#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s ASP -37 N 0.00 6.88 0.00 4.52 -1.08 -1.26 -4.93 116.67 120.80 3mka s ASP -37 Ca 0.00 1.05 0.12 0.00 -0.52 0.00 0.00 52.55 53.20 3mka s ASP -37 Cb 0.00 -2.31 0.12 0.00 -1.46 0.00 0.00 42.92 39.27 3mka s ASP -37 CO 0.00 0.20 0.93 0.18 0.52 0.00 0.00 175.17 177.00 3mka n LEU -36 N 2.35 2.13 -2.59 -1.34 4.77 -1.26 -4.97 117.00 116.09 3mka n LEU -36 Ca -0.10 -1.09 -0.21 0.00 -0.03 0.00 0.00 56.01 54.58 3mka n LEU -36 Cb 0.51 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3mka n LEU -36 CO 0.41 0.41 -0.12 -1.20 -1.33 0.00 0.00 177.39 175.56 3mka n SER -35 N 0.70 -5.83 -4.60 -1.43 7.64 -1.26 -4.97 113.62 103.87 3mka n SER -35 Ca 0.08 -0.16 -0.37 0.00 1.01 0.00 0.00 58.87 59.43 3mka n SER -35 Cb 0.32 -4.74 -0.11 0.00 -1.01 0.00 0.00 64.21 58.67 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 -2.43 5.95 0.50 6.43 0.15 -1.26 -4.24 113.70 118.80 3mka s SER -34 Ca 0.16 0.01 0.25 0.00 0.70 0.00 0.00 55.95 57.06 3mka s SER -34 Cb -0.07 -2.09 1.32 0.00 -1.71 0.00 0.00 66.02 63.47 3mka s SER -34 CO 0.19 -0.01 1.91 0.15 1.20 0.00 0.00 173.24 176.68 3mka h PHE -33 N 8.10 0.18 0.16 3.44 3.57 -1.91 -1.56 116.94 128.92 3mka h PHE -33 Ca -0.36 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.14 3mka h PHE -33 Cb 1.18 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.87 3mka h PHE -33 CO 0.72 0.05 -0.08 1.15 -2.23 0.00 0.00 178.31 177.93 3mka h THR -32 N 0.14 0.90 -0.66 4.41 2.02 -1.94 -2.55 112.91 115.24 3mka h THR -32 Ca 0.38 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.50 3mka h THR -32 Cb 1.30 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 3mka h THR -32 CO -0.06 0.22 0.44 -0.78 0.37 0.00 0.00 175.52 175.71 3mka h ASP -31 N -0.81 0.74 -0.39 4.18 -0.00 -1.87 0.90 116.42 119.17 3mka h ASP -31 Ca -0.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 57.03 56.97 3mka h ASP -31 Cb 0.53 -0.18 -0.02 0.00 -0.00 0.00 0.00 39.33 39.66 3mka h ASP -31 CO 0.04 0.53 0.17 0.15 -0.00 0.00 0.00 179.24 180.12 3mka h PHE -30 N 0.87 0.58 -0.68 0.28 3.57 -1.33 -1.58 116.94 118.64 3mka h PHE -30 Ca 0.25 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 3mka h PHE -30 Cb -0.05 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 3mka h PHE -30 CO -0.00 0.50 0.24 -0.07 -2.23 0.00 0.00 178.31 176.76 3mka h LEU -29 N 0.49 0.97 -0.46 0.59 3.38 -0.79 0.46 115.31 119.95 3mka h LEU -29 Ca 0.13 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3mka h LEU -29 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3mka h LEU -29 CO -0.01 0.90 0.27 -0.09 0.09 0.00 0.00 178.44 179.60 3mka h ARG -28 N 0.99 0.52 -0.29 1.13 2.43 -0.50 0.26 114.38 118.91 3mka h ARG -28 Ca 0.22 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 3mka h ARG -28 Cb 0.26 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3mka h ARG -28 CO -0.01 0.35 -0.11 0.00 -1.51 0.00 0.00 179.97 178.68 3mka h ARG -27 N 0.54 0.59 0.00 0.20 3.08 -0.71 -3.37 114.38 114.71 3mka h ARG -27 Ca 0.18 -0.24 -0.38 0.00 0.07 0.00 0.00 59.98 59.61 3mka h ARG -27 Cb 0.02 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 3mka h ARG -27 CO -0.09 0.81 -2.43 1.04 -1.07 0.00 0.00 179.97 178.23 3mka n GLN -26 N -4.45 0.63 -3.30 0.04 1.13 0.16 -4.82 117.38 106.77 3mka n GLN -26 Ca -0.03 0.14 -0.25 0.00 -1.94 0.00 0.00 57.00 54.92 3mka n GLN -26 Cb 0.35 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.12 3mka n GLN -26 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mka n ALA -25 N -3.23 2.94 0.01 -1.58 0.00 0.85 -4.98 120.51 114.52 3mka n ALA -25 Ca -0.44 -3.78 0.03 0.00 0.00 0.00 0.00 53.44 49.25 3mka n ALA -25 Cb 0.97 -0.84 0.40 0.00 0.00 0.00 0.00 19.45 19.98 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 4.26 0.52 -0.02 0.00 0.11 -1.61 -2.82 132.00 132.45 3mka h PRO -24 Ca 0.13 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.19 3mka h PRO -24 Cb 0.82 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 3mka h PRO -24 CO 0.56 0.40 0.02 1.49 -0.21 0.00 0.00 178.00 180.26 3mka h GLU -23 N 0.53 0.00 0.00 