.00 72.50 70.73 3mka s THR 375 CO 0.42 -0.48 1.71 0.15 -0.54 0.00 0.00 174.62 175.88 3mka h PHE 376 N -1.26 0.01 -0.62 3.99 3.57 -1.97 1.00 116.94 121.66 3mka h PHE 376 Ca -0.44 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.22 3mka h PHE 376 Cb 1.24 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 3mka h PHE 376 CO 0.55 -0.05 0.43 0.00 -2.23 0.00 0.00 178.31 177.01 3mka h ALA 377 N 1.31 2.22 -0.14 2.41 0.00 -2.00 -0.70 119.26 122.35 3mka h ALA 377 Ca 0.18 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 3mka h ALA 377 Cb 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3mka h ALA 377 CO -0.28 -0.38 -0.75 0.78 0.00 0.00 0.00 179.25 178.62 3mka h GLY 378 N 0.27 0.77 1.26 0.00 0.00 -1.21 -2.03 103.07 102.12 3mka h GLY 378 Ca 0.30 -1.07 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 3mka h GLY 378 CO -0.07 0.95 0.25 0.50 0.00 0.00 0.00 176.54 178.18 3mka h LYS 379 N 0.48 0.94 0.18 4.80 1.57 0.35 -1.64 116.57 123.25 3mka h LYS 379 Ca -0.04 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3mka h LYS 379 Cb 1.36 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3mka h LYS 379 CO 0.15 0.77 -0.09 0.82 -0.57 0.00 0.00 179.45 180.54 3mka h ILE 380 N 0.92 0.91 -0.81 1.86 2.04 -1.30 -2.33 117.51 118.80 3mka h ILE 380 Ca 0.22 -0.46 0.08 0.00 1.00 0.00 0.00 64.86 65.70 3mka h ILE 380 Cb 0.19 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 3mka h ILE 380 CO -0.02 0.11 0.53 -1.13 0.00 0.00 0.00 178.15 177.64 3mka h ASN 381 N -0.46 0.72 -0.25 1.72 -0.73 -1.21 -0.67 115.58 114.69 3mka h ASN 381 Ca -0.02 0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.07 3mka h ASN 381 Cb 0.36 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 3mka h ASN 381 CO 0.04 0.44 -0.17 -0.09 -0.37 0.00 0.00 177.43 177.28 3mka h ARG 382 N 0.80 0.57 -0.82 6.67 9.65 -1.15 -2.18 114.38 127.91 3mka h ARG 382 Ca 0.36 -0.27 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 3mka h ARG 382 Cb 0.36 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 3mka h ARG 382 CO -0.14 0.85 0.47 1.25 2.80 0.00 0.00 179.97 185.19 3mka h LEU 383 N 0.28 1.01 -1.17 3.80 5.85 -0.83 -2.45 115.31 121.80 3mka h LEU 383 Ca 0.05 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3mka h LEU 383 Cb 0.70 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3mka h LEU 383 CO 0.05 0.81 0.56 0.00 -0.34 0.00 0.00 178.44 179.52 3mka h ALA 384 N 1.25 1.42 -0.41 1.25 0.00 -0.97 -0.36 119.26 121.43 3mka h ALA 384 Ca 0.29 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3mka h ALA 384 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3mka h ALA 384 CO -0.05 0.53 -0.09 0.82 0.00 0.00 0.00 179.25 180.46 3mka h ILE 385 N 1.13 1.27 -0.37 0.00 2.04 -0.95 -0.18 117.51 120.45 3mka h ILE 385 Ca 0.32 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 3mka h ILE 385 Cb -0.09 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3mka h ILE 385 CO -0.08 0.40 0.23 0.24 0.00 0.00 0.00 178.15 178.94 3mka h MET 386 N 0.61 0.50 0.81 2.37 2.86 -0.98 -0.60 114.93 120.51 3mka h MET 386 Ca 0.10 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 3mka h MET 386 Cb 0.62 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3mka h MET 386 CO 0.04 0.37 -0.43 0.28 1.06 0.00 0.00 176.91 178.22 3mka h VAL 387 N 0.49 0.12 -0.95 -2.22 2.07 -0.96 -2.92 116.25 111.89 3mka h VAL 387 Ca 0.13 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.87 3mka h VAL 387 Cb -0.01 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 29.81 3mka h VAL 387 CO -0.03 0.00 0.62 -0.09 0.02 0.00 0.00 177.57 178.10 3mka h ARG 388 N -1.15 0.40 0.00 1.57 2.43 -0.84 0.35 114.38 117.15 3mka h ARG 388 Ca -0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3mka h ARG 388 Cb 0.90 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3mka h ARG 388 CO 0.15 0.26 0.00 0.41 -1.51 0.00 0.00 179.97 179.29 3mka n GLY 389 N -1.51 -0.84 0.12 2.80 0.00 -0.25 -2.48 105.19 103.04 3mka n GLY 389 Ca 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.53 1.46 -0.17 1.61 5.15 0.12 -4.75 115.26 118.15 3mka n ASN 390 Ca 0.01 -1.32 -0.02 0.00 -0.60 0.00 0.00 54.58 52.65 3mka n ASN 390 Cb 0.01 -0.01 0.05 0.00 -0.53 0.00 0.00 39.78 39.29 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 0.52 -0.43 -0.73 1.20 5.85 -1.52 0.28 115.31 120.48 3mka h LEU 391 Ca 0.00 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3mka h LEU 391 Cb 0.22 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 3mka h LEU 391 CO 0.00 -0.15 0.45 0.00 -0.34 0.00 0.00 178.44 178.39 3mka h ALA 392 N 1.51 0.96 -0.01 1.25 0.00 -1.85 -0.75 119.26 120.37 3mka h ALA 392 Ca 0.26 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 3mka h ALA 392 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3mka h ALA 392 CO -0.52 0.21 -0.62 0.00 0.00 0.00 0.00 179.25 178.32 3mka h ALA 393 N 1.33 0.94 -0.07 0.00 0.00 -1.74 -2.92 119.26 116.79 3mka h ALA 393 Ca 0.30 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3mka h ALA 393 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3mka h ALA 393 CO -0.13 0.77 -0.47 0.00 0.00 0.00 0.00 179.25 179.42 3mka h ALA 394 N 1.34 1.08 0.00 0.00 0.00 0.62 -1.00 119.26 121.29 3mka h ALA 394 Ca -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3mka h ALA 394 Cb 1.