#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 -0.43 -0.10 0.00 0.11 -1.26 -5.14 120.40 113.58 3mka s VAL -38 Ca 0.00 -0.50 -0.34 0.00 -2.93 0.00 0.00 61.98 58.21 3mka s VAL -38 Cb 0.00 -0.97 -0.12 0.00 -1.53 0.00 0.00 36.38 33.77 3mka s VAL -38 CO 0.00 -0.45 1.90 -0.67 -3.33 0.00 0.00 175.10 172.54 3mka n ASP -37 N 5.24 3.41 -0.37 3.54 -0.08 -1.26 -4.90 116.55 122.13 3mka n ASP -37 Ca -0.01 0.95 0.11 0.00 -1.51 0.00 0.00 54.79 54.33 3mka n ASP -37 Cb 0.47 -1.37 -0.00 0.00 2.34 0.00 0.00 41.12 42.55 3mka n ASP -37 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3mka n LEU -36 N 6.83 1.75 -1.35 -2.67 4.77 -1.26 -4.97 117.00 120.09 3mka n LEU -36 Ca 0.23 -0.67 -0.12 0.00 -0.03 0.00 0.00 56.01 55.42 3mka n LEU -36 Cb 0.29 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 3mka n LEU -36 CO 0.73 0.34 -0.15 -1.20 -1.33 0.00 0.00 177.39 175.78 3mka n SER -35 N -0.38 -3.91 -4.43 -1.43 7.64 -1.26 -5.00 113.62 104.85 3mka n SER -35 Ca 0.08 0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.61 3mka n SER -35 Cb 0.43 -3.08 -0.13 0.00 -1.01 0.00 0.00 64.21 60.43 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 -2.48 5.07 0.56 6.43 0.15 -1.26 -4.20 113.70 117.96 3mka s SER -34 Ca 0.00 -0.26 0.27 0.00 0.70 0.00 0.00 55.95 56.66 3mka s SER -34 Cb 0.00 -1.91 1.47 0.00 -1.71 0.00 0.00 66.02 63.87 3mka s SER -34 CO 0.00 -0.05 1.99 0.15 1.20 0.00 0.00 173.24 176.53 3mka h PHE -33 N 8.23 0.00 0.04 3.44 3.57 -1.92 -0.83 116.94 129.47 3mka h PHE -33 Ca -0.38 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 60.99 3mka h PHE -33 Cb 1.17 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.92 3mka h PHE -33 CO 0.66 0.00 -0.52 1.15 -2.23 0.00 0.00 178.31 177.37 3mka h THR -32 N 0.00 1.51 -0.89 4.41 2.02 -1.95 -1.66 112.91 116.36 3mka h THR -32 Ca 0.22 -2.18 0.02 0.00 0.77 0.00 0.00 66.41 65.24 3mka h THR -32 Cb 0.99 2.86 -0.05 0.00 -1.74 0.00 0.00 68.15 70.21 3mka h THR -32 CO -0.00 0.62 0.58 -0.78 0.37 0.00 0.00 175.52 176.30 3mka h ASP -31 N -0.35 0.99 -0.41 4.18 1.82 -1.80 -0.06 116.42 120.79 3mka h ASP -31 Ca -0.08 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.53 3mka h ASP -31 Cb 1.29 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 41.05 3mka h ASP -31 CO 0.10 0.70 0.18 0.15 -1.61 0.00 0.00 179.24 178.76 3mka h PHE -30 N 1.16 0.60 -0.76 0.28 3.57 -1.10 -2.21 116.94 118.48 3mka h PHE -30 Ca 0.34 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 3mka h PHE -30 Cb -0.06 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3mka h PHE -30 CO -0.01 0.51 0.27 -0.07 -2.23 0.00 0.00 178.31 176.77 3mka h LEU -29 N 0.51 1.07 -0.27 0.59 4.07 -0.50 -0.14 115.31 120.64 3mka h LEU -29 Ca 0.14 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 3mka h LEU -29 Cb 0.15 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 3mka h LEU -29 CO -0.02 0.97 0.17 0.03 -1.08 0.00 0.00 178.44 178.51 3mka h ARG -28 N 1.11 0.37 0.01 1.13 3.08 -0.75 0.57 114.38 119.90 3mka h ARG -28 Ca 0.25 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3mka h ARG -28 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3mka h ARG -28 CO -0.01 0.28 -0.00 0.00 -1.07 0.00 0.00 179.97 179.16 3mka h ARG -27 N 0.35 -0.01 0.00 0.04 2.47 -0.94 -3.34 114.38 112.95 3mka h ARG -27 Ca 0.10 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.53 3mka h ARG -27 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 3mka h ARG -27 CO -0.02 0.40 -2.17 1.04 0.56 0.00 0.00 179.97 179.77 3mka n GLN -26 N -4.90 0.67 -3.33 0.04 6.02 -0.11 -4.77 117.38 111.00 3mka n GLN -26 Ca -0.08 0.02 -0.26 0.00 -0.01 0.00 0.00 57.00 56.67 3mka n GLN -26 Cb 0.22 -1.58 -0.08 0.00 1.02 0.00 0.00 30.24 29.82 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 -2.63 2.99 -0.06 -1.58 0.00 0.19 -4.94 120.51 114.49 3mka n ALA -25 Ca -0.25 -3.79 0.00 0.00 0.00 0.00 0.00 53.44 49.40 3mka n ALA -25 Cb 1.04 -0.84 0.29 0.00 0.00 0.00 0.00 19.45 19.94 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 4.40 0.65 -0.93 0.00 0.11 -1.44 -3.11 132.00 131.68 3mka h PRO -24 Ca 0.14 -0.10 0.03 0.00 0.11 0.00 0.00 66.00 66.18 3mka h PRO -24 Cb 0.82 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.76 3mka h PRO -24 CO 0.56 0.57 0.61 0.93 -0.21 0.00 0.00 178.00 180.47 3mka h GLU -23 N 0.64 1.14 -0.45 1.05 4.39 -1.92 -2.78 114.58 116.65 3mka h GLU -23 Ca 0.15 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 3mka h GLU -23 Cb 0.19 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3mka h GLU -23 CO -0.01 0.76 0.17 -0.07 -1.16 0.00 0.00 179.01 178.70 3mka h LEU -22 N 1.18 0.59 -9.55 1.33 4.07 -1.90 -3.44 115.31 107.58 3mka h LEU -22 Ca 0.37 -0.07 -0.52 0.00 0.08 0.00 0.00 57.88 57.74 3mka h LEU -22 Cb -0.00 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 3mka h LEU -22 CO -0.11 0.54 0.38 -0.22 -1.08 0.00 0.00 178.44 177.96 3mka s LEU -21 N -9.35 4.48 0.50 1.67 2.96 -1.05 -5.06 118.68 112.83 3mka s LEU -21 Ca -0.09 1.82 -0.22 0.00 -0.22 0.00 0.00 54.13 55.42 3mka s LEU -21 Cb 0.16 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.20 3mka s LEU -21 CO 0.76 -0.12 1.25 -2.16 -1.32 0.00 0.00 176.35 174.76 3mka s PRO -20 N 0.13 3.49 0.00 0.98 0.04 -1.26 -5.02 135.00 133.36 3mka s PRO -20 Ca 0.48 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.50 3mka s PRO -20 Cb -0.24 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.96 3mka s PRO -20 CO 0.30 -0.83 0.32 0.00 0.04 0.00 0.00 177.00 176.82 3mka n ALA -19 N -0.72 0.88 -2.13 8.56 0.00 -1.26 -5.05 120.51 120.78 3mka n ALA -19 Ca 0.09 -0.32 -0.38 0.00 0.00 0.00 0.00 53.44 52.83 3mka n ALA -19 Cb 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 3mka n ALA -19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3mka s GLN -5 N 0.00 4.31 0.51 0.00 0.74 -1.26 -4.93 119.66 119.03 3mka s GLN -5 Ca 0.00 0.89 -0.08 0.00 0.05 0.00 0.00 55.36 56.22 3mka s GLN -5 Cb 0.00 -3.10 -0.04 0.00 1.10 0.00 0.00 33.01 30.97 3mka s GLN -5 CO 0.00 0.52 0.86 -0.51 -0.55 0.00 0.00 175.29 175.62 3mka s LEU -4 N -1.49 3.55 0.15 3.68 2.01 -1.26 -4.90 118.68 120.42 3mka s LEU -4 Ca 0.36 1.13 -0.33 0.00 0.01 0.00 0.00 54.13 55.30 3mka s LEU -4 Cb -0.19 -4.10 -0.13 0.00 0.01 0.00 0.00 46.19 41.77 3mka s LEU -4 CO 0.22 -0.63 1.64 -2.65 1.01 0.00 0.00 176.35 175.94 3mka n PRO -3 N -2.21 2.31 -3.91 1.29 -0.02 -1.26 -4.78 135.00 126.42 3mka n PRO -3 Ca 0.03 0.83 -0.08 0.00 -2.02 0.00 0.00 63.50 62.26 3mka n PRO -3 Cb 0.55 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 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 1.29 0.01 0.00 6.00 -3.43 -0.89 -0.78 115.29 117.48 3mka s HIS -2 Ca 0.79 -0.43 0.00 0.00 -0.80 0.00 0.00 55.06 54.62 3mka s HIS -2 Cb -0.64 0.53 0.00 0.00 -1.43 0.00 0.00 32.58 31.04 3mka s HIS -2 CO 0.38 -1.15 0.00 0.41 -2.00 0.00 0.00 174.74 172.37 3mka n GLY -1 N -0.43 1.38 3.52 -1.38 0.00 -1.15 -2.10 105.19 105.01 3mka n GLY -1 Ca -0.03 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.76 -0.09 4.61 0.00 -1.26 -4.43 121.76 118.82 3mka s ALA 301 Ca 0.00 0.82 0.02 0.00 0.00 0.00 0.00 51.96 52.80 3mka s ALA 301 Cb 0.00 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.66 3mka s ALA 301 CO 0.00 -0.74 -0.14 0.99 0.00 0.00 0.00 175.76 175.87 3mka s THR 302 N -3.26 1.37 -0.06 0.00 2.01 -1.26 -2.26 115.64 112.19 3mka s THR 302 Ca 0.05 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.49 3mka s THR 302 Cb -0.01 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.26 3mka s THR 302 CO -0.09 0.41 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.49 3mka s ILE 303 N 0.85 1.24 0.27 1.82 1.01 -0.15 -2.39 121.20 123.85 3mka s ILE 303 Ca -0.10 -0.57 0.12 0.00 0.00 0.00 0.00 60.65 60.10 3mka s ILE 303 Cb -0.15 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 3mka s ILE 303 CO 0.01 0.37 -0.19 0.68 0.00 0.00 0.00 174.94 175.81 3mka s VAL 304 N 0.41 2.54 -0.18 2.92 -7.23 0.29 -1.19 120.40 117.95 3mka s VAL 304 Ca -0.10 -2.34 -0.16 0.00 -1.81 0.00 0.00 61.98 57.56 3mka s VAL 304 Cb -0.14 -2.33 0.05 0.00 0.56 0.00 0.00 36.38 34.52 3mka s VAL 304 CO 0.03 -0.37 0.48 0.00 -0.31 0.00 0.00 175.10 174.93 3mka s ALA 305 N -2.43 -1.19 0.05 1.32 0.00 0.00 -1.00 121.76 118.52 3mka s ALA 305 Ca 0.29 1.38 -0.08 0.00 0.00 0.00 0.00 51.96 53.56 3mka s ALA 305 Cb -0.05 -0.81 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 3mka s ALA 305 CO 0.15 -0.23 0.17 -0.48 0.00 0.00 0.00 175.76 175.36 3mka s LEU 306 N 0.34 1.51 -0.17 0.00 0.05 -0.29 -0.75 