1.05 4.57 -1.93 -1.17 114.58 117.62 3mka h GLU -23 Ca 0.14 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 3mka h GLU -23 Cb 0.03 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3mka h GLU -23 CO -0.02 0.00 -0.16 -0.07 -1.18 0.00 0.00 179.01 177.58 3mka h LEU -22 N 0.00 0.00-10.09 1.64 4.07 -1.88 -3.45 115.31 105.61 3mka h LEU -22 Ca 0.01 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.46 3mka h LEU -22 Cb 0.05 0.00 0.09 0.00 1.08 0.00 0.00 40.66 41.87 3mka h LEU -22 CO -0.00 0.16 0.45 -0.76 -1.08 0.00 0.00 178.44 177.21 3mka s LEU -21 N -6.80 3.73 0.20 1.67 1.43 -0.45 -4.93 118.68 113.53 3mka s LEU -21 Ca -0.00 2.27 -0.09 0.00 -1.03 0.00 0.00 54.13 55.27 3mka s LEU -21 Cb 0.11 -4.57 0.13 0.00 0.03 0.00 0.00 46.19 41.89 3mka s LEU -21 CO 0.60 -1.35 1.77 1.55 0.23 0.00 0.00 176.35 179.16 3mka h PRO -20 N 1.13 1.09 -4.92 1.29 0.13 -1.87 -3.51 132.00 125.33 3mka h PRO -20 Ca -0.50 -0.19 -0.69 0.00 -0.87 0.00 0.00 66.00 63.75 3mka h PRO -20 Cb 1.28 -0.18 -0.18 0.00 0.13 0.00 0.00 31.00 32.04 3mka h PRO -20 CO 0.56 0.88 0.64 0.00 -0.23 0.00 0.00 178.00 179.85 3mka s ALA -19 N -5.60 3.42 -0.13 -0.56 0.00 -1.26 -5.18 121.76 112.44 3mka s ALA -19 Ca -0.13 -2.65 -0.09 0.00 0.00 0.00 0.00 51.96 49.09 3mka s ALA -19 Cb 0.15 -3.91 0.04 0.00 0.00 0.00 0.00 23.12 19.39 3mka s ALA -19 CO 0.82 -2.81 0.19 -2.30 0.00 0.00 0.00 175.76 171.65 3mka n PRO -3 N 6.40 -4.00 -3.87 0.00 -0.02 -1.26 -5.09 135.00 127.15 3mka n PRO -3 Ca 0.16 3.04 -0.09 0.00 -2.02 0.00 0.00 63.50 64.59 3mka n PRO -3 Cb 0.48 -4.20 -0.06 0.00 -0.02 0.00 0.00 33.50 29.69 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 -0.53 0.21 0.00 6.00 -3.43 -1.01 -3.81 115.29 112.73 3mka s HIS -2 Ca -0.22 -0.58 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 3mka s HIS -2 Cb 0.01 0.04 0.00 0.00 -1.43 0.00 0.00 32.58 31.20 3mka s HIS -2 CO 0.58 -0.70 0.00 0.41 -2.00 0.00 0.00 174.74 173.03 3mka n GLY -1 N -0.19 0.92 3.57 -1.38 0.00 -1.26 -3.43 105.19 103.41 3mka n GLY -1 Ca -0.10 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.51 -0.08 4.61 0.00 -1.26 -4.46 121.76 119.05 3mka s ALA 301 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.28 3mka s ALA 301 Cb 0.00 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.95 3mka s ALA 301 CO 0.00 -0.85 -0.19 0.99 0.00 0.00 0.00 175.76 175.71 3mka s THR 302 N -3.73 1.65 -0.06 0.00 2.01 -1.26 -1.71 115.64 112.54 3mka s THR 302 Ca 0.05 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.29 3mka s THR 302 Cb -0.02 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 71.04 3mka s THR 302 CO -0.06 0.47 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.56 3mka s ILE 303 N 0.46 1.28 0.20 1.82 1.01 0.19 -2.52 121.20 123.64 3mka s ILE 303 Ca -0.17 -0.60 0.09 0.00 0.00 0.00 0.00 60.65 59.98 3mka s ILE 303 Cb -0.17 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3mka s ILE 303 CO 0.07 0.38 -0.18 0.68 0.00 0.00 0.00 174.94 175.88 3mka s VAL 304 N 0.36 1.98 -0.14 2.92 -7.23 0.07 -0.96 120.40 117.40 3mka s VAL 304 Ca -0.10 -2.11 -0.11 0.00 -1.81 0.00 0.00 61.98 57.85 3mka s VAL 304 Cb -0.14 -2.02 0.04 0.00 0.56 0.00 0.00 36.38 34.83 3mka s VAL 304 CO 0.03 -0.39 0.36 0.00 -0.31 0.00 0.00 175.10 174.80 3mka s ALA 305 N -2.35 -0.90 0.05 1.32 0.00 -0.65 -0.99 121.76 118.24 3mka s ALA 305 Ca 0.21 1.14 -0.05 0.00 0.00 0.00 0.00 51.96 53.26 3mka s ALA 305 Cb -0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 3mka s ALA 305 CO 0.09 -0.20 0.09 -0.48 0.00 0.00 0.00 175.76 175.26 3mka s LEU 306 N 0.57 1.88 -0.18 0.00 0.05 -0.39 -1.29 118.68 119.33 3mka s LEU 306 Ca -0.03 -0.66 -0.08 0.00 0.05 0.00 0.00 54.13 53.41 3mka s LEU 306 Cb -0.05 0.60 -0.04 0.00 -2.05 0.00 0.00 46.19 44.64 3mka s LEU 306 CO -0.03 -0.57 0.10 -0.54 -0.55 0.00 0.00 176.35 174.75 3mka s LYS 307 N -3.13 3.97 0.24 1.48 1.02 -0.09 -1.02 119.74 122.21 3mka s LYS 307 Ca -0.00 -0.27 0.11 0.00 0.02 0.00 0.00 55.97 55.83 3mka s LYS 307 Cb 0.02 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 3mka s LYS 307 CO -0.07 0.36 -0.20 1.52 -0.92 0.00 0.00 