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3mka h ALA 394 CO 0.08 0.62 -0.07 0.52 0.00 0.00 0.00 179.25 180.41 3mka h MET 395 N 0.15 0.00 -0.66 0.00 2.86 -0.99 -2.05 114.93 114.23 3mka h MET 395 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3mka h MET 395 Cb 0.88 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.54 3mka h MET 395 CO 0.07 0.07 0.00 1.04 1.06 0.00 0.00 176.91 179.15 3mka n GLN 396 N -3.56 3.53 -0.16 1.72 6.02 -0.72 -4.94 117.38 119.27 3mka n GLN 396 Ca -0.02 -2.84 0.00 0.00 -0.01 0.00 0.00 57.00 54.13 3mka n GLN 396 Cb 0.19 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.63 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 1.22 0.70 2.68 1.08 0.00 -0.77 -4.96 105.19 105.14 3mka n GLY 397 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 7.32 -4.60 0.99 4.77 -0.46 -4.76 117.00 120.26 3mka n LEU 398 Ca 0.00 -4.80 -0.36 0.00 -0.03 0.00 0.00 56.01 50.82 3mka n LEU 398 Cb 0.00 -1.41 -0.10 0.00 -2.33 0.00 0.00 43.42 39.58 3mka n LEU 398 CO 0.00 1.73 -0.22 -0.22 -1.33 0.00 0.00 177.39 177.35 3mka s LEU 399 N -1.29 3.86 -0.13 2.23 2.96 -1.26 -3.75 118.68 121.30 3mka s LEU 399 Ca 0.46 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 3mka s LEU 399 Cb 0.14 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.83 3mka s LEU 399 CO -0.04 0.08 -0.16 0.00 -1.32 0.00 0.00 176.35 174.92 3mka s ALA 400 N 0.95 1.82 -0.28 5.97 0.00 -1.26 -0.01 121.76 128.94 3mka s ALA 400 Ca 0.05 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3mka s ALA 400 Cb -0.14 -0.94 0.06 0.00 0.00 0.00 0.00 23.12 22.11 3mka s ALA 400 CO 0.03 -0.19 -0.05 -1.17 0.00 0.00 0.00 175.76 174.38 3mka s LEU 401 N 1.17 3.75 0.34 0.00 2.96 0.11 -4.98 118.68 122.03 3mka s LEU 401 Ca -0.02 -1.42 -0.09 0.00 -0.22 0.00 0.00 54.13 52.38 3mka s LEU 401 Cb -0.14 -1.62 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 3mka s LEU 401 CO -0.05 -0.24 0.67 -2.16 -1.32 0.00 0.00 176.35 173.24 3mka s PRO 402 N 1.14 3.75 -0.09 0.98 0.04 -1.26 -2.58 135.00 136.98 3mka s PRO 402 Ca -0.06 0.30 0.03 0.00 0.04 0.00 0.00 61.00 61.32 3mka s PRO 402 Cb -0.20 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.83 3mka s PRO 402 CO -0.04 0.11 -0.20 -1.17 0.04 0.00 0.00 177.00 175.73 3mka s LEU 403 N -3.56 1.96 -0.12 -3.56 2.96 0.69 -3.48 118.68 113.57 3mka s LEU 403 Ca 0.48 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.91 3mka s LEU 403 Cb -0.11 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 3mka s LEU 403 CO 0.29 0.12 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.10 3mka s LEU 404 N 0.46 2.83 -0.05 -0.68 2.96 0.55 -1.51 118.68 123.23 3mka s LEU 404 Ca -0.17 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 3mka s LEU 404 Cb -0.17 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3mka s LEU 404 CO 0.07 0.20 -0.23 0.00 -1.32 0.00 0.00 176.35 175.07 3mka s ALA 405 N 0.17 1.97 0.17 5.97 0.00 -0.38 -0.45 121.76 129.21 3mka s ALA 405 Ca -0.06 -0.94 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 3mka s ALA 405 Cb -0.15 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.38 3mka s ALA 405 CO 0.04 0.37 0.48 0.20 0.00 0.00 0.00 175.76 176.86 3mka s GLY 406 N -0.09 -0.18 -0.16 0.00 0.00 -0.45 -0.44 107.32 106.02 3mka s GLY 406 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 44.72 44.54 3mka s GLY 406 CO 0.03 -0.26 -0.10 -0.47 0.00 0.00 0.00 173.10 172.30 3mka s TYR 407 N -3.84 2.87 -0.43 1.90 5.04 0.56 0.37 117.35 123.82 3mka s TYR 407 Ca 0.07 -0.70 -0.15 0.00 -2.44 0.00 0.00 57.07 53.84 3mka s TYR 407 Cb 0.00 -1.92 0.04 0.00 0.35 0.00 0.00 41.96 40.43 3mka s TYR 407 CO -0.07 -0.29 0.33 0.34 -1.34 0.00 0.00 175.55 174.53 3mka s ASP 408 N 0.64 6.11 0.24 4.32 2.15 -0.80 -4.87 116.67 124.45 3mka s ASP 408 Ca -0.06 -1.08 -0.04 0.00 0.43 0.00 0.00 52.55 51.80 3mka s ASP 408 Cb -0.15 -2.16 0.27 0.00 -0.30 0.00 0.00 42.92 40.58 3mka s ASP 408 CO 0.03 -0.53 1.77 0.16 -0.17 0.00 0.00 175.17 176.43 3mka h ILE 409 N 5.69 1.25 0.00 4.11 3.07 -1.98 -2.90 117.51 126.75 3mka h ILE 409 Ca -0.27 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.21 3mka h ILE 409 Cb 1.12 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.32 3mka h ILE 409 CO 0.79 0.34 0.00 1.41 -1.05 0.00 0.00 178.15 179.64 3mka n HIS 410 N -4.24 0.64 -1.87 0.16 8.25 -1.26 -4.82 115.22 112.08 3mka n HIS 410 Ca 0.04 0.24 -0.40 0.00 -0.26 0.00 0.00 57.72 57.35 3mka n HIS 410 Cb 0.26 -0.89 0.01 0.00 1.12 0.00 0.00 29.99 30.48 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 -3.22 3.24 0.23 -1.41 0.00 -1.10 -4.91 121.76 114.59 3mka s ALA 411 Ca 0.06 1.40 -0.07 0.00 0.00 0.00 0.00 51.96 53.35 3mka s ALA 411 Cb 0.10 -3.56 0.19 0.00 