118.68 119.37 3mka s LEU 306 Ca -0.01 -0.49 -0.10 0.00 0.05 0.00 0.00 54.13 53.59 3mka s LEU 306 Cb -0.04 0.87 -0.05 0.00 -2.05 0.00 0.00 46.19 44.93 3mka s LEU 306 CO -0.00 -0.59 0.15 -0.54 -0.55 0.00 0.00 176.35 174.82 3mka s LYS 307 N -2.91 3.97 0.17 1.48 1.02 0.37 -0.75 119.74 123.09 3mka s LYS 307 Ca -0.02 -0.16 0.07 0.00 0.02 0.00 0.00 55.97 55.88 3mka s LYS 307 Cb 0.01 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 3mka s LYS 307 CO -0.06 0.44 -0.14 1.52 -0.92 0.00 0.00 175.35 176.19 3mka s TYR 308 N -0.07 1.58 0.12 3.18 -0.85 0.13 -4.95 117.35 116.50 3mka s TYR 308 Ca 0.11 -0.59 -0.32 0.00 -0.52 0.00 0.00 57.07 55.75 3mka s TYR 308 Cb -0.12 -0.77 -0.12 0.00 0.38 0.00 0.00 41.96 41.34 3mka s TYR 308 CO 0.01 0.26 1.76 -2.30 -1.52 0.00 0.00 175.55 173.76 3mka n PRO 309 N -0.06 2.58 -0.98 -3.49 -0.02 -1.26 -0.43 135.00 131.35 3mka n PRO 309 Ca -0.11 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3mka n PRO 309 Cb 0.59 -2.79 0.00 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 4.02 0.41 3.84 -1.23 0.00 -1.04 -4.81 105.19 106.38 3mka n GLY 310 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.00 -0.11 0.00 -0.02 0.00 0.43 -3.93 107.32 101.70 3mka s GLY 311 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.48 3mka s GLY 311 CO 0.00 -0.06 0.02 0.54 0.00 0.00 0.00 173.10 173.59 3mka s VAL 312 N -3.74 0.06 0.05 1.40 0.11 -0.36 -0.70 120.40 117.22 3mka s VAL 312 Ca 0.11 -0.51 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 3mka s VAL 312 Cb -0.05 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 3mka s VAL 312 CO 0.06 -0.28 -0.14 0.54 -3.33 0.00 0.00 175.10 171.95 3mka s VAL 313 N -0.84 1.11 -0.02 2.04 0.11 0.08 -1.15 120.40 121.72 3mka s VAL 313 Ca -0.09 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 57.89 3mka s VAL 313 Cb -0.06 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.79 3mka s VAL 313 CO -0.00 -0.05 0.02 -0.32 -3.33 0.00 0.00 175.10 171.42 3mka s MET 314 N -1.27 0.03 0.04 1.54 1.75 -0.17 -1.14 119.30 120.08 3mka s MET 314 Ca 0.01 0.12 -0.01 0.00 -1.25 0.00 0.00 55.69 54.56 3mka s MET 314 Cb -0.08 -0.22 -0.03 0.00 2.84 0.00 0.00 34.83 37.33 3mka s MET 314 CO 0.01 -0.12 -0.02 0.00 -0.65 0.00 0.00 175.02 174.24 3mka s ALA 315 N 0.77 0.32 0.05 4.11 0.00 -0.17 -0.96 121.76 125.89 3mka s ALA 315 Ca -0.07 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 3mka s ALA 315 Cb -0.10 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.25 3mka s ALA 315 CO -0.02 -0.28 0.21 0.20 0.00 0.00 0.00 175.76 175.87 3mka s GLY 316 N -2.28 0.03 0.91 0.00 0.00 -0.63 -0.55 107.32 104.79 3mka s GLY 316 Ca -0.03 -0.34 -0.14 0.00 0.00 0.00 0.00 44.72 44.21 3mka s GLY 316 CO -0.06 -0.52 1.26 0.51 0.00 0.00 0.00 173.10 174.29 3mka s ASP 317 N -2.29 3.54 0.00 1.64 1.47 -1.01 -1.91 116.67 118.11 3mka s ASP 317 Ca -0.02 0.35 0.09 0.00 1.18 0.00 0.00 52.55 54.15 3mka s ASP 317 Cb 0.01 -0.53 0.06 0.00 -0.34 0.00 0.00 42.92 42.12 3mka s ASP 317 CO -0.06 -2.47 0.77 0.54 0.68 0.00 0.00 175.17 174.63 3mka n ARG 318 N -3.59 0.59 -2.90 2.11 5.12 -1.26 -4.56 116.66 112.17 3mka n ARG 318 Ca 0.13 -0.99 -0.33 0.00 -1.93 0.00 0.00 57.85 54.72 3mka n ARG 318 Cb 0.60 -1.16 -0.07 0.00 -1.16 0.00 0.00 32.46 30.67 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 -0.86 4.22 -0.03 5.56 3.52 -1.26 -1.74 118.95 128.36 3mka s ARG 319 Ca 0.11 1.04 0.01 0.00 -0.13 0.00 0.00 55.73 56.75 3mka s ARG 319 Cb 0.08 -2.34 0.02 0.00 -1.56 0.00 0.00 34.95 31.15 3mka s ARG 319 CO 0.13 0.07 -0.01 0.45 -0.81 0.00 0.00 175.30 175.13 3mka s SER 320 N -2.11 0.55 0.13 -2.12 0.15 -0.23 -4.60 113.70 105.47 3mka s SER 320 Ca 0.58 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 57.24 3mka s SER 320 Cb -0.11 -0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 3mka s SER 320 CO 0.16 -0.08 -0.15 0.42 1.20 0.00 0.00 173.24 174.79 3mka s THR 321 N 0.91 1.47 -0.36 6.45 -4.23 -0.89 0.33 115.64 119.32 3mka s THR 321 Ca -0.10 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 3mka s THR 321 Cb -0.13 -1.61 0.11 0.00 1.34 0.00 0.00 72.50 72.21 3mka s THR 321 CO -0.01 -0.38 0.14 -1.10 -0.54 0.00 0.00 174.62 172.73 3mka s GLN 322 N -2.68 1.08 7.37 3.99 -0.21 -0.08 -2.08 119.66 127.04 3mka s GLN 322 Ca 0.11 -1.57 0.00 0.00 0.02 0.00 0.00 55.36 53.92 3mka s GLN 322 Cb -0.05 -2.37 0.00 0.00 1.00 0.00 0.00 33.01 31.59 3mka s GLN 322 CO 0.04 -1.04 0.00 0.41 -2.12 0.00 0.00 175.29 172.58 3mka n GLY 323 N 4.27 2.18 0.01 3.09 0.00 -1.26 -2.21 105.19 111.27 3mka n GLY 323 Ca 0.03 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 7.79 0.70 -4.75 1.61 3.02 -1.26 -4.93 115.26 117.44 3mka n ASN 324 Ca 0.00 -0.50 -0.40 0.00 -0.03 0.00 0.00 54.58 53.65 3mka n ASN 324 Cb 0.00 0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 39.93 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 -3.10 4.80 -0.35 3.52 -1.94 -0.94 -5.00 119.30 116.29 3mka s MET 325 Ca 0.06 1.55 -0.27 0.00 -1.71 0.00 0.00 55.69 55.32 3mka s MET 325 Cb 0.16 -3.27 0.02 0.00 2.01 0.00 0.00 34.83 33.74 3mka s MET 325 CO 0.81 0.42 0.98 0.42 -0.01 0.00 0.00 175.02 177.64 3mka s ILE 326 N -1.02 4.55 -0.12 2.53 1.01 -1.26 -0.90 121.20 125.99 3mka s ILE 326 Ca 0.43 1.42 0.20 0.00 0.00 0.00 0.00 60.65 62.70 3mka s ILE 326 Cb -0.27 -4.36 -0.20 0.00 0.01 0.00 0.00 42.46 37.63 3mka s ILE 326 CO 0.33 -0.51 0.62 -1.54 0.00 0.00 0.00 174.94 173.84 3mka n SER 327 N 6.81 0.38 -3.80 3.58 3.41 0.15 -4.92 113.62 119.24 3mka n SER 327 Ca 0.09 0.16 -0.13 0.00 -0.26 0.00 0.00 58.87 58.73 3mka n SER 327 Cb 0.48 1.09 -0.10 0.00 -0.26 0.00 0.00 64.21 65.42 3mka n SER 327 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3mka s GLY 328 N -4.70 -0.10 0.00 5.00 0.00 -0.65 -4.93 107.32 101.94 3mka s GLY 328 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.95 3mka s GLY 328 CO 0.85 0.13 0.54 -0.96 0.00 0.00 0.00 173.10 173.66 3mka n ARG 329 N 1.72 0.61 0.00 2.90 1.85 -1.26 -1.07 116.66 121.41 3mka n ARG 329 Ca -0.20 -0.69 0.00 0.00 -1.00 0.00 0.00 57.85 55.96 3mka n ARG 329 Cb 0.56 -0.78 0.00 0.00 -1.05 0.00 0.00 32.46 31.19 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 -0.15 0.72 -4.60 2.89 5.75 -1.15 -4.64 116.55 115.37 3mka n ASP 330 Ca 0.00 -0.97 -0.54 0.00 -0.01 0.00 0.00 54.79 53.27 3mka n ASP 330 Cb 0.24 0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 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 -0.03 0.04 -3.80 2.12 0.31 -0.71 -4.97 118.33 111.29 3mka n VAL 331 Ca 0.00 -0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 3mka n VAL 331 Cb 0.06 -0.78 -0.07 0.00 -0.91 0.00 0.00 33.84 32.13 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 0.85 3.94 0.00 5.55 3.52 -1.26 -4.19 118.95 127.36 3mka s ARG 332 Ca 0.87 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 56.27 3mka s ARG 332 Cb -1.01 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.05 3mka s ARG 332 CO 0.51 0.45 0.39 1.63 -0.81 0.00 0.00 175.30 177.46 3mka n LYS 333 N 3.03 -0.33 -4.51 5.12 5.02 -1.26 -4.99 118.16 120.24 3mka n LYS 333 Ca -0.17 -0.43 -0.33 0.00 -2.02 0.00 0.00 58.31 55.36 3mka n LYS 333 Cb 0.53 -0.82 -0.16 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.08 2.29 -0.01 -0.18 1.01 -1.26 -2.10 120.40 120.07 3mka s VAL 334 Ca 0.00 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3mka s VAL 334 Cb 0.00 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.43 3mka s VAL 334 CO 0.00 0.53 -0.09 -0.31 0.00 0.00 0.00 175.10 175.23 3mka s TYR 335 N 0.91 0.86 -0.08 5.22 2.02 -0.56 -4.99 117.35 120.73 3mka s TYR 335 Ca -0.04 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 3mka s TYR 335 Cb -0.15 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.79 3mka s TYR 335 CO -0.03 -0.05 1.29 0.42 -1.57 0.00 0.00 175.55 175.61 3mka s ILE 336 N -0.04 4.11 -0.68 2.71 1.01 -1.26 -0.81 121.20 126.24 3mka s ILE 336 Ca 0.01 1.41 0.20 0.00 0.00 0.00 0.00 60.65 62.27 3mka s ILE 336 Cb -0.06 -3.91 -0.24 0.00 0.01 0.00 0.00 42.46 38.26 3mka s ILE 336 CO -0.00 -0.05 0.73 0.35 0.00 0.00 0.00 174.94 175.96 3mka n THR 337 N 4.96 0.00 -3.84 2.92 -2.24 0.46 -4.93 114.28 111.61 3mka n THR 337 Ca 0.13 -0.15 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 3mka n THR 337 Cb 0.45 0.73 0.01 0.00 -2.10 0.00 0.00 70.33 69.42 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 -3.27 -0.04 0.63 3.42 1.47 -1.20 -4.57 116.67 113.12 3mka s ASP 338 Ca 0.03 -0.50 0.39 0.00 1.18 0.00 0.00 52.55 53.65 3mka s ASP 338 Cb 0.14 0.42 