175.35 176.04 3mka s TYR 308 N 0.16 2.14 0.14 3.18 -0.85 -0.51 -4.97 117.35 116.64 3mka s TYR 308 Ca 0.07 -0.39 -0.33 0.00 -0.52 0.00 0.00 57.07 55.90 3mka s TYR 308 Cb -0.12 -0.98 -0.12 0.00 0.38 0.00 0.00 41.96 41.12 3mka s TYR 308 CO -0.00 0.57 1.73 -2.30 -1.52 0.00 0.00 175.55 174.03 3mka n PRO 309 N -0.30 2.54 -1.16 -3.49 -0.02 -1.26 -0.13 135.00 131.18 3mka n PRO 309 Ca -0.08 0.92 -0.06 0.00 -2.02 0.00 0.00 63.50 62.27 3mka n PRO 309 Cb 0.59 -2.76 -0.02 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 3.93 0.75 3.80 -1.23 0.00 0.75 -4.86 105.19 108.34 3mka n GLY 310 Ca 0.18 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.48 0.07 -0.09 -0.02 0.00 0.82 -4.06 107.32 101.55 3mka s GLY 311 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 44.72 44.13 3mka s GLY 311 CO 0.00 -0.21 0.36 0.54 0.00 0.00 0.00 173.10 173.78 3mka s VAL 312 N -3.86 0.02 0.06 1.40 0.11 -0.25 -1.43 120.40 116.46 3mka s VAL 312 Ca 0.14 -0.17 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 3mka s VAL 312 Cb -0.05 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 3mka s VAL 312 CO 0.08 -0.09 -0.13 0.54 -3.33 0.00 0.00 175.10 172.17 3mka s VAL 313 N -0.39 0.98 -0.04 2.04 0.11 -0.18 -0.49 120.40 122.43 3mka s VAL 313 Ca -0.05 -1.17 -0.03 0.00 -2.93 0.00 0.00 61.98 57.80 3mka s VAL 313 Cb -0.03 -0.95 0.02 0.00 -1.53 0.00 0.00 36.38 33.89 3mka s VAL 313 CO 0.02 -0.20 0.11 -0.32 -3.33 0.00 0.00 175.10 171.38 3mka s MET 314 N -1.53 0.11 0.03 1.54 1.75 -0.34 -1.26 119.30 119.59 3mka s MET 314 Ca -0.03 0.19 -0.09 0.00 -1.25 0.00 0.00 55.69 54.51 3mka s MET 314 Cb -0.09 -0.00 0.00 0.00 2.84 0.00 0.00 34.83 37.58 3mka s MET 314 CO 0.02 -0.05 0.19 0.00 -0.65 0.00 0.00 175.02 174.52 3mka s ALA 315 N 0.32 -0.36 0.05 4.11 0.00 -0.16 -0.89 121.76 124.82 3mka s ALA 315 Ca -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 3mka s ALA 315 Cb -0.03 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 3mka s ALA 315 CO -0.01 -0.34 0.04 0.20 0.00 0.00 0.00 175.76 175.65 3mka s GLY 316 N -1.98 0.30 0.91 0.00 0.00 -0.71 -0.75 107.32 105.10 3mka s GLY 316 Ca -0.06 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 43.65 3mka s GLY 316 CO -0.03 -1.00 1.26 0.51 0.00 0.00 0.00 173.10 173.84 3mka s ASP 317 N -2.57 3.39 0.00 1.64 1.47 -1.05 -1.96 116.67 117.60 3mka s ASP 317 Ca 0.01 0.20 0.07 0.00 1.18 0.00 0.00 52.55 54.01 3mka s ASP 317 Cb 0.03 -0.32 0.11 0.00 -0.34 0.00 0.00 42.92 42.40 3mka s ASP 317 CO -0.08 -2.55 0.89 0.54 0.68 0.00 0.00 175.17 174.65 3mka n ARG 318 N -3.59 1.10 -3.22 2.11 5.12 -1.26 -4.59 116.66 112.33 3mka n ARG 318 Ca 0.15 -1.27 -0.34 0.00 -1.93 0.00 0.00 57.85 54.45 3mka n ARG 318 Cb 0.60 -1.15 -0.06 0.00 -1.16 0.00 0.00 32.46 30.69 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 -0.74 4.04 -0.04 5.56 3.52 -1.26 -2.15 118.95 127.88 3mka s ARG 319 Ca 0.11 0.63 0.01 0.00 -0.13 0.00 0.00 55.73 56.35 3mka s ARG 319 Cb 0.07 -2.71 0.02 0.00 -1.56 0.00 0.00 34.95 30.76 3mka s ARG 319 CO 0.09 0.32 -0.06 0.45 -0.81 0.00 0.00 175.30 175.30 3mka s SER 320 N -1.98 1.03 0.13 -2.12 0.15 0.27 -4.60 113.70 106.59 3mka s SER 320 Ca 0.46 -0.15 0.07 0.00 0.70 0.00 0.00 55.95 57.03 3mka s SER 320 Cb -0.13 -0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 63.70 3mka s SER 320 CO 0.19 -0.02 -0.16 0.42 1.20 0.00 0.00 173.24 174.88 3mka s THR 321 N 0.69 1.54 -0.34 6.45 -4.23 -1.22 0.17 115.64 118.69 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 -1.63 0.11 0.00 1.34 0.00 0.00 72.50 72.19 3mka s THR 321 CO 0.01 -0.34 0.11 -1.10 -0.54 0.00 0.00 174.62 172.76 3mka s GLN 322 N -2.60 0.97 6.93 3.99 -0.21 0.48 -2.39 119.66 126.82 3mka s GLN 322 Ca 0.11 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.08 3mka s GLN 322 Cb -0.06 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.65 3mka s GLN 322 CO 0.04 -1.01 0.00 0.41 -2.12 0.00 0.00 175.29 172.61 3mka n GLY 323 N 4.49 1.73 0.02 3.09 0.00 -1.26 -2.00 105.19 111.26 3mka n GLY 323 Ca 0.01 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.70 3mka