0.00 0.00 0.00 23.12 19.85 3mka s ALA 411 CO 0.39 -1.10 1.83 0.66 0.00 0.00 0.00 175.76 177.55 3mka h SER 412 N 2.41 1.12 -3.47 0.00 4.64 -1.90 -3.41 113.55 112.93 3mka h SER 412 Ca -0.51 -0.12 -0.64 0.00 -0.47 0.00 0.00 61.79 60.05 3mka h SER 412 Cb 1.26 -0.29 -0.22 0.00 -0.31 0.00 0.00 62.40 62.85 3mka h SER 412 CO 0.61 0.92 -0.63 -0.62 -0.87 0.00 0.00 176.83 176.24 3mka s ASP 413 N -6.26 5.05 0.25 4.97 2.15 -1.26 -4.99 116.67 116.58 3mka s ASP 413 Ca -0.13 -0.16 -0.04 0.00 0.43 0.00 0.00 52.55 52.66 3mka s ASP 413 Cb 0.16 -1.88 0.31 0.00 -0.30 0.00 0.00 42.92 41.22 3mka s ASP 413 CO 0.83 0.06 1.81 1.55 -0.17 0.00 0.00 175.17 179.24 3mka h PRO 414 N 7.56 0.97 -0.72 4.34 0.13 -1.94 -2.31 132.00 140.04 3mka h PRO 414 Ca -0.36 -0.19 -0.04 0.00 -0.87 0.00 0.00 66.00 64.53 3mka h PRO 414 Cb 1.18 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 3mka h PRO 414 CO 0.61 0.83 0.28 1.96 -0.23 0.00 0.00 178.00 181.46 3mka h GLN 415 N 0.94 1.07 -0.49 0.86 1.08 -1.92 -2.74 115.11 113.90 3mka h GLN 415 Ca 0.21 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3mka h GLN 415 Cb 0.27 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3mka h GLN 415 CO -0.01 0.87 0.00 -1.13 -0.95 0.00 0.00 178.83 177.61 3mka n SER 416 N -4.29 2.82 -0.08 1.46 3.41 -1.11 -0.77 113.62 115.06 3mka n SER 416 Ca 0.06 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3mka n SER 416 Cb 0.18 -0.33 0.29 0.00 -0.26 0.00 0.00 64.21 64.10 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 4.04 1.45 -3.01 7.33 0.00 -1.09 -3.45 119.26 124.52 3mka h ALA 417 Ca 0.00 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.24 3mka h ALA 417 Cb 0.72 -0.21 0.13 0.00 0.00 0.00 0.00 17.79 18.43 3mka h ALA 417 CO 0.00 0.43 0.64 0.20 0.00 0.00 0.00 179.25 180.52 3mka s GLY 418 N -3.64 2.90 0.01 0.00 0.00 -1.26 -1.90 107.32 103.42 3mka s GLY 418 Ca -0.09 1.37 0.01 0.00 0.00 0.00 0.00 44.72 46.02 3mka s GLY 418 CO 0.77 1.92 -0.05 0.50 0.00 0.00 0.00 173.10 176.24 3mka s ARG 419 N -2.75 0.38 -0.08 2.90 1.81 0.16 -4.91 118.95 116.46 3mka s ARG 419 Ca 0.68 -0.27 0.00 0.00 -1.72 0.00 0.00 55.73 54.42 3mka s ARG 419 Cb -0.41 -0.32 0.02 0.00 -0.45 0.00 0.00 34.95 33.79 3mka s ARG 419 CO 0.50 0.08 -0.06 0.42 -0.68 0.00 0.00 175.30 175.57 3mka s ILE 420 N -0.36 0.76 -0.04 1.52 1.01 -1.26 -1.34 121.20 121.49 3mka s ILE 420 Ca -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.49 3mka s ILE 420 Cb -0.03 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.65 3mka s ILE 420 CO -0.00 0.30 -0.14 -0.69 0.00 0.00 0.00 174.94 174.41 3mka s VAL 421 N 1.36 1.15 0.16 2.92 1.01 0.40 -0.59 120.40 126.80 3mka s VAL 421 Ca -0.03 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 61.48 3mka s VAL 421 Cb -0.14 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3mka s VAL 421 CO -0.03 0.34 -0.15 -0.94 0.00 0.00 0.00 175.10 174.32 3mka s SER 422 N 0.12 3.98 -0.03 3.32 1.04 -0.51 -0.33 113.70 121.29 3mka s SER 422 Ca -0.04 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 55.81 3mka s SER 422 Cb -0.10 -0.58 -0.00 0.00 0.10 0.00 0.00 66.02 65.43 3mka s SER 422 CO 0.01 0.13 -0.16 -0.36 0.98 0.00 0.00 173.24 173.85 3mka s PHE 423 N -1.50 1.56 0.60 5.02 0.08 -1.23 -0.94 117.98 121.57 3mka s PHE 423 Ca 0.22 -0.41 -0.03 0.00 0.12 0.00 0.00 56.93 56.82 3mka s PHE 423 Cb -0.09 -1.05 0.03 0.00 -0.57 0.00 0.00 43.02 41.34 3mka s PHE 423 CO 0.12 -0.13 0.87 0.16 -0.10 0.00 0.00 175.22 176.15 3mka s ASP 424 N -0.02 5.24 0.34 1.36 1.47 -0.17 -4.67 116.67 120.21 3mka s ASP 424 Ca -0.02 0.34 0.22 0.00 1.18 0.00 0.00 52.55 54.28 3mka s ASP 424 Cb -0.10 -1.21 1.21 0.00 -0.34 0.00 0.00 42.92 42.48 3mka s ASP 424 CO 0.01 -1.24 1.68 0.00 0.68 0.00 0.00 175.17 176.30 3mka h ALA 425 N -0.18 1.01 -0.48 2.11 0.00 -1.94 -1.40 119.26 118.37 3mka h ALA 425 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3mka h ALA 425 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3mka h ALA 425 CO 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3mka n ALA 426 N -1.78 2.42 -0.11 0.00 0.00 -1.26 -4.46 120.51 115.32 3mka n ALA 426 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.41 3mka n ALA 426 Cb 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 1.49 0.75 3.76 0.00 0.00 -0.53 -4.48 105.19 106.18 3mka n GLY 427 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3mka n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mka s GLY 428 N -1.72 2.36 0.15 -0.02 0.00 -1.26 -4.76 107.32 102.08 3mka s GLY 428 Ca 0.00 1.53 0.10 0.00 0.00 0.00 0.00 44.72 46.35 3mka s GLY 428 CO 0.00 2.43 -0.23 0.66 0.00 0.00 0.00 173.10 175.97 3mka s TRP 429 N -0.30 2.07 -0.03 1.90 1.48 -1.26 -1.00 118.94 121.79 3mka s TRP 429 Ca 0.60 -0.40 -0.01 0.00 -1.06 0.00 0.00 56.10 55.23 3mka s TRP 429 Cb -0.47 -1.07 0.03 0.00 -1.16 0.00 0.00 33.47 30.81 3mka s TRP 429 CO 0.51 0.36 0.06 1.21 -4.06 0.00 0.00 176.95 175.03 3mka s ASN 430 N -2.37 0.33 -0.59 -2.66 2.47 -0.12 -4.97 114.94 107.03 3mka s ASN 430 