2.11 0.00 -0.34 0.00 0.00 42.92 45.25 3mka s ASP 338 CO 0.82 -0.81 2.19 0.44 0.68 0.00 0.00 175.17 178.48 3mka h ASP 339 N 2.00 0.00 0.00 2.11 3.32 -1.95 -2.96 116.42 118.94 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 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3mka h ASP 339 CO 0.32 0.00 -0.17 -1.22 -1.72 0.00 0.00 179.24 176.45 3mka n TYR 340 N -2.94 0.00 -3.80 4.55 4.01 -1.26 -0.78 117.16 116.93 3mka n TYR 340 Ca -0.03 -0.55 -0.11 0.00 -0.16 0.00 0.00 57.90 57.05 3mka n TYR 340 Cb 0.15 -0.10 -0.08 0.00 -0.31 0.00 0.00 39.34 39.00 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 -1.55 0.10 0.01 -0.72 -4.23 -1.12 -1.23 115.64 106.90 3mka s THR 341 Ca 0.16 -0.81 -0.05 0.00 -1.18 0.00 0.00 61.69 59.81 3mka s THR 341 Cb 0.14 -0.94 -0.00 0.00 1.34 0.00 0.00 72.50 73.04 3mka s THR 341 CO 0.02 -0.44 0.09 0.00 -0.54 0.00 0.00 174.62 173.74 3mka s ALA 342 N -2.60 -0.20 0.06 3.99 0.00 0.26 -0.40 121.76 122.87 3mka s ALA 342 Ca -0.05 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 51.70 3mka s ALA 342 Cb -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3mka s ALA 342 CO -0.04 -0.20 -0.18 0.95 0.00 0.00 0.00 175.76 176.29 3mka s THR 343 N -1.48 1.47 -0.09 0.00 -4.23 0.01 -1.19 115.64 110.14 3mka s THR 343 Ca -0.15 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 3mka s THR 343 Cb -0.08 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.45 3mka s THR 343 CO 0.01 0.01 -0.11 -0.83 -0.54 0.00 0.00 174.62 173.16 3mka s GLY 344 N -1.48 0.84 -0.10 3.99 0.00 -0.66 -1.49 107.32 108.43 3mka s GLY 344 Ca 0.04 -0.51 0.04 0.00 0.00 0.00 0.00 44.72 44.29 3mka s GLY 344 CO 0.02 0.34 -0.22 -0.42 0.00 0.00 0.00 173.10 172.83 3mka s ILE 345 N 1.03 2.21 -0.11 0.90 1.01 -0.89 -0.37 121.20 124.97 3mka s ILE 345 Ca -0.07 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.60 3mka s ILE 345 Cb -0.15 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 3mka s ILE 345 CO -0.01 0.56 -0.11 0.00 0.00 0.00 0.00 174.94 175.38 3mka s ALA 346 N 0.28 2.75 0.00 9.38 0.00 -1.00 -4.93 121.76 128.25 3mka s ALA 346 Ca -0.16 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3mka s ALA 346 Cb -0.17 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.70 3mka s ALA 346 CO 0.08 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.58 3mka n GLY 347 N 3.18 0.46 3.76 0.00 0.00 -1.26 -0.44 105.19 110.89 3mka n GLY 347 Ca -0.18 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.84 2.15 0.20 2.61 2.01 0.56 -2.95 115.64 116.38 3mka s THR 348 Ca 0.00 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 62.04 3mka s THR 348 Cb 0.00 -3.08 0.14 0.00 0.01 0.00 0.00 72.50 69.56 3mka s THR 348 CO 0.00 0.02 1.79 0.00 -0.69 0.00 0.00 174.62 175.74 3mka h ALA 349 N 4.22 0.95 -0.20 7.40 0.00 -1.30 -1.49 119.26 128.83 3mka h ALA 349 Ca -0.48 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 3mka h ALA 349 Cb 1.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3mka h ALA 349 CO 0.74 0.51 -0.10 0.00 0.00 0.00 0.00 179.25 180.41 3mka h ALA 350 N 1.17 0.29 -0.57 0.00 0.00 -1.91 -2.00 119.26 116.24 3mka h ALA 350 Ca 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3mka h ALA 350 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3mka h ALA 350 CO -0.03 0.12 0.28 0.28 0.00 0.00 0.00 179.25 179.90 3mka h VAL 351 N 0.13 1.20 -0.49 0.00 2.07 -1.90 -0.71 116.25 116.55 3mka h VAL 351 Ca 0.05 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 3mka h VAL 351 Cb 0.59 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3mka h VAL 351 CO 0.03 0.23 0.25 0.00 0.02 0.00 0.00 177.57 178.10 3mka h ALA 352 N 1.11 0.63 -0.61 1.67 0.00 -1.19 -0.30 119.26 120.58 3mka h ALA 352 Ca 0.20 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3mka h ALA 352 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3mka h ALA 352 CO -0.03 0.18 0.20 -0.24 0.00 0.00 0.00 179.25 179.36 3mka h VAL 353 N 0.65 1.24 -0.49 0.00 3.04 -0.97 -1.53 116.25 118.18 3mka h VAL 353 Ca 0.17 -0.81 -0.01 0.00 -1.01 0.00 0.00 66.70 65.04 3mka h VAL 353 Cb 0.10 0.62 -0.02 0.00 -2.01 0.00 0.00 31.29 29.97 3mka h VAL 353 CO -0.02 0.31 0.27 -0.33 -1.01 0.00 0.00 177.57 176.79 3mka h GLU 354 N 0.86 0.68 -0.74 4.17 5.08 -0.75 -2.58 114.58 121.31 3mka h GLU 354 Ca 0.20 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3mka h GLU 354 Cb 0.27 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3mka h GLU 354 CO -0.01 0.53 0.48 0.74 -1.00 0.00 0.00 179.01 179.75 3mka h PHE 355 N 0.65 0.94 -0.62 4.33 -1.00 -0.64 -2.08 116.94 118.52 3mka h PHE 355 Ca 0.17 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.95 3mka h PHE 355 Cb 0.04 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.26 3mka h PHE 355 CO -0.02 0.61 0.33 0.00 -1.61 0.00 0.00 178.31 177.62 3mka h ALA 356 N 1.26 0.79 -0.16 2.45 0.00 -0.89 -1.43 119.26 121.28 3mka h ALA 356 Ca 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3mka h ALA 356 Cb -0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3mka h ALA 356 CO -0.06 0.32 -0.05 -0.09 0.00 0.00 0.00 179.25 179.37 3mka h ARG 357 N 0.84 0.32 -0.44 0.00 2.43 -1.46 -2.75 114.38 113.32 3mka h ARG 357 Ca 0.22 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3mka h ARG 357 Cb 0.05 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3mka h ARG 357 CO -0.03 0.61 0.22 1.25 -1.51 0.00 0.00 179.97 180.51 3mka h LEU 358 N 0.01 0.57 -1.12 3.80 5.85 -1.33 -2.39 115.31 120.70 3mka h LEU 358 Ca 0.04 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 3mka h LEU 358 Cb 0.50 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3mka h LEU 358 CO 0.02 0.52 0.02 0.22 -0.34 0.00 0.00 178.44 178.88 3mka h TYR 359 N 0.57 0.67 -0.12 1.25 3.20 -1.28 -0.11 116.97 121.16 3mka h TYR 359 Ca 0.15 -0.07 -0.15 0.00 3.14 0.00 0.00 58.73 61.80 3mka h TYR 359 Cb 0.10 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3mka h TYR 359 CO -0.01 0.63 -0.59 0.00 -1.64 0.00 0.00 178.16 176.54 3mka h ALA 360 N 1.42 0.77 -0.26 1.82 0.00 -1.26 -1.52 119.26 120.22 3mka h ALA 360 Ca 0.13 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3mka h ALA 360 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3mka h ALA 360 CO 0.01 0.71 -0.08 0.28 0.00 0.00 0.00 179.25 180.17 3mka h VAL 361 N 0.29 1.29 -0.86 0.00 2.07 -1.05 -1.49 116.25 116.49 3mka h VAL 361 Ca -0.00 -1.12 0.11 0.00 0.82 0.00 0.00 66.70 66.50 3mka h VAL 361 Cb 1.11 1.47 -0.08 0.00 -1.52 0.00 0.00 31.29 32.28 3mka h VAL 361 CO 0.10 0.35 0.49 -0.08 0.02 0.00 0.00 177.57 178.46 3mka h GLU 362 N 0.27 0.78 0.00 1.57 4.57 -0.81 0.64 114.58 121.60 3mka h GLU 362 Ca 0.06 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3mka h GLU 362 Cb 0.57 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3mka h GLU 362 CO 0.03 0.52 -0.00 -0.07 -1.18 0.00 0.00 179.01 178.31 3mka h LEU 363 N 0.81 -0.00 -1.46 1.64 4.07 -0.93 -2.84 115.31 116.59 3mka h LEU 363 Ca 0.42 -0.36 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 3mka h LEU 363 Cb 0.42 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 3mka h LEU 363 CO -0.26 0.36 -0.25 -0.08 -1.08 0.00 0.00 178.44 177.13 3mka h GLU 364 N -0.36 0.00 -0.40 1.13 4.81 -0.94 -2.88 114.58 115.93 3mka h GLU 364 Ca -0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3mka h GLU 364 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3mka h GLU 364 CO 0.00 0.25 0.01 1.25 -0.73 0.00 0.00 179.01 179.79 3mka h HIS 365 N 0.00 0.76 -0.23 0.92 2.76 -0.81 -1.31 115.15 117.24 3mka h HIS 365 Ca -0.00 -0.13 -0.10 0.00 -2.20 0.00 0.00 60.37 57.94 3mka h HIS 365 Cb 0.57 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 3mka h HIS 365 CO 0.00 0.77 -0.27 -0.92 -1.30 0.00 0.00 177.93 176.21 3mka h TYR 366 N 0.53 0.51 -0.54 5.26 3.20 -1.35 -1.08 116.97 123.50 3mka h TYR 366 Ca 0.12 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 3mka h TYR 366 Cb 0.46 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3mka h TYR 366 CO 0.04 0.68 -0.03 1.49 -1.64 0.00 0.00 178.16 178.70 3mka h GLU 367 N 0.40 0.98 -0.17 1.82 4.81 -1.29 -0.36 114.58 120.76 3mka h GLU 367 Ca 0.06 -0.33 -0.18 0.00 -0.13 0.00 0.00 59.36 58.78 3mka h GLU 367 Cb 0.68 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 3mka h GLU 367 CO 0.05 1.00 -0.63 0.87 -0.73 0.00 0.00 179.01 179.57 3mka h LYS 368 N 0.85 0.60 -0.26 1.92 1.57 -1.04 0.40 116.57 120.62 3mka h LYS 368 Ca 0.15 -0.42 -0.17 0.00 -1.87 0.00 0.00 60.65 58.34 3mka h LYS 368 Cb 0.57 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3mka