n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mka n ASN 324 N 6.71 0.64 -4.77 1.61 3.02 -1.26 -4.91 115.26 116.30 3mka n ASN 324 Ca 0.00 -0.31 -0.39 0.00 -0.03 0.00 0.00 54.58 53.85 3mka n ASN 324 Cb 0.00 0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 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 -3.09 4.68 -0.38 3.52 -1.94 -0.85 -5.00 119.30 116.24 3mka s MET 325 Ca 0.07 1.33 -0.26 0.00 -1.71 0.00 0.00 55.69 55.12 3mka s MET 325 Cb 0.16 -3.11 0.02 0.00 2.01 0.00 0.00 34.83 33.91 3mka s MET 325 CO 0.77 0.45 0.95 0.42 -0.01 0.00 0.00 175.02 177.60 3mka s ILE 326 N -1.33 4.54 -0.10 2.53 1.01 -1.26 -0.39 121.20 126.21 3mka s ILE 326 Ca 0.43 1.20 0.15 0.00 0.00 0.00 0.00 60.65 62.43 3mka s ILE 326 Cb -0.23 -4.37 -0.22 0.00 0.01 0.00 0.00 42.46 37.66 3mka s ILE 326 CO 0.28 -0.59 0.55 -1.54 0.00 0.00 0.00 174.94 173.63 3mka n SER 327 N 6.89 0.62 -3.86 3.58 3.41 0.13 -4.92 113.62 119.48 3mka n SER 327 Ca 0.08 0.29 -0.11 0.00 -0.26 0.00 0.00 58.87 58.86 3mka n SER 327 Cb 0.48 0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 64.65 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 -5.10 -0.00 0.00 5.00 0.00 -0.62 -4.94 107.32 101.65 3mka s GLY 328 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.72 3mka s GLY 328 CO 0.83 -0.03 0.45 -0.96 0.00 0.00 0.00 173.10 173.38 3mka n ARG 329 N 2.20 -0.45 0.00 2.90 1.85 -1.25 -0.57 116.66 121.34 3mka n ARG 329 Ca -0.18 -0.49 0.00 0.00 -1.00 0.00 0.00 57.85 56.18 3mka n ARG 329 Cb 0.57 -0.89 0.00 0.00 -1.05 0.00 0.00 32.46 31.09 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 -0.04 0.97 -4.60 2.89 5.75 -1.14 -4.61 116.55 115.76 3mka n ASP 330 Ca 0.00 -1.05 -0.54 0.00 -0.01 0.00 0.00 54.79 53.19 3mka n ASP 330 Cb 0.08 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.10 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 0.05 -3.81 2.12 0.31 -0.91 -4.97 118.33 111.09 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 0.03 -0.76 -0.08 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 0.97 3.91 0.00 5.55 3.52 -1.26 -4.27 118.95 127.36 3mka s ARG 332 Ca 0.88 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 56.28 3mka s ARG 332 Cb -1.03 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.04 3mka s ARG 332 CO 0.52 0.46 0.21 1.63 -0.81 0.00 0.00 175.30 177.31 3mka n LYS 333 N 3.00 1.53 -4.61 5.12 5.02 -1.26 -4.70 118.16 122.26 3mka n LYS 333 Ca -0.17 -0.21 -0.33 0.00 -2.02 0.00 0.00 58.31 55.58 3mka n LYS 333 Cb 0.53 -0.65 -0.15 0.00 -0.02 0.00 0.00 35.03 34.74 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 -0.28 2.72 -0.02 -0.18 1.01 -1.26 -2.97 120.40 119.42 3mka s VAL 334 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.24 3mka s VAL 334 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.24 3mka s VAL 334 CO 0.00 0.52 -0.07 -0.31 0.00 0.00 0.00 175.10 175.23 3mka s TYR 335 N 0.70 0.76 -0.02 5.22 2.02 -1.01 -4.98 117.35 120.05 3mka s TYR 335 Ca -0.07 -0.17 -0.30 0.00 -0.37 0.00 0.00 57.07 56.16 3mka s TYR 335 Cb -0.16 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 3mka s TYR 335 CO 0.02 -0.07 1.27 0.42 -1.57 0.00 0.00 175.55 175.62 3mka s ILE 336 N 0.14 4.03 -0.91 2.71 1.01 -1.26 -1.23 121.20 125.68 3mka s ILE 336 Ca -0.02 1.39 0.15 0.00 0.00 0.00 0.00 60.65 62.17 3mka s ILE 336 Cb -0.07 -3.89 -0.12 0.00 0.01 0.00 0.00 42.46 38.39 3mka s ILE 336 CO 0.00 0.01 0.69 0.35 0.00 0.00 0.00 174.94 175.99 3mka n THR 337 N 4.57 0.00 -3.87 2.92 -2.24 -0.05 -4.93 114.28 110.68 3mka n THR 337 Ca 0.12 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3mka n THR 337 Cb 0.45 1.05 0.01 0.00 -2.10 0.00 0.00 70.33 69.74 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 -2.24 -0.02 0.64 3.42 1.47 -1.21 -4.54 116.67 114.19 3mka s ASP 338 Ca 0.08 -0.35 0.37 0.00 1.18 0.00 0.00 52.55 53.83 3mka s ASP 338 Cb 0.12 0.28 2.12 0.00 -0.34 0.00 0.00 42.92 45.10 3mka s ASP 338 CO 0.55 -0.56 2.28 0.44 0.68 0.00 0.00 175.17 178.56 3mka h ASP 339 N 2.00 0.00 0.00 2.11 3.32 -1.96 -3.06 116.42 118.83 3mka h ASP 339 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3mka