Ca 0.15 0.10 -0.26 0.00 0.42 0.00 0.00 52.86 53.27 3mka s ASN 430 Cb -0.08 -0.03 0.04 0.00 -1.45 0.00 0.00 41.25 39.72 3mka s ASN 430 CO 0.07 -0.17 1.06 -0.63 -3.72 0.00 0.00 177.10 173.71 3mka s ILE 431 N 1.41 4.20 -0.29 -5.21 1.01 -1.26 -1.43 121.20 119.62 3mka s ILE 431 Ca -0.05 0.45 -0.37 0.00 0.00 0.00 0.00 60.65 60.68 3mka s ILE 431 Cb -0.13 -4.65 -0.13 0.00 0.01 0.00 0.00 42.46 37.57 3mka s ILE 431 CO -0.04 -1.29 2.00 -0.62 0.00 0.00 0.00 174.94 175.00 3mka n GLU 432 N 7.99 1.24 0.10 2.79 -0.58 0.24 -4.89 120.64 127.52 3mka n GLU 432 Ca 0.04 0.40 0.12 0.00 -0.42 0.00 0.00 57.16 57.30 3mka n GLU 432 Cb 0.48 -2.34 0.05 0.00 -0.57 0.00 0.00 31.44 29.05 3mka n GLU 432 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3mka h GLU 433 N 10.12 0.00 -0.55 3.49 4.39 -1.93 -3.38 114.58 126.73 3mka h GLU 433 Ca -0.36 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.35 3mka h GLU 433 Cb 1.32 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 3mka h GLU 433 CO 0.99 0.00 0.36 0.93 -1.16 0.00 0.00 179.01 180.13 3mka h GLU 434 N 0.00 0.71 0.00 2.33 4.39 -2.00 -3.47 114.58 116.55 3mka h GLU 434 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3mka h GLU 434 Cb 0.93 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3mka h GLU 434 CO 0.00 0.47 0.00 0.41 -1.16 0.00 0.00 179.01 178.73 3mka n GLY 435 N -1.25 1.21 3.48 -3.84 0.00 -1.26 -5.07 105.19 98.46 3mka n GLY 435 Ca 0.03 0.00 -0.10 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 -1.86 -0.44 0.19 1.61 -0.85 -1.26 -0.92 117.35 113.81 3mka s TYR 436 Ca 0.00 0.24 -0.23 0.00 -0.52 0.00 0.00 57.07 56.56 3mka s TYR 436 Cb 0.00 0.56 0.05 0.00 0.38 0.00 0.00 41.96 42.96 3mka s TYR 436 CO 0.00 -0.78 0.72 -1.14 -1.52 0.00 0.00 175.55 172.83 3mka s GLN 437 N -3.54 1.42 0.10 -3.49 2.00 -0.39 -4.97 119.66 110.79 3mka s GLN 437 Ca 0.03 -0.67 -0.17 0.00 -2.00 0.00 0.00 55.36 52.55 3mka s GLN 437 Cb -0.01 0.56 0.03 0.00 0.80 0.00 0.00 33.01 34.39 3mka s GLN 437 CO -0.10 -0.64 0.40 0.00 -0.50 0.00 0.00 175.29 174.45 3mka s ALA 438 N -3.70 -0.94 0.05 1.58 0.00 -1.26 -1.63 121.76 115.86 3mka s ALA 438 Ca 0.06 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 3mka s ALA 438 Cb -0.03 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 3mka s ALA 438 CO -0.03 -0.58 0.12 0.14 0.00 0.00 0.00 175.76 175.40 3mka s VAL 439 N -3.40 0.14 0.00 0.00 -7.23 -0.28 -4.92 120.40 104.70 3mka s VAL 439 Ca 0.00 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 3mka s VAL 439 Cb 0.01 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.89 3mka s VAL 439 CO -0.09 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.67 3mka n GLY 440 N 0.51 1.24 0.28 2.32 0.00 -1.26 -0.80 105.19 107.48 3mka n GLY 440 Ca -0.18 -2.23 0.14 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.50 1.61 4.64 -1.75 -1.99 113.55 115.57 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 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 3mka n GLY 442 N -0.95 2.87 0.28 -0.77 0.00 -1.26 -4.68 105.19 100.68 3mka n GLY 442 Ca -0.02 -0.67 0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 3.02 0.00 -0.23 1.61 4.64 -1.58 -1.75 113.55 119.27 3mka h SER 443 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3mka h SER 443 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3mka h SER 443 CO 0.09 0.01 -0.35 -0.07 -0.87 0.00 0.00 176.83 175.64 3mka h LEU 444 N 0.00 0.70 -0.18 5.97 4.07 -1.83 -0.24 115.31 123.80 3mka h LEU 444 Ca -0.00 -0.52 -0.01 0.00 0.08 0.00 0.00 57.88 57.44 3mka h LEU 444 Cb 0.03 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 3mka h LEU 444 CO 0.00 1.08 0.09 -0.26 -1.08 0.00 0.00 178.44 178.28 3mka h PHE 445 N 0.34 0.25 -0.82 1.13 0.04 -1.80 -0.94 116.94 115.13 3mka h PHE 445 Ca 0.02 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3mka h PHE 445 Cb 0.94 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.97 3mka h PHE 445 CO 0.08 0.26 0.45 0.00 -0.60 0.00 0.00 178.31 178.50 3mka h ALA 446 N 0.97 1.06 -0.49 2.45 0.00 -1.31 -0.68 119.26 121.26 3mka h ALA 446 Ca 0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3mka h ALA 446 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3mka h ALA 446 CO -0.01 0.57 -0.12 0.87 0.00 0.00 0.00 179.25 180.56 3mka h LYS 447 N 1.15 0.92 -0.36 0.00 1.57 -0.75 -1.37 116.57 117.72 3mka h LYS 447 Ca 0.29 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3mka h LYS 447 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3mka h LYS 447 CO -0.05 0.98 -0.19 0.77 -0.57 0.00 0.00 179.45 180.39 3mka h SER 448 N 0.82 0.69 0.17 0.86 0.02 -0.66 -1.20 113.55 114.25 3mka h SER 448 Ca 0.13 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3mka h SER 448 Cb 0.65 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3mka h SER 448 CO 0.05 0.88 -0.08 -1.28 -1.14 0.00 0.00 176.83 175.26 3mka h SER 449 N 0.61 -0.20 0.10 3.07 0.87 -0.94 -2.87 113.55 114.19 3mka h SER 449 Ca 0.09 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3mka