h LYS 368 CO 0.03 1.04 -0.52 -0.07 -0.57 0.00 0.00 179.45 179.37 3mka h LEU 369 N 0.44 0.81 -1.68 2.94 3.38 -1.03 -3.30 115.31 116.88 3mka h LEU 369 Ca -0.01 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3mka h LEU 369 Cb 1.20 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3mka h LEU 369 CO 0.12 1.18 -0.02 -0.62 0.09 0.00 0.00 178.44 179.19 3mka n GLU 370 N -4.00 1.58 -0.85 1.13 -0.58 -0.16 -4.96 120.64 112.80 3mka n GLU 370 Ca -0.03 -1.57 0.00 0.00 -0.42 0.00 0.00 57.16 55.14 3mka n GLU 370 Cb 0.60 -1.35 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 1.06 0.35 3.15 0.62 0.00 0.14 -4.95 105.19 105.56 3mka n GLY 371 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.95 0.01 0.69 1.61 0.11 -1.16 -4.99 120.40 114.72 3mka s VAL 372 Ca 0.00 -0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 58.80 3mka s VAL 372 Cb 0.00 -0.40 0.02 0.00 -1.53 0.00 0.00 36.38 34.47 3mka s VAL 372 CO 0.00 -0.06 1.10 -2.16 -3.33 0.00 0.00 175.10 170.65 3mka s PRO 373 N -0.16 2.65 0.68 1.54 0.04 -1.26 -4.16 135.00 134.34 3mka s PRO 373 Ca -0.03 1.31 -0.16 0.00 0.04 0.00 0.00 61.00 62.16 3mka s PRO 373 Cb -0.03 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.59 3mka s PRO 373 CO 0.01 -1.35 1.18 -0.51 0.04 0.00 0.00 177.00 176.37 3mka s LEU 374 N -5.19 3.41 0.76 -3.56 1.02 -1.26 -5.01 118.68 108.85 3mka s LEU 374 Ca 0.65 2.28 -0.11 0.00 0.02 0.00 0.00 54.13 56.97 3mka s LEU 374 Cb -0.19 -4.58 0.05 0.00 0.02 0.00 0.00 46.19 41.48 3mka s LEU 374 CO 0.46 -1.97 1.08 0.42 0.02 0.00 0.00 176.35 176.37 3mka s THR 375 N -1.98 3.48 0.18 5.49 -4.23 -1.26 -4.79 115.64 112.52 3mka s THR 375 Ca 0.73 0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 61.59 3mka s THR 375 Cb -0.27 -3.07 0.09 0.00 1.34 0.00 0.00 72.50 70.58 3mka s THR 375 CO 0.42 -0.63 1.73 0.15 -0.54 0.00 0.00 174.62 175.75 3mka h PHE 376 N -1.03 0.21 -0.78 3.99 3.57 -1.97 0.54 116.94 121.47 3mka h PHE 376 Ca -0.44 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.16 3mka h PHE 376 Cb 1.23 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 3mka h PHE 376 CO 0.57 0.04 0.51 0.00 -2.23 0.00 0.00 178.31 177.20 3mka h ALA 377 N 1.35 1.69 -0.18 2.41 0.00 -2.00 -0.86 119.26 121.68 3mka h ALA 377 Ca 0.23 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3mka h ALA 377 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3mka h ALA 377 CO -0.28 0.17 -0.44 0.78 0.00 0.00 0.00 179.25 179.48 3mka h GLY 378 N 0.79 0.47 1.11 0.00 0.00 -1.30 -1.99 103.07 102.15 3mka h GLY 378 Ca 0.35 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 3mka h GLY 378 CO -0.13 0.43 0.20 0.50 0.00 0.00 0.00 176.54 177.54 3mka h LYS 379 N 0.35 1.11 -0.09 4.80 1.57 0.23 -1.89 116.57 122.65 3mka h LYS 379 Ca 0.03 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3mka h LYS 379 Cb 0.92 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 3mka h LYS 379 CO 0.08 0.96 0.02 0.82 -0.57 0.00 0.00 179.45 180.76 3mka h ILE 380 N 1.06 1.20 -0.56 1.86 2.04 -1.25 -2.15 117.51 119.72 3mka h ILE 380 Ca 0.23 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.51 3mka h ILE 380 Cb 0.33 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3mka h ILE 380 CO -0.00 0.18 0.37 -1.13 0.00 0.00 0.00 178.15 177.57 3mka h ASN 381 N -0.07 0.52 -0.11 1.72 -0.73 -1.19 -0.23 115.58 115.49 3mka h ASN 381 Ca 0.03 -0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.14 3mka h ASN 381 Cb 0.26 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.74 3mka h ASN 381 CO 0.00 0.35 -0.16 -0.09 -0.37 0.00 0.00 177.43 177.16 3mka h ARG 382 N 0.60 0.30 -0.53 6.67 9.65 -1.12 -2.43 114.38 127.52 3mka h ARG 382 Ca 0.23 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 3mka h ARG 382 Cb 0.17 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 3mka h ARG 382 CO -0.06 0.75 0.28 1.25 2.80 0.00 0.00 179.97 184.99 3mka h LEU 383 N -0.12 0.64 -1.10 3.80 5.85 -0.91 -2.47 115.31 121.01 3mka h LEU 383 Ca 0.01 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3mka h LEU 383 Cb 0.72 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3mka h LEU 383 CO 0.04 0.53 0.19 0.00 -0.34 0.00 0.00 178.44 178.86 3mka h ALA 384 N 1.58 1.28 -0.23 1.25 0.00 -0.89 -0.86 119.26 121.39 3mka h ALA 384 Ca 0.19 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3mka h ALA 384 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3mka h ALA 384 CO -0.03 0.52 -0.09 0.82 0.00 0.00 0.00 179.25 180.47 3mka h ILE 385 N 0.81 1.30 -0.47 0.00 2.04 -1.00 -0.26 117.51 119.93 3mka h ILE 385 Ca 0.19 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.96 3mka h ILE 385 Cb 0.21 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3mka h ILE 385 CO -0.01 0.35 0.22 0.24 0.00 0.00 0.00 178.15 178.95 3mka h MET 386 N 0.20 0.43 0.77 2.37 2.86 -1.15 -0.34 114.93 120.06 3mka h MET 386 Ca 0.06 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3mka h MET 386 Cb 0.58 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.15 3mka h MET 386 CO 0.03 0.28 -0.37 0.28 1.06 0.00 0.00 176.91 178.19 3mka h VAL 387 N 0.44 0.22 -0.92 -2.22 2.07 -1.06 -2.85 116.25 111.93 3mka h VAL 387 Ca 0.21 -0.06 0.20 0.00 0.82 0.00 0.00 66.70 67.87 3mka h VAL 387 Cb 0.14 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 30.07 3mka h VAL 387 CO -0.16 0.01 0.60 -0.09 0.02 0.00 0.00 177.57 177.95 3mka h ARG 388 N -1.08 0.45 -0.08 1.57 2.43 -0.82 0.18 114.38 117.03 3mka h ARG 388 Ca -0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3mka h ARG 388 Cb 0.80 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3mka h ARG 388 CO 0.17 0.29 0.00 0.41 -1.51 0.00 0.00 179.97 179.34 3mka n GLY 389 N -1.49 -0.59 0.00 2.80 0.00 -0.16 -2.08 105.19 103.67 3mka n GLY 389 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.44 1.30 -0.32 1.61 5.15 0.63 -4.78 115.26 118.40 3mka n ASN 390 Ca 0.00 -1.30 0.12 0.00 -0.60 0.00 0.00 54.58 52.80 3mka n ASN 390 Cb 0.02 0.00 0.33 0.00 -0.53 0.00 0.00 39.78 39.60 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 0.75 -0.34 1.20 5.85 -1.45 0.44 115.31 121.77 3mka h LEU 391 Ca 0.00 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 3mka h LEU 391 Cb 0.15 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3mka h LEU 391 CO 0.00 0.34 -0.38 0.00 -0.34 0.00 0.00 178.44 178.06 3mka h ALA 392 N 1.60 0.50 -0.40 1.25 0.00 -1.86 -2.59 119.26 117.76 3mka h ALA 392 Ca 0.51 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3mka h ALA 392 Cb 0.76 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3mka h ALA 392 CO -0.28 0.60 0.07 0.00 0.00 0.00 0.00 179.25 179.64 3mka h ALA 393 N 0.73 0.52 0.00 0.00 0.00 -1.71 -2.66 119.26 116.14 3mka h ALA 393 Ca 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3mka h ALA 393 Cb 0.97 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3mka h ALA 393 CO 0.09 0.23 -0.05 0.00 0.00 0.00 0.00 179.25 179.53 3mka h ALA 394 N 0.93 1.31 0.00 0.00 0.00 -0.90 0.15 119.26 120.75 3mka h ALA 394 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3mka h ALA 394 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3mka h ALA 394 CO 0.01 0.06 -0.38 0.52 0.00 0.00 0.00 179.25 179.46 3mka h MET 395 N 0.00 0.00 -0.64 0.00 2.86 -1.11 -2.65 114.93 113.40 3mka h MET 395 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3mka h MET 395 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3mka h MET 395 CO 0.01 0.38 0.00 1.04 1.06 0.00 0.00 176.91 179.39 3mka n GLN 396 N -3.47 4.01 0.00 1.72 6.02 0.50 -4.94 117.38 121.22 3mka n GLN 396 Ca 0.00 -2.69 0.00 0.00 -0.01 0.00 0.00 57.00 54.30 3mka n GLN 396 Cb 0.53 -2.03 0.00 0.00 1.02 0.00 0.00 30.24 29.76 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 0.79 3.17 2.16 1.08 0.00 -1.00 -4.95 105.19 106.44 3mka n GLY 397 Ca 0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 3mka n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mka n LEU 398 N 0.00 6.76 -4.72 0.99 4.77 -1.04 -4.70 117.00 119.06 3mka n LEU 398 Ca 0.00 -3.74 -0.42 0.00 -0.03 0.00 0.00 56.01 51.83 3mka n LEU 398 Cb 0.00 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 39.59 3mka n LEU 398 CO 0.00 1.86 0.67 -0.22 -1.33 0.00 0.00 177.39 178.37 3mka s LEU 399 N -0.11 4.41 -0.30 2.23 2.96 -1.26 -3.82 118.68 122.79 3mka s LEU 399 Ca 0.67 1.69 -0.01 0.00 -0.22 0.00 0.00 54.13 56.27 3mka s LEU 399 Cb 0.26 -3.56 0.10 0.00 0.50 0.00 0.00 46.19 43.49 3mka s LEU 399 CO -0.04 -0.19 0.09 0.00 -1.32 0.00 0.00 176.35 174.89 