h ASP 339 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3mka h ASP 339 CO 0.32 0.00 -0.09 -1.22 -1.72 0.00 0.00 179.24 176.52 3mka n TYR 340 N -3.39 0.00 -3.85 4.55 4.01 -1.26 -0.99 117.16 116.23 3mka n TYR 340 Ca -0.03 -0.61 -0.09 0.00 -0.16 0.00 0.00 57.90 57.02 3mka n TYR 340 Cb 0.12 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.65 0.14 0.03 -0.72 -4.23 -1.16 -1.05 115.64 107.00 3mka s THR 341 Ca 0.16 -1.12 -0.07 0.00 -1.18 0.00 0.00 61.69 59.47 3mka s THR 341 Cb 0.14 -1.27 -0.00 0.00 1.34 0.00 0.00 72.50 72.71 3mka s THR 341 CO 0.01 -0.62 0.13 0.00 -0.54 0.00 0.00 174.62 173.61 3mka s ALA 342 N -3.65 -0.21 0.01 3.99 0.00 0.10 -0.87 121.76 121.13 3mka s ALA 342 Ca 0.03 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.65 3mka s ALA 342 Cb 0.04 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 3mka s ALA 342 CO -0.10 -0.31 -0.13 0.95 0.00 0.00 0.00 175.76 176.17 3mka s THR 343 N -2.36 1.06 -0.12 0.00 -4.23 -0.37 -1.52 115.64 108.11 3mka s THR 343 Ca -0.07 -0.75 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 3mka s THR 343 Cb -0.02 -0.92 0.01 0.00 1.34 0.00 0.00 72.50 72.90 3mka s THR 343 CO -0.03 0.16 -0.20 -0.83 -0.54 0.00 0.00 174.62 173.18 3mka s GLY 344 N -0.67 1.24 -0.11 3.99 0.00 0.92 -2.39 107.32 110.29 3mka s GLY 344 Ca 0.03 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.85 3mka s GLY 344 CO 0.00 -0.03 -0.21 -0.42 0.00 0.00 0.00 173.10 172.44 3mka s ILE 345 N 0.72 2.31 -0.16 0.90 1.09 -1.16 0.88 121.20 125.79 3mka s ILE 345 Ca -0.10 -0.93 -0.29 0.00 -1.10 0.00 0.00 60.65 58.22 3mka s ILE 345 Cb -0.16 -1.91 -0.01 0.00 -1.06 0.00 0.00 42.46 39.33 3mka s ILE 345 CO 0.01 0.55 1.11 0.00 -0.10 0.00 0.00 174.94 176.51 3mka s ALA 346 N 0.38 3.58 0.00 9.38 0.00 -1.15 -4.74 121.76 129.20 3mka s ALA 346 Ca -0.16 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3mka s ALA 346 Cb -0.17 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3mka s ALA 346 CO 0.07 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.33 3mka n GLY 347 N 3.33 1.02 3.76 0.00 0.00 -1.26 -4.60 105.19 107.44 3mka n GLY 347 Ca 0.11 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 3mka n GLY 347 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mka s THR 348 N 0.00 2.38 0.11 2.61 2.01 -1.25 -4.66 115.64 116.84 3mka s THR 348 Ca 0.00 0.34 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 3mka s THR 348 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 3mka s THR 348 CO 0.00 0.07 1.63 0.00 -0.69 0.00 0.00 174.62 175.63 3mka h ALA 349 N 4.22 0.41 -0.32 7.40 0.00 -1.89 -1.15 119.26 127.94 3mka h ALA 349 Ca -0.48 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 3mka h ALA 349 Cb 1.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3mka h ALA 349 CO 0.73 0.05 -0.06 0.00 0.00 0.00 0.00 179.25 179.96 3mka h ALA 350 N 0.94 0.44 -0.64 0.00 0.00 -1.93 -3.07 119.26 115.00 3mka h ALA 350 Ca 0.10 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3mka h ALA 350 Cb 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3mka h ALA 350 CO -0.00 0.26 0.11 0.28 0.00 0.00 0.00 179.25 179.90 3mka h VAL 351 N 0.39 1.26 -0.50 0.00 2.07 -1.93 0.73 116.25 118.27 3mka h VAL 351 Ca 0.08 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 3mka h VAL 351 Cb 0.54 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3mka h VAL 351 CO 0.03 0.38 0.20 0.00 0.02 0.00 0.00 177.57 178.19 3mka h ALA 352 N 1.04 0.64 -0.70 1.67 0.00 -1.28 -0.99 119.26 119.65 3mka h ALA 352 Ca 0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3mka h ALA 352 Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3mka h ALA 352 CO 0.01 0.26 0.21 -0.24 0.00 0.00 0.00 179.25 179.48 3mka h VAL 353 N 0.66 1.26 -0.21 0.00 3.04 -1.39 -2.51 116.25 117.09 3mka h VAL 353 Ca 0.16 -0.90 -0.03 0.00 -1.01 0.00 0.00 66.70 64.93 3mka h VAL 353 Cb 0.20 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 29.99 3mka h VAL 353 CO -0.01 0.35 0.03 -0.08 -1.01 0.00 0.00 177.57 176.85 3mka h GLU 354 N 1.03 0.36 -0.49 4.17 4.81 -0.24 0.21 114.58 124.42 3mka h GLU 354 