h SER 449 Cb 0.67 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 3mka h SER 449 CO 0.05 0.00 -0.06 0.24 -0.53 0.00 0.00 176.83 176.53 3mka h MET 450 N -0.39 0.00 -0.35 2.24 2.07 -1.05 -0.92 114.93 116.54 3mka h MET 450 Ca -0.02 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.59 3mka h MET 450 Cb 0.30 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.02 3mka h MET 450 CO 0.04 0.06 0.17 -0.22 1.07 0.00 0.00 176.91 178.03 3mka h LYS 451 N 0.00 0.48 0.18 1.72 3.64 -0.99 0.11 116.57 121.71 3mka h LYS 451 Ca -0.00 -0.05 -0.35 0.00 -1.27 0.00 0.00 60.65 58.98 3mka h LYS 451 Cb 0.13 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3mka h LYS 451 CO 0.01 0.38 -1.75 0.87 -2.27 0.00 0.00 179.45 176.69 3mka h LYS 452 N 0.48 0.39 0.00 1.90 1.79 -1.17 -3.37 116.57 116.59 3mka h LYS 452 Ca 0.12 -0.67 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 3mka h LYS 452 Cb 0.05 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 3mka h LYS 452 CO -0.02 1.31 -0.10 1.28 -1.08 0.00 0.00 179.45 180.84 3mka n LEU 453 N -3.58 0.73 -0.32 2.94 4.77 -0.69 -4.40 117.00 116.45 3mka n LEU 453 Ca -0.24 0.51 0.08 0.00 -0.03 0.00 0.00 56.01 56.32 3mka n LEU 453 Cb 1.08 -0.31 0.28 0.00 -2.33 0.00 0.00 43.42 42.13 3mka n LEU 453 CO 0.51 -0.14 1.23 0.22 -1.33 0.00 0.00 177.39 177.88 3mka h TYR 454 N 0.00 1.03 0.00 -1.77 3.20 -0.96 -1.89 116.97 116.59 3mka h TYR 454 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3mka h TYR 454 Cb 0.72 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.66 3mka h TYR 454 CO 0.00 0.44 0.05 0.66 -1.64 0.00 0.00 178.16 177.67 3mka h SER 455 N 0.92 0.00 0.55 -2.11 4.64 -1.85 -0.56 113.55 115.15 3mka h SER 455 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3mka h SER 455 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3mka h SER 455 CO -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.75 3mka n GLN 456 N -3.03 0.41 -2.94 4.77 6.02 -0.71 -4.79 117.38 117.11 3mka n GLN 456 Ca -0.03 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 3mka n GLN 456 Cb 0.12 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 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 -2.57 4.81 0.00 5.09 1.01 -0.22 -4.80 120.40 123.72 3mka s VAL 457 Ca 0.28 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.52 3mka s VAL 457 Cb 0.20 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.45 3mka s VAL 457 CO 0.45 -0.19 0.00 0.35 0.00 0.00 0.00 175.10 175.70 3mka n THR 458 N 5.45 0.00 -3.55 3.92 -2.24 -1.26 -4.93 114.28 111.67 3mka n THR 458 Ca 0.04 -0.12 -0.06 0.00 -2.27 0.00 0.00 64.05 61.64 3mka n THR 458 Cb 0.48 0.59 0.02 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 -0.70 -1.56 -0.32 3.42 5.68 -1.26 -4.52 116.55 117.30 3mka n ASP 459 Ca 0.00 -2.10 -0.01 0.00 -0.50 0.00 0.00 54.79 52.18 3mka n ASP 459 Cb 0.00 2.60 0.16 0.00 -1.14 0.00 0.00 41.12 42.74 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 1.36 1.28 1.50 6.12 0.00 -1.95 -0.56 103.07 110.82 3mka h GLY 460 Ca -0.23 -0.48 -0.20 0.00 0.00 0.00 0.00 47.33 46.42 3mka h GLY 460 CO 0.29 0.47 -0.78 -0.55 0.00 0.00 0.00 176.54 175.97 3mka h ASP 461 N 1.23 0.58 -0.01 0.19 3.32 -1.98 0.67 116.42 120.42 3mka h ASP 461 Ca 0.34 -0.39 -0.22 0.00 0.02 0.00 0.00 57.03 56.78 3mka h ASP 461 Cb -0.14 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.25 3mka h ASP 461 CO -0.07 1.15 -0.79 0.77 -1.72 0.00 0.00 179.24 178.58 3mka h SER 462 N 0.32 0.80 -0.58 6.45 4.64 -1.86 -1.72 113.55 121.60 3mka h SER 462 Ca -0.04 -0.53 -0.02 0.00 -0.47 0.00 0.00 61.79 60.72 3mka h SER 462 Cb 1.37 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 3mka h SER 462 CO 0.14 1.32 0.29 1.23 -0.87 0.00 0.00 176.83 178.94 3mka h GLY 463 N 0.78 0.88 2.00 -0.77 0.00 -1.05 -0.83 103.07 104.09 3mka h GLY 463 Ca -0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3mka h GLY 463 CO 0.15 0.41 -0.16 -2.00 0.00 0.00 0.00 176.54 174.94 3mka h LEU 464 N 0.78 0.00 0.01 3.11 5.85 -0.76 -1.27 115.31 123.03 3mka h LEU 464 Ca 0.20 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 3mka h LEU 464 Cb 0.10 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.13 3mka h LEU 464 CO -0.03 0.16 -0.25 -0.09 -0.34 0.00 0.00 178.44 177.89 3mka h ARG 465 N 0.00 0.15 -0.69 1.25 2.43 -0.33 -2.68 114.38 114.51 3mka h ARG 465 Ca -0.00 -0.17 0.13 0.00 -0.81 0.00 0.00 59.98 59.12 3mka h ARG 465 Cb 0.41 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.93 3mka h ARG 465 CO 0.02 0.94 0.24 0.28 -1.51 0.00 0.00 179.97 179.94 3mka h VAL 466 N -0.56 0.67 -0.40 0.20 2.07 -0.97 -0.49 116.25 116.77 3mka h VAL 466 Ca -0.03 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3mka h VAL 466 Cb 1.03 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3mka h VAL 466 CO 0.05 0.07 0.26 0.00 0.02 0.00 0.00 177.57 177.97 3mka h ALA 467 N 1.51 0.51 0.00 1.67 0.00 -1.27 0.15 119.26 121.83 3mka h ALA 467 Ca 0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 3mka h ALA 