3mka s ALA 400 N 0.66 1.48 -0.51 5.97 0.00 -1.26 -0.32 121.76 127.78 3mka s ALA 400 Ca 0.50 -1.58 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 3mka s ALA 400 Cb -0.22 -1.58 0.11 0.00 0.00 0.00 0.00 23.12 21.43 3mka s ALA 400 CO 0.28 -1.62 0.44 -1.17 0.00 0.00 0.00 175.76 173.69 3mka s LEU 401 N 1.65 5.92 0.40 0.00 2.96 0.41 -4.95 118.68 125.07 3mka s LEU 401 Ca 0.09 -1.65 -0.12 0.00 -0.22 0.00 0.00 54.13 52.22 3mka s LEU 401 Cb -0.17 -2.17 -0.07 0.00 0.50 0.00 0.00 46.19 44.28 3mka s LEU 401 CO -0.24 -0.76 0.79 -2.16 -1.32 0.00 0.00 176.35 172.66 3mka s PRO 402 N 1.58 3.86 -0.10 0.98 0.04 -1.26 -2.36 135.00 137.73 3mka s PRO 402 Ca 0.04 0.59 0.04 0.00 0.04 0.00 0.00 61.00 61.70 3mka s PRO 402 Cb -0.28 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.90 3mka s PRO 402 CO 0.04 -0.03 -0.23 -1.17 0.04 0.00 0.00 177.00 175.65 3mka s LEU 403 N -3.68 2.06 -0.11 -3.56 2.96 0.50 -3.24 118.68 113.61 3mka s LEU 403 Ca 0.53 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 3mka s LEU 403 Cb -0.10 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.19 3mka s LEU 403 CO 0.28 0.15 -0.14 -0.22 -1.32 0.00 0.00 176.35 175.10 3mka s LEU 404 N 0.38 2.70 -0.07 -0.68 2.96 0.62 -1.65 118.68 122.94 3mka s LEU 404 Ca -0.18 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 3mka s LEU 404 Cb -0.18 -1.59 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 3mka s LEU 404 CO 0.08 0.21 -0.22 0.00 -1.32 0.00 0.00 176.35 175.10 3mka s ALA 405 N 0.10 1.97 0.09 5.97 0.00 -0.33 -0.53 121.76 129.02 3mka s ALA 405 Ca -0.06 -0.89 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 3mka s ALA 405 Cb -0.15 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.30 3mka s ALA 405 CO 0.05 0.31 0.29 0.20 0.00 0.00 0.00 175.76 176.61 3mka s GLY 406 N 0.18 -0.10 -0.18 0.00 0.00 -0.31 -0.57 107.32 106.34 3mka s GLY 406 Ca -0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.34 3mka s GLY 406 CO 0.06 -0.45 -0.05 -0.47 0.00 0.00 0.00 173.10 172.19 3mka s TYR 407 N -3.42 2.97 -0.38 1.90 5.04 -0.37 0.16 117.35 123.25 3mka s TYR 407 Ca 0.01 -0.60 -0.17 0.00 -2.44 0.00 0.00 57.07 53.87 3mka s TYR 407 Cb 0.02 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.32 3mka s TYR 407 CO -0.09 -0.28 0.46 0.34 -1.34 0.00 0.00 175.55 174.64 3mka s ASP 408 N 0.87 6.23 0.30 4.32 2.15 -0.80 -4.88 116.67 124.86 3mka s ASP 408 Ca -0.01 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 52.63 3mka s ASP 408 Cb -0.15 -2.24 0.46 0.00 -0.30 0.00 0.00 42.92 40.70 3mka s ASP 408 CO 0.01 -0.50 1.84 0.16 -0.17 0.00 0.00 175.17 176.51 3mka h ILE 409 N 5.66 1.22 -0.04 4.11 3.07 -1.97 -2.61 117.51 126.94 3mka h ILE 409 Ca -0.28 -0.79 0.00 0.00 1.55 0.00 0.00 64.86 65.34 3mka h ILE 409 Cb 1.12 0.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.41 3mka h ILE 409 CO 0.77 0.29 0.00 1.41 -1.05 0.00 0.00 178.15 179.57 3mka n HIS 410 N -4.28 0.04 -1.98 0.16 8.25 -1.26 -4.89 115.22 111.26 3mka n HIS 410 Ca 0.03 -0.02 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 3mka n HIS 410 Cb 0.23 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.96 2.69 0.20 -1.41 0.00 -0.99 -4.93 121.76 115.36 3mka s ALA 411 Ca 0.39 1.10 -0.10 0.00 0.00 0.00 0.00 51.96 53.34 3mka s ALA 411 Cb 0.20 -3.48 0.14 0.00 0.00 0.00 0.00 23.12 19.98 3mka s ALA 411 CO 0.32 -1.16 1.84 0.66 0.00 0.00 0.00 175.76 177.42 3mka h SER 412 N 1.24 0.87 -4.27 0.00 4.64 -1.90 -3.42 113.55 110.72 3mka h SER 412 Ca -0.50 -0.06 -0.52 0.00 -0.47 0.00 0.00 61.79 60.23 3mka h SER 412 Cb 1.29 -0.22 -0.29 0.00 -0.31 0.00 0.00 62.40 62.87 3mka h SER 412 CO 0.56 0.68 -0.82 1.51 -0.87 0.00 0.00 176.83 177.89 3mka s ASP 413 N -5.96 1.88 0.31 4.97 1.47 -1.26 -5.04 116.67 113.04 3mka s ASP 413 Ca -0.13 -0.29 0.01 0.00 1.18 0.00 0.00 52.55 53.31 3mka s ASP 413 Cb 0.15 -0.21 0.50 0.00 -0.34 0.00 0.00 42.92 43.02 3mka s ASP 413 CO 0.79 0.19 1.89 -0.65 0.68 0.00 0.00 175.17 178.07 3mka h PRO 414 N 5.72 0.80 -0.94 2.11 0.11 -1.94 -1.45 132.00 136.41 3mka h PRO 414 Ca -0.36 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3mka h PRO 414 Cb 1.16 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 3mka h PRO 414 CO 0.48 0.66 0.57 1.96 -0.21 0.00 0.00 178.00 181.47 3mka h GLN 415 N 0.79 1.28 -0.51 1.05 1.08 -1.91 -0.85 115.11 116.04 3mka h GLN 415 Ca 0.19 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3mka h GLN 415 Cb 0.16 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 3mka h GLN 415 CO -0.02 0.89 0.00 -1.13 -0.95 0.00 0.00 178.83 177.63 3mka n SER 416 N -4.36 3.08 -0.18 1.46 3.41 -1.10 -2.51 113.62 113.42 3mka n SER 416 Ca 0.11 -1.97 -0.02 0.00 -0.26 0.00 0.00 58.87 56.73 3mka n SER 416 Cb 0.06 -0.34 0.20 0.00 -0.26 0.00 0.00 64.21 63.87 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 4.17 1.29 -2.95 7.33 0.00 -0.04 -3.45 119.26 125.61 3mka h ALA 417 Ca 0.00 -0.14 -0.54 0.00 0.00 0.00 0.00 54.91 54.23 3mka h ALA 417 Cb 0.80 -0.26 0.11 0.00 0.00 0.00 0.00 17.79 18.44 3mka h ALA 417 CO 0.00 0.54 0.64 0.20 0.00 0.00 0.00 179.25 180.63 3mka s GLY 418 N -3.50 2.90 0.01 0.00 0.00 -1.26 -1.91 107.32 103.56 3mka s GLY 418 Ca -0.11 1.33 0.04 0.00 0.00 0.00 0.00 44.72 45.98 3mka s GLY 418 CO 0.80 1.89 -0.11 0.50 0.00 0.00 0.00 173.10 176.18 3mka s ARG 419 N -2.56 0.84 -0.07 2.90 1.81 0.43 -4.91 118.95 117.39 3mka s ARG 419 Ca 0.63 -0.50 0.01 0.00 -1.72 0.00 0.00 55.73 54.16 3mka s ARG 419 Cb -0.40 -0.81 0.02 0.00 -0.45 0.00 0.00 34.95 33.31 3mka s ARG 419 CO 0.50 0.21 -0.08 0.42 -0.68 0.00 0.00 175.30 175.67 3mka s ILE 420 N -0.48 0.92 -0.05 1.52 1.01 -1.26 -1.16 121.20 121.70 3mka s ILE 420 Ca 0.02 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3mka s ILE 420 Cb -0.05 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.53 3mka s ILE 420 CO 0.00 0.32 -0.10 -0.69 0.00 0.00 0.00 174.94 174.47 3mka s VAL 421 N 1.09 0.95 0.15 2.92 1.01 0.31 0.16 120.40 126.99 3mka s VAL 421 Ca -0.07 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.59 3mka s VAL 421 Cb -0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3mka s VAL 421 CO -0.01 0.31 -0.05 -0.94 0.00 0.00 0.00 175.10 174.41 3mka s SER 422 N 0.60 4.57 -0.04 3.32 1.04 -0.55 -0.28 113.70 122.36 3mka s SER 422 Ca -0.11 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 55.95 3mka s SER 422 Cb -0.14 -0.91 -0.01 0.00 0.10 0.00 0.00 66.02 65.06 3mka s SER 422 CO 0.02 0.12 -0.22 -0.36 0.98 0.00 0.00 173.24 173.79 3mka s PHE 423 N -1.56 2.08 0.65 5.02 0.08 -1.20 -1.16 117.98 121.90 3mka s PHE 423 Ca 0.25 -0.56 -0.02 0.00 0.12 0.00 0.00 56.93 56.72 3mka s PHE 423 Cb -0.10 -1.37 0.07 0.00 -0.57 0.00 0.00 43.02 41.05 3mka s PHE 423 CO 0.16 -0.15 0.92 0.16 -0.10 0.00 0.00 175.22 176.21 3mka s ASP 424 N -0.18 4.84 0.56 1.36 1.47 0.04 -4.69 116.67 120.06 3mka s ASP 424 Ca -0.01 0.08 0.37 0.00 1.18 0.00 0.00 52.55 54.18 3mka s ASP 424 Cb -0.12 -0.75 1.96 0.00 -0.34 0.00 0.00 42.92 43.67 3mka s ASP 424 CO 0.02 -1.51 2.14 0.00 0.68 0.00 0.00 175.17 176.50 3mka h ALA 425 N -0.35 1.00 -0.18 2.11 0.00 -1.95 -1.75 119.26 118.14 3mka h ALA 425 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3mka h ALA 425 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3mka h ALA 425 CO 0.52 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3mka n ALA 426 N -2.00 2.50 -0.01 0.00 0.00 -1.26 -4.51 120.51 115.23 3mka n ALA 426 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.78 3mka n ALA 426 Cb 0.10 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.24 0.51 3.70 0.00 0.00 -0.66 -4.47 105.19 105.51 3mka n GLY 427 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3mka n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mka n GLY 428 N -2.00 1.09 3.41 -0.02 0.00 -1.26 -4.73 105.19 101.68 3mka n GLY 428 Ca 0.00 0.50 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 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 0.12 2.32 -0.02 1.61 1.48 -1.26 -0.78 118.94 122.40 3mka s TRP 429 Ca 0.68 -0.36 -0.00 0.00 -1.06 0.00 0.00 56.10 55.35 3mka s TRP 429 Cb -0.58 -1.20 0.03 0.00 -1.16 0.00 0.00 33.47 30.56 3mka s TRP 429 CO 0.47 0.42 0.04 1.21 -4.06 0.00 0.00 176.95 175.03 3mka s ASN 430 N -2.37 0.04 -0.30 -2.66 2.47 -0.31 -4.96 114.94 106.86 3mka s ASN 430 Ca 0.18 0.06 -0.26 0.00 0.42 0.00 0.00 52.86 53.26 3mka s ASN 430 Cb -0.09 -0.03 0.01 0.00 -1.45 0.00 0.00 41.25 39.68 3mka s ASN 430 CO 0.08 -0.12 0.91 -0.63 -3.72 0.00 0.00 177.10 173.62 3mka s ILE 431 N 0.96 4.69 -0.28 -5.21 1.01 -1.26 -1.49 121.20 119.63 3mka s ILE 431 Ca -0.08 1.46 -0.29 0.00 0.00 0.00 0.00 60.65 61.74 3mka s ILE 431 Cb -0.11 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 3mka s ILE 431 CO -0.03 -0.32 1.59 -1.61 0.00 0.00 0.00 174.94 174.57 3mka s GLU 432 N 3.21 3.69 -0.03 2.79 0.41 0.12 -4.92 118.70 123.98 3mka s GLU 432 Ca 0.38 1.47 0.02 0.00 -0.41 0.00 0.00 54.97 56.43 3mka s GLU 432 Cb -0.14 -4.05 -0.25 0.00 -1.78 0.00 0.00 34.13 27.91 3mka s GLU 432 CO 0.13 -1.42 0.73 0.93 -0.49 0.00 0.00 175.26 175.13 3mka h GLU 433 N 10.97 0.15 -0.34 1.61 4.39 -1.92 -3.35 114.58 126.08 3mka h GLU 433 Ca -0.32 -0.25 0.10 0.00 0.34 0.00 0.00 59.36 59.23 3mka h GLU 433 Cb 1.14 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 3mka h GLU 433 CO 1.02 0.92 0.44 0.93 -1.16 0.00 0.00 179.01 181.16 3mka h GLU 434 N 0.04 0.00 0.00 2.33 4.39 -2.00 -3.44 114.58 115.89 3mka h GLU 434 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3mka h GLU 434 Cb 2.