Ca 0.22 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 3mka h GLU 354 Cb 0.31 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3mka h GLU 354 CO -0.01 0.51 -0.17 0.74 -0.73 0.00 0.00 179.01 179.35 3mka h PHE 355 N 0.15 1.10 -0.53 0.92 -1.00 -1.25 -0.04 116.94 116.29 3mka h PHE 355 Ca 0.06 -0.25 -0.02 0.00 2.81 0.00 0.00 57.97 60.58 3mka h PHE 355 Cb 0.33 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 3mka h PHE 355 CO 0.02 1.06 0.24 0.00 -1.61 0.00 0.00 178.31 178.02 3mka h ALA 356 N 0.94 0.68 -0.27 2.45 0.00 -1.39 0.11 119.26 121.79 3mka h ALA 356 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3mka h ALA 356 Cb 0.74 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3mka h ALA 356 CO 0.06 0.26 0.09 -0.09 0.00 0.00 0.00 179.25 179.56 3mka h ARG 357 N 0.71 0.42 -0.32 0.00 2.43 -0.66 0.55 114.38 117.51 3mka h ARG 357 Ca 0.18 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3mka h ARG 357 Cb 0.14 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3mka h ARG 357 CO -0.02 0.48 0.06 1.25 -1.51 0.00 0.00 179.97 180.23 3mka h LEU 358 N 0.27 0.50 -0.62 3.80 5.85 -0.79 -0.46 115.31 123.86 3mka h LEU 358 Ca 0.09 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 3mka h LEU 358 Cb 0.23 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3mka h LEU 358 CO -0.00 0.62 0.16 0.22 -0.34 0.00 0.00 178.44 179.10 3mka h TYR 359 N 0.36 1.04 -0.33 1.25 3.20 -0.61 0.11 116.97 121.99 3mka h TYR 359 Ca 0.10 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 3mka h TYR 359 Cb 0.33 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3mka h TYR 359 CO 0.02 0.87 -0.26 0.00 -1.64 0.00 0.00 178.16 177.15 3mka h ALA 360 N 1.05 0.92 -0.32 1.82 0.00 0.32 -1.06 119.26 121.99 3mka h ALA 360 Ca 0.20 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3mka h ALA 360 Cb 0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3mka h ALA 360 CO 0.00 0.62 -0.10 0.28 0.00 0.00 0.00 179.25 180.05 3mka h VAL 361 N 0.58 1.28 -0.86 0.00 2.07 -0.68 -2.37 116.25 116.28 3mka h VAL 361 Ca 0.08 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.50 3mka h VAL 361 Cb 0.75 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 3mka h VAL 361 CO 0.06 0.37 0.56 -0.08 0.02 0.00 0.00 177.57 178.50 3mka h GLU 362 N 0.40 0.94 0.17 1.57 4.57 -0.49 -0.05 114.58 121.69 3mka h GLU 362 Ca 0.08 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3mka h GLU 362 Cb 0.60 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3mka h GLU 362 CO 0.04 0.62 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.34 3mka h LEU 363 N 0.97 -0.19 -1.85 1.64 4.07 -1.07 -2.87 115.31 116.01 3mka h LEU 363 Ca 0.37 -0.31 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 3mka h LEU 363 Cb 0.19 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 3mka h LEU 363 CO -0.13 0.24 -0.13 -0.08 -1.08 0.00 0.00 178.44 177.26 3mka h GLU 364 N -0.68 0.00 -0.19 1.13 4.81 -1.22 -2.52 114.58 115.91 3mka h GLU 364 Ca -0.02 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3mka h GLU 364 Cb 0.49 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 3mka h GLU 364 CO 0.04 0.13 -0.12 1.25 -0.73 0.00 0.00 179.01 179.57 3mka h HIS 365 N 0.00 0.49 -0.63 0.92 2.76 -0.99 -1.63 115.15 116.08 3mka h HIS 365 Ca -0.00 -0.13 -0.04 0.00 -2.20 0.00 0.00 60.37 57.99 3mka h HIS 365 Cb 0.36 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 3mka h HIS 365 CO 0.00 0.74 0.21 -0.92 -1.30 0.00 0.00 177.93 176.66 3mka h TYR 366 N 0.09 0.96 -0.71 5.26 3.20 -1.27 -1.18 116.97 123.32 3mka h TYR 366 Ca 0.04 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 3mka h TYR 366 Cb 0.63 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 3mka h TYR 366 CO 0.07 0.76 0.18 1.49 -1.64 0.00 0.00 178.16 179.03 3mka h GLU 367 N 0.92 1.13 -0.17 1.82 4.81 -1.29 0.41 114.58 122.20 3mka h GLU 367 Ca 0.21 -0.26 -0.18 0.00 -0.13 0.00 0.00 59.36 58.99 3mka h GLU 367 Cb 0.24 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3mka h GLU 367 CO -0.01 0.99 -0.63 0.87 -0.73 0.00 0.00 179.01 179.49 3mka h LYS 368 N 1.07 