467 Cb 0.55 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3mka h ALA 467 CO -0.39 -0.05 -0.06 0.28 0.00 0.00 0.00 179.25 179.03 3mka h VAL 468 N 0.53 0.16 0.23 0.00 2.07 -0.95 -2.38 116.25 115.91 3mka h VAL 468 Ca 0.15 -0.68 -0.32 0.00 0.82 0.00 0.00 66.70 66.67 3mka h VAL 468 Cb -0.04 1.58 0.03 0.00 -1.52 0.00 0.00 31.29 31.34 3mka h VAL 468 CO -0.04 0.06 -1.42 -0.08 0.02 0.00 0.00 177.57 176.11 3mka h GLU 469 N 0.00 0.48 -0.56 1.57 4.81 0.16 -2.54 114.58 118.50 3mka h GLU 469 Ca -0.00 -0.83 0.00 0.00 -0.13 0.00 0.00 59.36 58.41 3mka h GLU 469 Cb 0.58 0.31 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 3mka h GLU 469 CO 0.01 1.40 0.36 0.00 -0.73 0.00 0.00 179.01 180.05 3mka h ALA 470 N 0.13 1.59 0.00 2.92 0.00 -0.62 0.21 119.26 123.49 3mka h ALA 470 Ca -0.25 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3mka h ALA 470 Cb 2.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 3mka h ALA 470 CO 0.24 0.38 -0.40 1.25 0.00 0.00 0.00 179.25 180.72 3mka h LEU 471 N 0.76 0.00 -0.10 0.00 5.85 -1.47 -1.49 115.31 118.86 3mka h LEU 471 Ca 0.20 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.81 3mka h LEU 471 Cb -0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3mka h LEU 471 CO -0.04 0.40 -0.36 0.22 -0.34 0.00 0.00 178.44 178.32 3mka h TYR 472 N 0.00 0.57 -0.49 1.25 3.20 -0.27 -2.32 116.97 118.91 3mka h TYR 472 Ca -0.00 -0.23 -0.04 0.00 3.14 0.00 0.00 58.73 61.59 3mka h TYR 472 Cb 0.98 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3mka h TYR 472 CO 0.00 0.97 0.12 -0.44 -1.64 0.00 0.00 178.16 177.18 3mka h ASP 473 N -0.00 0.68 -0.57 -2.11 3.32 -0.77 -2.00 116.42 114.96 3mka h ASP 473 Ca -0.02 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.82 3mka h ASP 473 Cb 0.99 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 3mka h ASP 473 CO 0.08 0.67 -0.06 0.00 -1.72 0.00 0.00 179.24 178.20 3mka h ALA 474 N 1.42 0.78 0.00 3.45 0.00 -1.21 -2.73 119.26 120.97 3mka h ALA 474 Ca 0.16 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3mka h ALA 474 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3mka h ALA 474 CO -0.00 0.67 -0.18 0.00 0.00 0.00 0.00 179.25 179.74 3mka h ALA 475 N 0.95 1.12 -0.18 0.00 0.00 -0.94 -1.49 119.26 118.72 3mka h ALA 475 Ca 0.15 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3mka h ALA 475 Cb 0.63 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3mka h ALA 475 CO 0.04 0.22 -0.42 0.22 0.00 0.00 0.00 179.25 179.31 3mka h ASP 476 N 0.00 0.45 -0.01 0.00 3.58 -1.07 -3.32 116.42 116.06 3mka h ASP 476 Ca -0.00 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.25 3mka h ASP 476 Cb 0.57 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.49 3mka h ASP 476 CO 0.02 0.82 -0.32 0.47 -2.88 0.00 0.00 179.24 177.36 3mka n ASP 477 N -4.02 1.17 -3.93 2.28 8.00 -1.10 -4.94 116.55 114.02 3mka n ASP 477 Ca -0.02 -1.09 -0.26 0.00 0.71 0.00 0.00 54.79 54.13 3mka n ASP 477 Cb 0.51 0.59 -0.17 0.00 -0.02 0.00 0.00 41.12 42.03 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 -1.68 2.08 0.10 -2.24 2.15 -0.58 -5.00 116.67 111.50 3mka s ASP 478 Ca 0.09 -0.30 0.23 0.00 0.43 0.00 0.00 52.55 53.00 3mka s ASP 478 Cb 0.10 -0.83 0.91 0.00 -0.30 0.00 0.00 42.92 42.80 3mka s ASP 478 CO 0.35 -0.09 1.71 -1.54 -0.17 0.00 0.00 175.17 175.43 3mka n SER 479 N 4.71 0.30 0.06 -0.34 3.41 -1.26 -2.81 113.62 117.69 3mka n SER 479 Ca -0.15 0.55 0.13 0.00 -0.26 0.00 0.00 58.87 59.14 3mka n SER 479 Cb 0.50 -0.62 0.32 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.61 2.73 -2.88 7.33 0.00 -1.26 -4.73 120.51 120.08 3mka n ALA 480 Ca 0.05 -0.17 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 3mka n ALA 480 Cb 0.28 -1.30 -0.11 0.00 0.00 0.00 0.00 19.45 18.32 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 4.63 0.01 0.00 2.01 -1.12 -4.43 115.64 113.65 3mka s THR 481 Ca 0.09 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 61.86 3mka s THR 481 Cb 0.15 -3.12 -0.06 0.00 0.01 0.00 0.00 72.50 69.47 3mka s THR 481 CO 0.65 0.40 0.46 -0.83 -0.69 0.00 0.00 174.62 174.61 3mka s GLY 482 N 0.91 2.53 0.16 4.40 0.00 -1.26 -4.48 107.32 109.59 3mka s GLY 482 Ca 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.63 3mka s GLY 482 CO 0.03 0.27 0.23 0.61 0.00 0.00 0.00 173.10 174.23 3mka n GLY 483 N 1.87 1.66 3.67 0.20 0.00 -1.26 -4.44 105.19 106.89 3mka n GLY 483 Ca -0.13 -2.11 -0.44 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.38 2.67 -2.94 1.61 -0.04 -1.26 -4.94 135.00 128.72 3mka n PRO 484 Ca 0.04 0.98 -0.44 0.00 -0.04 0.00 0.00 63.50 64.05 3mka n PRO 484 Cb 0.16 -2.90 -0.04 0.00 -0.04 0.00 0.00 33.50 30.68 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 4.17 6.20 0.46 3.54 -1.08 -0.57 -4.90 116.67 124.48 3mka s ASP 485 Ca 0.89 -1.19 0.27 0.00 -0.52 0.00 0.00 52.55 52.00 3mka s ASP 485 Cb -0.51 -2.38 0.80 0.00 -1.46 0.00 0.00 42.92 39.37 3mka s ASP 485 CO 0.44 -1.32 1.77 -0.07 0.52 0.00 0.00 175.17 176.52 3mka h LEU 486 N 10.85 0.00 -0.03 -1.34 