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 3mka h GLU 434 CO 0.12 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.38 3mka n GLY 435 N -1.44 2.32 3.47 -3.84 0.00 -1.26 -5.06 105.19 99.38 3mka n GLY 435 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.26 -0.06 0.09 1.61 -0.85 -1.26 -0.48 117.35 114.14 3mka s TYR 436 Ca 0.00 -0.28 -0.26 0.00 -0.52 0.00 0.00 57.07 56.01 3mka s TYR 436 Cb 0.00 0.31 0.08 0.00 0.38 0.00 0.00 41.96 42.73 3mka s TYR 436 CO 0.00 -0.86 0.77 -1.14 -1.52 0.00 0.00 175.55 172.80 3mka s GLN 437 N -3.88 1.10 0.03 -3.49 2.00 0.07 -4.94 119.66 110.55 3mka s GLN 437 Ca 0.09 -0.45 -0.16 0.00 -2.00 0.00 0.00 55.36 52.84 3mka s GLN 437 Cb -0.00 0.48 0.03 0.00 0.80 0.00 0.00 33.01 34.32 3mka s GLN 437 CO -0.04 -0.49 0.36 0.00 -0.50 0.00 0.00 175.29 174.63 3mka s ALA 438 N -3.44 -0.88 0.05 1.58 0.00 -1.26 -0.82 121.76 116.99 3mka s ALA 438 Ca 0.05 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.24 3mka s ALA 438 Cb -0.01 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 3mka s ALA 438 CO -0.08 -0.39 0.00 0.14 0.00 0.00 0.00 175.76 175.42 3mka s VAL 439 N -2.18 0.18 0.00 0.00 -7.23 -0.33 -4.89 120.40 105.95 3mka s VAL 439 Ca -0.07 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 3mka s VAL 439 Cb -0.02 -1.20 0.00 0.00 0.56 0.00 0.00 36.38 35.72 3mka s VAL 439 CO -0.01 -0.83 0.00 0.61 -0.31 0.00 0.00 175.10 174.56 3mka n GLY 440 N 0.45 -0.91 0.27 2.32 0.00 -1.26 -0.98 105.19 105.09 3mka n GLY 440 Ca -0.17 -2.24 0.15 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.25 1.61 4.64 -1.84 -2.66 113.55 115.04 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 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3mka n GLY 442 N -0.35 3.52 0.37 -0.77 0.00 -1.26 -4.72 105.19 101.97 3mka n GLY 442 Ca -0.01 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 1.57 0.61 -0.40 1.61 4.64 -1.70 -0.74 113.55 119.14 3mka h SER 443 Ca 0.00 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 3mka h SER 443 Cb 1.04 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3mka h SER 443 CO 0.10 0.34 0.03 -0.07 -0.87 0.00 0.00 176.83 176.35 3mka h LEU 444 N 0.66 0.67 -0.60 5.97 4.07 -1.84 0.85 115.31 125.08 3mka h LEU 444 Ca 0.39 -0.29 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 3mka h LEU 444 Cb 0.59 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 3mka h LEU 444 CO -0.16 0.79 0.37 -0.26 -1.08 0.00 0.00 178.44 178.10 3mka h PHE 445 N 0.53 0.80 -0.52 1.13 0.04 -1.75 -1.44 116.94 115.73 3mka h PHE 445 Ca 0.12 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 3mka h PHE 445 Cb 0.43 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 3mka h PHE 445 CO 0.03 0.54 0.13 0.00 -0.60 0.00 0.00 178.31 178.42 3mka h ALA 446 N 1.19 0.68 -0.53 2.45 0.00 -0.90 -2.09 119.26 120.06 3mka h ALA 446 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3mka h ALA 446 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3mka h ALA 446 CO -0.04 0.37 0.22 0.87 0.00 0.00 0.00 179.25 180.67 3mka h LYS 447 N 0.72 0.79 -0.35 0.00 1.57 -0.65 -1.29 116.57 117.36 3mka h LYS 447 Ca 0.16 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3mka h LYS 447 Cb 0.33 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3mka h LYS 447 CO 0.00 0.69 -0.03 0.77 -0.57 0.00 0.00 179.45 180.31 3mka h SER 448 N 0.72 0.54 0.02 0.86 0.02 -1.05 -0.30 113.55 114.36 3mka h SER 448 Ca 0.18 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3mka h SER 448 Cb 0.19 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3mka h SER 448 CO -0.02 0.63 -0.01 -1.28 -1.14 0.00 0.00 176.83 175.01 3mka h SER 449 N 0.54 -0.03 -0.80 3.07 0.87 -1.13 -3.14 113.55 112.93 3mka h SER 449 Ca 0.11 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 3mka h SER 449 Cb 0.39 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 3mka h SER 449 CO 0.02 0.30 0.49 0.24 -0.53 0.00 0.00 176.83 177.34 3mka h MET 450 N -0.35 1.09 -0.96 2.24 2.07 -0.86 -0.92 114.93 117.24 3mka h MET 450 Ca -0.00 -0.09 0.24 0.00 -2.07 0.00 0.00 59.70 57.78 3mka h MET 450 Cb 0.33 -0.23 -0.07 0.00 -1.87 0.00 0.00 31.60 29.77 3mka h MET 450 CO 0.01 0.76 0.65 -0.22 1.07 0.00 0.00 176.91 179.18 3mka h LYS 451 N 1.11 0.28 0.12 1.72 3.64 -1.01 0.26 116.57 122.69 3mka h LYS 451 Ca 0.29 -0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.30 3mka h LYS 451 Cb -0.05 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3mka h LYS 451 CO -0.06 0.18 -1.90 0.87 -2.27 0.00 0.00 179.45 176.28 3mka h LYS 452 N 0.28 0.26 0.00 1.90 1.79 -1.20 -3.38 116.57 116.22 3mka h LYS 452 Ca 0.50 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3mka h LYS 452 Cb 1.46 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.28 3mka h LYS 452 CO -0.16 1.15 -0.04 1.28 -1.08 0.00 0.00 179.45 180.60 3mka n LEU 453 N -3.45 0.64 -0.34 2.94 4.77 -0.59 -4.42 117.00 116.55 3mka n LEU 453 Ca -0.28 0.53 0.01 0.00 -0.03 0.00 0.00 56.01 56.24 3mka n LEU 453 Cb 1.05 -0.35 0.15 0.00 -2.33 0.00 0.00 43.42 41.95 3mka n LEU 453 CO 0.45 -0.13 1.23 0.22 -1.33 0.00 0.00 177.39 177.83 3mka h TYR 454 N 0.00 1.11 -0.12 -1.77 3.20 -0.68 -1.91 116.97 116.80 3mka h TYR 454 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 3mka h TYR 454 Cb 0.69 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 3mka h TYR 454 CO 0.00 0.57 0.28 0.66 -1.64 0.00 0.00 178.16 178.03 3mka h SER 455 N 1.09 0.00 0.03 -2.11 4.64 -1.85 -0.25 113.55 115.09 3mka h SER 455 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3mka h SER 455 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3mka h SER 455 CO -0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.79 3mka n GLN 456 N -3.28 1.01 -3.20 4.77 6.02 -0.72 -4.79 117.38 117.18 3mka n GLN 456 Ca 0.00 -0.05 -0.40 0.00 -0.01 0.00 0.00 57.00 56.55 3mka n GLN 456 Cb 0.37 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.06 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 -2.03 5.07 0.00 5.09 1.01 -0.11 -4.80 120.40 124.63 3mka s VAL 457 Ca 0.47 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.46 3mka s VAL 457 Cb 0.22 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3mka s VAL 457 CO 0.37 0.14 0.03 0.35 0.00 0.00 0.00 175.10 176.00 3mka n THR 458 N 4.69 0.00 -3.49 3.92 -2.24 -1.26 -4.94 114.28 110.95 3mka n THR 458 Ca -0.04 -0.16 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 3mka n THR 458 Cb 0.50 1.15 0.01 0.00 -2.10 0.00 0.00 70.33 69.89 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 -0.25 -1.12 0.27 3.42 5.68 -1.26 -4.61 116.55 118.69 3mka n ASP 459 Ca 0.00 -1.72 0.14 0.00 -0.50 0.00 0.00 54.79 52.71 3mka n ASP 459 Cb 0.04 1.85 0.73 0.00 -1.14 0.00 0.00 41.12 42.60 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 1.04 0.00 0.59 6.12 0.00 -1.95 -1.26 103.07 107.61 3mka h GLY 460 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.85 3mka h GLY 460 CO 0.21 0.00 -1.65 -0.55 0.00 0.00 0.00 176.54 174.55 3mka h ASP 461 N 0.00 0.40 -0.40 0.19 3.32 -1.99 -2.60 116.42 115.34 3mka h ASP 461 Ca -0.00 -0.87 -0.04 0.00 0.02 0.00 0.00 57.03 56.13 3mka h ASP 461 Cb 0.39 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3mka h ASP 461 CO 0.01 1.72 0.11 0.77 -1.72 0.00 0.00 179.24 180.13 3mka h SER 462 N -0.17 0.66 -0.55 6.45 4.64 -1.86 -1.54 113.55 121.18 3mka h SER 462 Ca -0.35 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 60.78 3mka h SER 462 Cb 1.87 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.77 3mka h SER 462 CO 0.07 0.66 0.06 