4.07 -1.92 0.34 115.31 127.27 3mka h LEU 486 Ca -0.27 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.43 3mka h LEU 486 Cb 1.07 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.83 3mka h LEU 486 CO 1.15 0.00 -1.05 0.58 -1.08 0.00 0.00 178.44 178.04 3mka h VAL 487 N 0.00 1.32 0.00 1.22 2.07 -1.97 -3.30 116.25 115.60 3mka h VAL 487 Ca 0.00 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3mka h VAL 487 Cb 0.76 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 3mka h VAL 487 CO 0.00 0.72 -1.38 0.54 0.02 0.00 0.00 177.57 177.47 3mka n ARG 488 N -3.81 0.25 -2.65 1.57 1.74 -1.22 -5.00 116.66 107.55 3mka n ARG 488 Ca -0.10 -0.08 -0.07 0.00 -0.77 0.00 0.00 57.85 56.83 3mka n ARG 488 Cb 0.89 -1.51 0.03 0.00 -1.02 0.00 0.00 32.46 30.85 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 1.41 0.18 3.35 -0.13 0.00 0.11 -5.03 105.19 105.08 3mka n GLY 489 Ca 0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.14 2.97 0.29 -0.61 1.01 -0.85 -5.01 121.20 115.87 3mka s ILE 490 Ca 0.05 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3mka s ILE 490 Cb -0.02 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.14 3mka s ILE 490 CO 0.29 0.52 0.07 -0.36 0.00 0.00 0.00 174.94 175.45 3mka s PHE 491 N 0.47 1.76 0.93 3.97 0.08 -1.26 -1.51 117.98 122.42 3mka s PHE 491 Ca -0.10 -1.04 -0.10 0.00 0.12 0.00 0.00 56.93 55.81 3mka s PHE 491 Cb -0.16 -1.10 0.14 0.00 -0.57 0.00 0.00 43.02 41.33 3mka s PHE 491 CO 0.05 -0.13 1.05 -2.30 -0.10 0.00 0.00 175.22 173.78 3mka n PRO 492 N -0.58 -0.48 -4.13 0.24 -0.02 -1.26 -4.79 135.00 123.99 3mka n PRO 492 Ca -0.02 -0.08 -0.30 0.00 -2.02 0.00 0.00 63.50 61.09 3mka n PRO 492 Cb 0.66 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.76 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 -2.60 4.03 0.07 3.45 -4.23 -0.91 -4.95 115.64 110.50 3mka s THR 493 Ca 0.66 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 3mka s THR 493 Cb -0.23 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.66 3mka s THR 493 CO 0.59 0.11 0.07 0.00 -0.54 0.00 0.00 174.62 174.85 3mka s ALA 494 N -1.34 0.18 -0.01 3.99 0.00 -1.26 -1.93 121.76 121.40 3mka s ALA 494 Ca 0.26 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.28 3mka s ALA 494 Cb -0.12 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.39 3mka s ALA 494 CO 0.19 -0.44 -0.00 0.08 0.00 0.00 0.00 175.76 175.59 3mka s VAL 495 N -3.90 0.06 0.03 0.00 1.01 0.06 -1.06 120.40 116.60 3mka s VAL 495 Ca 0.06 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.13 3mka s VAL 495 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.33 3mka s VAL 495 CO -0.10 0.04 -0.23 -0.51 0.00 0.00 0.00 175.10 174.30 3mka s ILE 496 N 0.23 1.84 -0.06 2.22 2.07 -0.10 -1.30 121.20 126.10 3mka s ILE 496 Ca -0.02 -1.21 -0.01 0.00 -1.41 0.00 0.00 60.65 58.00 3mka s ILE 496 Cb -0.03 -1.58 0.03 0.00 0.13 0.00 0.00 42.46 41.01 3mka s ILE 496 CO -0.01 0.32 -0.00 -0.63 -1.91 0.00 0.00 174.94 172.72 3mka s ILE 497 N -0.74 0.35 0.00 2.00 1.01 -0.53 -0.42 121.20 122.87 3mka s ILE 497 Ca 0.09 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.85 3mka s ILE 497 Cb -0.09 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.89 3mka s ILE 497 CO 0.01 0.24 0.00 -0.90 0.00 0.00 0.00 174.94 174.29 3mka n ASP 498 N 4.94 0.80 0.24 3.58 5.68 -1.17 -1.52 116.55 129.10 3mka n ASP 498 Ca -0.11 -0.48 0.17 0.00 -0.50 0.00 0.00 54.79 53.88 3mka n ASP 498 Cb 0.50 0.00 0.87 0.00 -1.14 0.00 0.00 41.12 41.36 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 1.67 -0.29 2.12 0.00 -1.94 -0.25 119.26 121.56 3mka h ALA 499 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mka h ALA 499 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3mka h ALA 499 CO 0.00 -0.25 0.00 -0.25 0.00 0.00 0.00 179.25 178.75 3mka n ASP 500 N -3.66 1.59 0.00 0.00 8.00 -1.26 -5.04 116.55 116.19 3mka n ASP 500 Ca 0.01 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.50 3mka n ASP 500 Cb 0.29 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.95 0.52 3.75 0.44 0.00 -0.11 -5.00 105.19 105.75 3mka n GLY 501 Ca 0.10 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.37 3.40 0.00 4.61 0.00 0.22 -3.02 121.76 125.61 3mka s ALA 502 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.16 3mka s ALA 502 Cb 0.00 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 3mka s ALA 502 CO 0.00 0.07 -0.06 0.14 0.00 0.00 0.00 175.76 175.91 3mka s VAL 503 N 0.03 0.48 0.14 0.00 -7.23 0.44 -4.97 120.40 109.28 3mka s VAL 503 Ca 0.36 -0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 59.83 3mka s VAL 503 Cb -0.19 -0.43 -0.07 0.00 0.56 0.00 0.00 36.38 36.25 3mka s VAL 503 CO 0.21 0.04 1.19 -1.81 -0.31 0.00 0.00 175.10 174.41 3mka s ASP 504 N -0.40 7.10 0.23 4.85 1.01 -1.26 -0.93 116.67 127.28 3mka s ASP 504 Ca 0.00 2.14 -0.30 0.00 0.71 0.00 0.00 52.55 55.10 3mka s ASP 504 Cb -0.04 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.21 3mka s ASP 504 CO -0.00 -0.39 1.01 -0.69 0.21 0.00 0.00 175.17 175.31 3mka s VAL 505 N 0.35 3.92 0.36 -1.27 1.01 -0.23 -4.91 120.40 119.63 3mka s VAL 505 Ca 0.55 1.85 -0.26 0.00 0.00 0.00 0.00 61.98 64.12 3mka s VAL 505 Cb -0.31 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 31.80 3mka s VAL 505 CO 0.33 0.41 1.12 -2.16 0.00 0.00 0.00 175.10 174.81 3mka s PRO 506 N -1.03 4.29 0.19 2.72 0.04 -1.26 -4.70 135.00 135.26 3mka s PRO 506 Ca 0.44 1.76 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 3mka s PRO 506 Cb -0.28 -2.83 0.16 0.00 0.04 0.00 0.00 34.50 31.58 3mka s PRO 506 CO 0.35 -0.09 1.59 1.49 0.04 0.00 0.00 177.00 180.38 3mka h GLU 507 N 3.03 -0.12 -0.77 4.56 4.81 -1.95 0.06 114.58 124.20 3mka h GLU 507 Ca -0.48 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 58.85 3mka h GLU 507 Cb 1.22 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.58 3mka h GLU 507 CO 0.64 -0.08 0.51 0.66 -0.73 0.00 0.00 179.01 180.00 3mka h SER 508 N -0.13 0.65 0.09 1.04 4.64 -1.99 0.16 113.55 118.01 3mka h SER 508 Ca 0.25 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.51 3mka h SER 508 Cb 0.54 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3mka h SER 508 CO -0.69 0.40 -0.24 -0.09 -0.87 0.00 0.00 176.83 175.34 3mka h ARG 509 N 0.73 0.27 0.05 4.77 2.43 -1.37 -0.74 114.38 120.52 3mka h ARG 509 Ca 0.35 -0.09 -0.21 0.00 -0.81 0.00 0.00 59.98 59.22 3mka h ARG 509 Cb 0.41 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.96 3mka h ARG 509 CO -0.13 0.51 -0.86 0.82 -1.51 0.00 0.00 179.97 178.80 3mka h ILE 510 N 0.25 1.38 -0.39 1.20 2.04 -0.56 -2.12 117.51 119.31 3mka h ILE 510 Ca 0.04 -2.26 0.04 0.00 1.00 0.00 0.00 64.86 63.68 3mka h ILE 510 Cb 0.57 2.67 -0.04 0.00 -0.74 0.00 0.00 36.82 39.28 3mka h ILE 510 CO 0.04 0.67 0.14 0.00 0.00 0.00 0.00 178.15 179.00 3mka h ALA 511 N 0.29 0.46 0.24 1.87 0.00 -0.66 0.34 119.26 121.80 3mka h ALA 511 Ca -0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3mka h ALA 511 Cb 1.57 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 3mka h ALA 511 CO 0.17 -0.24 -0.37 1.49 0.00 0.00 0.00 179.25 180.29 3mka h GLU 512 N 0.31 -0.62 -1.02 0.00 4.81 -1.17 -0.54 114.58 116.35 3mka h GLU 512 Ca 0.18 0.04 0.24 0.00 -0.13 0.00 0.00 59.36 59.70 3mka h GLU 512 Cb 0.15 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 29.57 3mka h GLU 512 CO -0.18 -0.41 0.63 1.25 -0.73 0.00 0.00 179.01 179.57 3mka h LEU 513 N -0.64 0.58 0.74 1.64 5.85 -0.79 -1.45 115.31 121.23 3mka h LEU 513 Ca -0.03 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3mka h LEU 513 Cb 0.59 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.64 3mka h LEU 513 CO -0.12 0.13 -0.36 0.00 -0.34 0.00 0.00 178.44 177.75 3mka h ALA 514 N 1.66 -1.19 -1.01 1.25 0.00 0.41 -2.49 119.26 117.90 3mka h ALA 514 Ca 0.61 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 55.53 3mka h ALA 514 Cb 1.30 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 19.36 3mka h ALA 514 CO -0.37 -1.12 0.60 0.00 0.00 0.00 0.00 179.25 178.37 3mka h ARG 515 N -1.06 0.60 -0.03 0.00 3.08 -0.64 0.78 114.38 117.11 3mka h ARG 515 Ca -0.10 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.93 3mka h ARG 515 Cb 0.76 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3mka h ARG 515 CO 0.17 0.40 -0.09 0.00 -1.07 0.00 0.00 179.97 179.37 3mka h ALA 516 N 1.70 -0.08 0.13 0.04 0.00 -1.06 0.09 119.26 120.08 3mka h ALA 516 Ca 0.63 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 3mka h ALA 516 Cb 1.16 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3mka h ALA 516 CO -0.44 -0.58 -0.06 0.82 0.00 0.00 0.00 179.25 178.99 3mka h ILE 517 N -0.15 0.87 0.15 0.00 2.04 -0.60 -0.07 117.51 119.76 3mka h ILE 517 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3mka h ILE 517 Cb 0.21 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3mka h ILE 517 CO -0.12 0.00 -0.39 0.40 0.00 0.00 0.00 178.15 178.05 3mka h ILE 518 N -0.17 0.21 -0.20 -0.67 2.04 -0.74 0.55 117.51 118.54 3mka h ILE 518 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3mka h ILE 518 Cb 0.13 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3mka h ILE 518 CO 0.03 0.00 0.05 -0.08 0.00 0.00 0.00 178.15 178.15 3mka h GLU 519 N -0.64 0.28 0.00 2.37 4.81 -0.94 -0.53 114.58 119.94 3mka h GLU 519 Ca 0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3mka h GLU 519 Cb 0.65 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 3mka h GLU 519 CO -0.21 0.26 -0.03 1.03 -0.73 0.00 0.00 179.01 179.33 3mka h SER 520 N 0.28 0.00 1.27 1.04 0.87 -0.38 -2.70 113.55 113.93 3mka h SER 520 Ca 0.07 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 3mka h SER 520 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3mka h SER 520 CO -0.00 0.03 -0.75 0.03 -0.53 0.00 0.00 176.83 175.60 3mka h ARG 521 N 0.00 0.00 -0.02 2.24 2.47 0.72 -3.50 114.38 116.29 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 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 3mka h ARG 521 CO 0.00 0.10 0.00 0.43 0.56 0.00 0.00 179.97 181.06