1.23 -0.87 0.00 0.00 176.83 177.97 3mka h GLY 463 N 0.90 1.01 1.45 -0.77 0.00 -1.33 -1.70 103.07 102.63 3mka h GLY 463 Ca 0.16 -0.70 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 3mka h GLY 463 CO -0.00 0.64 0.06 -2.00 0.00 0.00 0.00 176.54 175.25 3mka h LEU 464 N 0.82 0.64 0.19 3.11 5.85 -1.03 -1.40 115.31 123.49 3mka h LEU 464 Ca 0.16 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3mka h LEU 464 Cb 0.46 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3mka h LEU 464 CO 0.02 0.67 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.61 3mka h ARG 465 N 0.66 -0.24 -1.00 1.25 2.43 -0.93 -1.66 114.38 114.88 3mka h ARG 465 Ca 0.14 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.50 3mka h ARG 465 Cb 0.32 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.82 3mka h ARG 465 CO 0.00 0.06 0.62 0.28 -1.51 0.00 0.00 179.97 179.43 3mka h VAL 466 N -0.55 0.78 -0.11 0.20 2.07 -1.20 -0.28 116.25 117.16 3mka h VAL 466 Ca -0.03 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3mka h VAL 466 Cb 0.42 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3mka h VAL 466 CO 0.04 0.15 -0.00 0.00 0.02 0.00 0.00 177.57 177.78 3mka h ALA 467 N 1.61 0.15 0.00 1.67 0.00 -1.11 0.55 119.26 122.14 3mka h ALA 467 Ca 0.55 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3mka h ALA 467 Cb 0.76 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3mka h ALA 467 CO -0.34 -0.15 -0.20 0.28 0.00 0.00 0.00 179.25 178.84 3mka h VAL 468 N -0.08 0.79 0.06 0.00 2.07 -0.89 -2.37 116.25 115.83 3mka h VAL 468 Ca 0.03 -0.80 -0.24 0.00 0.82 0.00 0.00 66.70 66.51 3mka h VAL 468 Cb 0.37 1.48 0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3mka h VAL 468 CO 0.01 0.20 -0.99 -0.08 0.02 0.00 0.00 177.57 176.72 3mka h GLU 469 N 0.00 0.57 -0.31 1.57 4.81 -0.67 -2.12 114.58 118.42 3mka h GLU 469 Ca -0.00 -0.69 -0.00 0.00 -0.13 0.00 0.00 59.36 58.54 3mka h GLU 469 Cb 0.47 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 3mka h GLU 469 CO 0.03 1.29 0.18 0.00 -0.73 0.00 0.00 179.01 179.77 3mka h ALA 470 N 0.31 1.74 -0.00 2.92 0.00 -0.72 0.16 119.26 123.66 3mka h ALA 470 Ca -0.14 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 3mka h ALA 470 Cb 1.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3mka h ALA 470 CO 0.19 0.23 -0.78 1.25 0.00 0.00 0.00 179.25 180.14 3mka h LEU 471 N 0.42 0.03 -0.36 0.00 5.85 -1.40 -2.13 115.31 117.73 3mka h LEU 471 Ca 0.11 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3mka h LEU 471 Cb -0.01 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3mka h LEU 471 CO -0.02 0.79 0.00 0.22 -0.34 0.00 0.00 178.44 179.09 3mka h TYR 472 N 0.01 0.68 -0.08 1.25 3.20 -0.33 -1.98 116.97 119.73 3mka h TYR 472 Ca -0.01 -0.12 -0.07 0.00 3.14 0.00 0.00 58.73 61.67 3mka h TYR 472 Cb 1.37 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3mka h TYR 472 CO 0.00 0.73 -0.26 -0.44 -1.64 0.00 0.00 178.16 176.56 3mka h ASP 473 N 0.44 0.13 -0.28 -2.11 3.32 -1.03 -1.91 116.42 114.99 3mka h ASP 473 Ca 0.10 -0.04 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 3mka h ASP 473 Cb 0.46 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3mka h ASP 473 CO 0.02 0.40 -0.47 0.00 -1.72 0.00 0.00 179.24 177.47 3mka h ALA 474 N 1.62 0.43 0.00 3.45 0.00 -1.16 -2.98 119.26 120.62 3mka h ALA 474 Ca 0.02 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3mka h ALA 474 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3mka h ALA 474 CO 0.04 0.59 -0.30 0.00 0.00 0.00 0.00 179.25 179.58 3mka h ALA 475 N 0.67 1.38 -0.39 0.00 0.00 -0.91 -1.94 119.26 118.07 3mka h ALA 475 Ca 0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3mka h ALA 475 Cb 1.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3mka h ALA 475 CO 0.11 0.37 -0.06 0.22 0.00 0.00 0.00 179.25 179.88 3mka h ASP 476 N 0.00 0.63 -0.01 0.00 3.58 -1.21 -3.30 116.42 116.10 3mka h ASP 476 Ca -0.00 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.29 3mka h ASP 476 Cb 0.57 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.45 3mka h ASP 476 CO 0.04 0.74 -0.12 0.47 -2.88 0.00 0.00 179.24 177.49 3mka n ASP 477 N -4.21 1.75 -3.87 2.28 8.00 -1.07 -4.94 116.55 114.49 3mka n ASP 477 Ca 0.01 -1.38 -0.23 0.00 0.71 0.00 0.00 54.79 53.91 3mka n ASP 477 Cb 0.31 0.22 -0.17 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.31 1.56 0.46 -2.24 2.15 -0.75 -5.00 116.67 111.53 3mka s ASP 478 Ca 0.13 -0.18 0.29 0.00 0.43 0.00 0.00 52.55 53.22 3mka s ASP 478 Cb 0.10 -0.59 0.97 0.00 -0.30 0.00 0.00 42.92 43.11 3mka s ASP 478 CO 0.23 -0.11 1.82 0.77 -0.17 0.00 0.00 175.17 177.72 3mka h SER 479 N 7.78 0.00 1.14 -0.34 4.64 -1.88 -2.86 113.55 122.03 3mka h SER 479 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3mka h SER 479 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3mka h SER 479 CO 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 3mka n ALA 480 N -2.03 2.29 -2.91 5.18 0.00 -1.26 -4.69 120.51 117.08 3mka n ALA 480 Ca 0.02 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 3mka n ALA 480 Cb 0.37 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 3mka n ALA 480 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mka s THR 481 N -3.04 4.31 -0.04 0.00 2.01 -1.08 -4.49 115.64 113.31 3mka s THR 481 Ca 0.13 -0.20 -0.10 0.00 0.31 0.00 0.00 61.69 61.82 3mka s THR 481 Cb 0.16 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 3mka s THR 481 CO 0.54 0.46 0.28 -0.83 -0.69 0.00 0.00 174.62 174.39 3mka s GLY 482 N 0.50 2.31 0.27 4.40 0.00 -1.26 -4.52 107.32 109.02 3mka s GLY 482 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 44.30 3mka s GLY 482 CO 0.02 -0.16 0.37 0.61 0.00 0.00 0.00 173.10 173.94 3mka n GLY 483 N 1.74 1.55 3.66 0.20 0.00 -1.26 -4.47 105.19 106.60 3mka n GLY 483 Ca -0.16 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 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 -1.62 2.65 -2.89 1.61 -0.04 -1.26 -4.93 135.00 128.52 3mka n PRO 484 Ca 0.07 0.95 -0.43 0.00 -0.04 0.00 0.00 63.50 64.05 3mka n PRO 484 Cb 0.25 -2.97 -0.04 0.00 -0.04 0.00 0.00 33.50 30.71 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 4.82 6.22 0.43 3.54 -1.08 -0.40 -4.90 116.67 125.31 3mka s ASP 485 Ca 0.91 -1.15 0.23 0.00 -0.52 0.00 0.00 52.55 52.03 3mka s ASP 485 Cb -0.47 -2.40 0.83 0.00 -1.46 0.00 0.00 42.92 39.41 3mka s ASP 485 CO 0.43 -1.37 1.79 -0.07 0.52 0.00 0.00 175.17 176.47 3mka h LEU 486 N 11.11 0.00 -0.16 -1.34 4.07 -1.92 0.30 115.31 127.37 3mka h LEU 486 Ca -0.24 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.50 3mka h LEU 486 Cb 1.07 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.82 3mka h LEU 486 CO 1.17 0.23 -0.76 0.58 -1.08 0.00 0.00 178.44 178.58 3mka h VAL 487 N 0.00 1.28 0.00 1.22 2.07 -1.97 -3.28 116.25 115.57 3mka h VAL 487 Ca -0.00 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.56 3mka h VAL 487 Cb 0.81 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3mka h VAL 487 CO 0.03 0.62 -1.27 0.54 0.02 0.00 0.00 177.57 177.51 3mka n ARG 488 N -3.96 0.37 -2.57 1.57 1.74 -1.23 -5.00 116.66 107.58 3mka n ARG 488 Ca -0.07 -0.04 -0.06 0.00 -0.77 0.00 0.00 57.85 56.90 3mka n ARG 488 Cb 0.74 -1.58 0.03 0.00 -1.02 0.00 0.00 32.46 30.62 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 1.34 0.30 3.34 -0.13 0.00 0.97 -5.03 105.19 105.98 3mka n GLY 489 Ca 0.01 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.11 2.98 0.34 -0.61 1.01 -0.76 -5.00 121.20 116.05 3mka s ILE 490 Ca 0.06 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.07 3mka s ILE 490 Cb -0.03 -2.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.12 3mka s ILE 490 CO 0.22 0.51 0.06 -0.36 0.00 0.00 0.00 174.94 175.38 3mka s PHE 491 N 0.56 1.98 0.89 3.97 0.08 -1.26 -1.27 117.98 122.93 3mka s PHE 491 Ca -0.08 -0.97 -0.11 0.00 0.12 0.00 0.00 56.93 55.90 3mka s PHE 491 Cb -0.16 -1.31 0.13 0.00 -0.57 0.00 0.00 43.02 41.12 3mka s PHE 491 CO 0.04 0.01 1.16 -2.14 -0.10 0.00 0.00 175.22 174.19 3mka s PRO 492 N -3.87 1.12 0.06 0.24 0.02 -1.26 -4.77 135.00 126.54 3mka s PRO 492 Ca 0.35 1.59 0.03 0.00 0.02 0.00 0.00 61.00 62.99 3mka s PRO 492 Cb 0.08 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.83 3mka s PRO 492 CO 0.15 -2.56 0.05 0.95 -0.33 0.00 0.00 177.00 175.26 3mka s THR 493 N -2.56 4.40 0.07 0.99 -4.23 -0.80 -4.93 115.64 108.57 3mka s THR 493 Ca 0.68 -0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 60.44 3mka s THR 493 Cb -0.24 -3.08 -0.04 0.00 1.34 0.00 0.00 72.50 70.48 3mka s THR 493 CO 0.57 0.19 -0.02 0.00 -0.54 0.00 0.00 174.62 174.81 3mka s ALA 494 N -1.31 0.65 -0.00 3.99 0.00 -1.26 -1.61 121.76 122.21 3mka s ALA 494 Ca 0.26 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3mka s ALA 494 Cb -0.12 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.36 3mka s ALA 494 CO 0.19 -0.37 0.00 0.08 0.00 0.00 0.00 175.76 175.66 3mka s VAL 495 N -3.89 0.01 0.02 0.00 1.01 -0.14 -1.33 120.40 116.09 3mka s VAL 495 Ca 0.11 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.18 3mka s VAL 495 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 36.38 36.40 3mka s VAL 495 CO -0.07 0.02 -0.22 -0.51 0.00 0.00 0.00 175.10 174.31 3mka s ILE 496 N 0.16 1.78 -0.07 2.22 2.07 -0.34 -1.00 121.20 126.03 3mka s ILE 496 Ca -0.01 -1.15 -0.01 0.00 -1.41 0.00 0.00 60.65 58.07 3mka s ILE 496 Cb -0.02 -1.52 0.03 0.00 0.13 0.00 0.00 42.46 41.08 3mka s ILE 496 CO -0.00 0.33 -0.01 -0.63 -1.91 0.00 0.00 174.94 172.72 3mka s ILE 497 N -0.70 0.45 0.00 2.00 1.01 -0.30 -0.46 121.20 123.19 3mka s ILE 497 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.77 3mka s ILE 497 Cb -0.09 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.82 3mka s ILE 497 CO 0.01 0.26 0.00 -0.90 0.00 0.00 0.00 174.94 174.30 3mka n ASP 498 N 4.84 0.80 -0.12 3.58 5.68 -1.16 -1.23 116.55 128.94 3mka n ASP 498 Ca -0.12 -0.83 0.27 0.00 -0.50 0.00 0.00 54.79 53.61 3mka n ASP 498 Cb 0.50 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.20 3mka n ASP 498 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mka h ALA 499 N 1.00 2.71 -0.11 2.12 0.00 -1.94 0.11 119.26 123.15 3mka h ALA 499 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mka h ALA 499 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mka h ALA 499 CO 0.00 -1.02 0.00 -0.25 0.00 0.00 0.00 179.25 177.98 3mka n ASP 500 N -4.15 0.68 0.00 0.00 8.00 -1.26 -5.03 116.55 114.79 3mka n ASP 500 Ca 0.16 -1.82 0.00 0.00 0.71 0.00 0.00 54.79 53.84 3mka n ASP 500 Cb 0.90 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 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 0.79 0.72 3.69 0.44 0.00 0.39 -5.00 105.19 106.22 3mka n GLY 501 Ca 0.08 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 3mka n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mka s ALA 502 N -1.27 3.45 0.02 4.61 0.00 0.04 -3.01 121.76 125.60 3mka s ALA 502 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.92 3mka s ALA 502 Cb 0.00 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 3mka s ALA 502 CO 0.00 -0.32 -0.08 0.14 0.00 0.00 0.00 175.76 175.50 3mka s VAL 503 N 1.35 0.61 0.17 0.00 -7.23 0.39 -4.96 120.40 110.73 3mka s VAL 503 Ca 0.33 -0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 59.51 3mka s VAL 503 Cb -0.17 -0.58 -0.08 0.00 0.56 0.00 0.00 36.38 36.11 3mka s VAL 503 CO 0.14 -0.08 1.32 -1.81 -0.31 0.00 0.00 175.10 174.36 3mka s ASP 504 N -0.84 6.90 0.25 4.85 1.01 -1.26 -1.19 116.67 126.38 3mka s ASP 504 Ca -0.02 2.35 -0.30 0.00 0.71 0.00 0.00 52.55 55.29 3mka s ASP 504 Cb -0.06 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.18 3mka s ASP 504 CO 0.00 -0.55 1.02 -0.69 0.21 0.00 0.00 175.17 175.16 3mka s VAL 505 N 0.41 3.82 0.35 -1.27 1.01 -0.44 -4.91 120.40 119.38 3mka s VAL 505 Ca 0.59 1.82 -0.26 0.00 0.00 0.00 0.00 61.98 64.12 3mka s VAL 505 Cb -0.36 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 31.77 3mka s VAL 505 CO 0.36 0.42 1.08 -2.16 0.00 0.00 0.00 175.10 174.80 3mka s PRO 506 N -1.23 4.34 0.15 2.72 0.04 -1.26 -4.69 135.00 135.07 3mka s PRO 506 Ca 0.43 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 3mka s PRO 506 Cb -0.29 -2.82 -0.00 0.00 0.04 0.00 0.00 34.50 31.43 3mka s PRO 506 CO 0.36 -0.02 1.59 1.49 0.04 0.00 0.00 177.00 180.47 3mka h GLU 507 N 3.05 -0.36 -1.05 4.56 4.81 -1.95 -0.45 114.58 123.20 3mka h GLU 507 Ca -0.48 0.02 0.37 0.00 -0.13 0.00 0.00 59.36 59.15 3mka h GLU 507 Cb 1.22 0.08 -0.15 0.00 0.63 0.00 0.00 28.75 30.52 3mka h GLU 507 CO 0.64 -0.24 0.61 0.66 -0.73 0.00 0.00 179.01 179.95 3mka h SER 508 N -0.37 0.41 1.26 1.04 4.64 -1.99 1.12 113.55 119.65 3mka h SER 508 Ca 0.12 0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.60 3mka h SER 508 Cb 0.57 0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3mka h SER 508 CO -0.45 -0.24 -0.21 -0.09 -0.87 0.00 0.00 176.83 174.98 3mka h ARG 509 N 0.18 0.00 0.11 4.77 9.65 -1.46 -3.07 114.38 124.57 3mka h ARG 509 Ca 0.78 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 59.37 3mka h ARG 509 Cb 2.00 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.57 3mka h ARG 509 CO -0.62 0.21 -1.47 0.82 2.80 0.00 0.00 179.97 181.70 3mka h ILE 510 N 0.00 1.21 0.00 1.20 2.04 0.14 -3.08 117.51 119.03 3mka h ILE 510 Ca -0.00 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.00 3mka h ILE 510 Cb 0.90 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.75 3mka h ILE 510 CO 0.03 0.82 0.00 0.00 0.00 0.00 0.00 178.15 179.00 3mka n ALA 511 N -2.63 1.69 0.05 1.87 0.00 -0.88 -0.87 120.51 119.74 3mka n ALA 511 Ca -0.15 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.12 3mka n ALA 511 Cb 1.04 -1.34 -0.15 0.00 0.00 0.00 0.00 19.45 19.00 3mka n ALA 511 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3mka h GLU 512 N 0.00 0.31 -0.41 0.00 4.81 -1.53 -2.98 114.58 114.77 3mka h GLU 512 Ca 0.00 -0.53 -0.12 0.00 -0.13 0.00 0.00 59.36 58.58 3mka h GLU 512 Cb 0.34 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3mka h GLU 512 CO 0.00 1.25 -0.23 -0.07 -0.73 0.00 0.00 179.01 179.24 3mka h LEU 513 N -0.30 0.85 0.04 1.64 -0.00 -1.20 -2.61 115.31 113.73 3mka h LEU 513 Ca -0.20 -0.31 -0.00 0.00 -0.00 0.00 0.00 57.88 57.36 3mka h LEU 513 Cb 1.73 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 3mka h LEU 513 CO 0.14 1.05 -0.02 0.00 -0.00 0.00 0.00 178.44 179.60 3mka h ALA 514 N 1.02 -0.05 -0.83 1.53 0.00 -1.10 -2.33 119.26 117.49 3mka h ALA 514 Ca 0.10 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.02 3mka h ALA 514 Cb 0.76 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 3mka h ALA 514 CO 0.06 -0.39 0.38 0.00 0.00 0.00 0.00 179.25 179.31 3mka h ARG 515 N -0.34 0.51 -0.30 0.00 3.08 -1.52 0.18 114.38 115.99 3mka h ARG 515 Ca -0.01 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3mka h ARG 515 Cb 0.31 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3mka h ARG 515 CO 0.01 0.33 -0.07 0.00 -1.07 0.00 0.00 179.97 179.17 3mka h ALA 516 N 1.58 1.34 -0.11 0.04 0.00 -1.28 0.38 119.26 121.21 3mka h ALA 516 Ca 0.47 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3mka h ALA 516 Cb 0.72 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3mka h ALA 516 CO -0.41 0.45 -0.14 0.82 0.00 0.00 0.00 179.25 179.97 3mka h ILE 517 N 0.45 1.37 -0.55 0.00 2.04 -0.27 -0.74 117.51 119.81 3mka h ILE 517 Ca 0.09 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.56 3mka h ILE 517 Cb 0.40 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3mka h ILE 517 CO 0.02 0.39 0.13 0.40 0.00 0.00 0.00 178.15 179.08 3mka h ILE 518 N -0.11 1.25 -0.72 -0.67 2.04 -0.49 0.17 117.51 118.97 3mka h ILE 518 Ca 0.01 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 3mka h ILE 518 Cb 0.68 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 3mka h ILE 518 CO 0.03 0.33 0.33 -0.08 0.00 0.00 0.00 178.15 178.76 3mka h GLU 519 N 0.78 1.04 -0.55 2.37 4.81 -0.22 -1.93 114.58 120.88 3mka h GLU 519 Ca 0.17 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3mka h GLU 519 Cb 0.35 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3mka h GLU 519 CO 0.00 0.83 -0.05 1.03 -0.73 0.00 0.00 179.01 180.10 3mka h SER 520 N 1.01 0.97 -0.52 1.04 0.87 -0.82 -3.12 113.55 112.97 3mka h SER 520 Ca 0.25 -0.29 -0.09 0.00 -1.23 0.00 0.00 61.79 60.43 3mka h SER 520 Cb 0.14 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 3mka h SER 520 CO -0.03 1.05 -0.01 0.03 -0.53 0.00 0.00 176.83 177.34 3mka h ARG 521 N 0.89 0.96 -0.42 2.24 2.47 -0.18 -2.79 114.38 117.55 3mka h ARG 521 Ca 0.15 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 3mka h ARG 521 Cb 0.59 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 3mka h ARG 521 CO 0.04 0.96 0.00 -1.13 0.56 0.00 0.00 179.97 180.39 3mka n SER 522 N -4.18 2.06 -0.95 7.04 3.41 -0.77 -5.09 113.62 115.14 3mka n SER 522 Ca 0.03 -2.07 0.12 0.00 -0.26 0.00 0.00 58.87 56.69 3mka n SER 522 Cb 0.34 -0.29 0.11 0.00 -0.26 0.00 0.00 64.21 64.11 3mka n SER 522 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49