0.62 -0.19 1.92 1.57 -0.86 0.33 116.57 121.04 3mka h LYS 368 Ca 0.23 -0.44 -0.17 0.00 -1.87 0.00 0.00 60.65 58.39 3mka h LYS 368 Cb 0.36 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3mka h LYS 368 CO 0.00 1.06 -0.59 -0.07 -0.57 0.00 0.00 179.45 179.28 3mka h LEU 369 N 0.46 0.69 -1.79 2.94 3.38 -0.95 -3.26 115.31 116.78 3mka h LEU 369 Ca -0.01 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3mka h LEU 369 Cb 1.21 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3mka h LEU 369 CO 0.12 1.12 0.00 -0.62 0.09 0.00 0.00 178.44 179.16 3mka n GLU 370 N -3.95 1.52 -0.81 1.13 -0.58 0.11 -4.97 120.64 113.08 3mka n GLU 370 Ca -0.04 -1.60 0.00 0.00 -0.42 0.00 0.00 57.16 55.10 3mka n GLU 370 Cb 0.63 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 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 0.96 0.27 3.18 0.62 0.00 0.12 -4.94 105.19 105.40 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 -1.74 0.01 0.65 1.61 0.11 -1.18 -5.00 120.40 114.86 3mka s VAL 372 Ca 0.00 -0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 58.83 3mka s VAL 372 Cb 0.00 -0.43 -0.00 0.00 -1.53 0.00 0.00 36.38 34.42 3mka s VAL 372 CO 0.00 -0.04 1.12 -2.16 -3.33 0.00 0.00 175.10 170.69 3mka s PRO 373 N -0.03 2.80 0.58 1.54 0.04 -1.26 -4.23 135.00 134.45 3mka s PRO 373 Ca -0.02 1.45 -0.19 0.00 0.04 0.00 0.00 61.00 62.28 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 0.01 -1.26 1.20 -1.17 0.04 0.00 0.00 177.00 175.82 3mka s LEU 374 N -4.77 3.69 0.82 -3.56 2.96 -1.26 -5.01 118.68 111.55 3mka s LEU 374 Ca 0.68 2.36 -0.11 0.00 -0.22 0.00 0.00 54.13 56.84 3mka s LEU 374 Cb -0.22 -4.59 0.09 0.00 0.50 0.00 0.00 46.19 41.98 3mka s LEU 374 CO 0.40 -1.52 1.09 0.42 -1.32 0.00 0.00 176.35 175.43 3mka s THR 375 N -1.62 3.04 0.14 3.68 -4.23 -1.26 -4.75 115.64 110.65 3mka s THR 375 Ca 0.76 0.34 -0.18 0.00 -1.18 0.00 0.00 61.69 61.43 3mka s THR 375 Cb -0.29 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.72 3mka s THR 375 CO 0.32 -0.44 1.73 0.15 -0.54 0.00 0.00 174.62 175.83 3mka h PHE 376 N -1.31 0.04 -0.87 3.99 3.57 -1.98 0.19 116.94 120.58 3mka h PHE 376 Ca -0.46 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.20 3mka h PHE 376 Cb 1.25 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.95 3mka h PHE 376 CO 0.52 -0.01 0.56 0.00 -2.23 0.00 0.00 178.31 177.15 3mka h ALA 377 N 1.20 1.90 -0.27 2.41 0.00 -2.00 -0.08 119.26 122.42 3mka h ALA 377 Ca 0.12 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3mka h ALA 377 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3mka h ALA 377 CO -0.18 -0.13 -0.41 0.78 0.00 0.00 0.00 179.25 179.31 3mka h GLY 378 N 0.63 0.72 1.24 0.00 0.00 -1.38 -1.22 103.07 103.06 3mka h GLY 378 Ca 0.43 -0.73 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 3mka h GLY 378 CO -0.19 0.66 0.14 0.50 0.00 0.00 0.00 176.54 177.65 3mka h LYS 379 N 0.54 0.95 0.14 4.80 1.57 0.63 -1.95 116.57 123.24 3mka h LYS 379 Ca 0.04 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3mka h LYS 379 Cb 0.94 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3mka h LYS 379 CO 0.09 0.85 -0.07 0.82 -0.57 0.00 0.00 179.45 180.57 3mka h ILE 380 N 0.90 0.96 -0.25 1.86 2.04 -1.12 -2.18 117.51 119.72 3mka h ILE 380 Ca 0.19 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.72 3mka h ILE 380 Cb 0.34 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3mka h ILE 380 CO 0.00 0.09 0.18 -1.13 0.00 0.00 0.00 178.15 177.29 3mka h ASN 381 N -0.37 0.06 0.01 1.72 -0.73 -1.05 -0.93 115.58 114.28 3mka h ASN 381 Ca -0.02 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 57.96 3mka h ASN 381 Cb 0.30 -0.01 0.02 0.00 0.27 0.00 0.00 38.32 38.89 3mka h ASN 381 CO 0.03 0.04 -0.74 -0.09 -0.37 0.00 0.00 177.43 176.29 3mka h ARG 382 N 0.06 0.49 -0.49 6.67 9.65 -1.13 -2.81 114.38 126.83 3mka h ARG 382 Ca 0.12 -0.54 -0.02 0.00 -1.10 0.00 0.00 59.98 58.43 3mka h ARG 382 Cb 0.39 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 3mka h ARG 382 CO -0.01 1.18 0.20 1.25 2.80 0.00 0.00 179.97 185.39 3mka h LEU 383 N 0.03 0.63 -1.02 3.80 5.85 -0.70 -2.49 115.31 121.41 3mka h LEU 383 Ca -0.10 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 3mka h LEU 383 Cb 1.44 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 3mka h LEU 383 CO 0.15 0.57 0.21 0.00 -0.34 0.00 0.00 178.44 179.02 3mka h ALA 384 N 1.53 1.22 -0.27 1.25 0.00 -1.18 -0.77 119.26 121.04 3mka h ALA 384 Ca 0.17 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3mka h ALA 384 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3mka h ALA 384 CO -0.02 0.56 -0.18 0.82 0.00 0.00 0.00 179.25 180.43 3mka h ILE 385 N 0.89 1.30 -0.32 0.00 2.04 -1.18 -0.28 117.51 119.96 3mka h ILE 385 Ca 0.20 -1.31 0.02 0.00 1.00 0.00 0.00 64.86 64.78 3mka h ILE 385 Cb 0.23 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3mka h ILE 385 CO -0.01 0.41 0.17 0.24 0.00 0.00 0.00 178.15 178.96 3mka h MET 386 N 0.33 0.33 0.40 2.37 2.86 -1.15 -0.47 114.93 119.61 3mka h MET 386 Ca 0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3mka h MET 386 Cb 0.72 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 3mka h MET 386 CO 0.05 0.22 -0.24 0.28 1.06 0.00 0.00 176.91 178.28 3mka h VAL 387 N 0.34 0.50 -0.83 -2.22 2.07 -1.03 -2.85 116.25 112.23 3mka h VAL 387 Ca 0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 3mka h VAL 387 Cb 0.04 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 3mka h VAL 387 CO -0.08 0.00 0.54 -0.09 0.02 0.00 0.00 177.57 177.96 3mka h ARG 388 N -0.61 0.93 -0.22 1.57 2.43 -0.81 0.23 114.38 117.90 3mka h ARG 388 Ca -0.04 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3mka h ARG 388 Cb 0.50 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3mka h ARG 388 CO 0.05 0.61 0.00 0.41 -1.51 0.00 0.00 179.97 179.53 3mka n GLY 389 N -1.41 -0.06 0.00 2.80 0.00 -0.21 -1.07 105.19 105.25 3mka n GLY 389 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.25 1.30 -0.14 1.61 5.15 0.80 -4.80 115.26 118.93 3mka n ASN 390 Ca 0.00 -1.44 -0.04 0.00 -0.60 0.00 0.00 54.58 52.50 3mka n ASN 390 Cb 0.05 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.35 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 0.07 -0.05 1.20 5.85 -1.14 0.26 115.31 121.51 3mka h LEU 391 Ca 0.00 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3mka h LEU 391 Cb 0.33 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3mka h LEU 391 CO 0.00 0.07 0.03 0.00 -0.34 0.00 0.00 178.44 178.20 3mka h ALA 392 N 1.32 0.06 -0.14 1.25 0.00 -1.87 -2.04 119.26 117.84 3mka h ALA 392 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3mka h ALA 392 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3mka h ALA 392 CO -0.26 -0.42 0.04 0.00 0.00 0.00 0.00 179.25 178.62 3mka h ALA 393 N 0.97 1.82 0.00 0.00 0.00 -1.74 -2.03 119.26 118.28 3mka h ALA 393 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3mka h ALA 393 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3mka h ALA 393 CO -0.00 0.15 -0.53 0.00 0.00 0.00 0.00 179.25 178.87 3mka h ALA 394 N 1.86 1.11 0.00 0.00 0.00 -0.02 -1.93 119.26 120.27 3mka h ALA 394 Ca 0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3mka h ALA 394 Cb 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mka h ALA 394 CO -0.00 0.66 -0.08 0.52 0.00 0.00 0.00 179.25 180.35 3mka h MET 395 N 0.00 0.00 -0.57 0.00 2.86 -0.67 -2.54 114.93 114.01 3mka h MET 395 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3mka h MET 395 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3mka h MET 395 CO 0.07 0.08 0.00 1.04 1.06 0.00 0.00 176.91 179.15 3mka n GLN 396 N -3.25 3.57 0.00 1.72 6.02 -0.85 -4.97 117.38 119.61 3mka n GLN 396 Ca -0.00 -2.80 0.00 0.00 -0.01 0.00 0.00 57.00 54.19 3mka n GLN 396 Cb 0.30 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 29.74 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 0.87 3.18 2.33 1.08 0.00 -0.96 -4.95 105.19 106.75 3mka n GLY 397 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 8.08 -4.70 0.99 4.77 -0.79 -4.93 117.00 120.43 3mka n LEU 398 Ca 0.00 -4.37 -0.41 0.00 -0.03 0.00 0.00 56.01 51.20 3mka n LEU 398 Cb 0.00 -1.47 -0.04 0.00 -2.33 0.00 0.00 43.42 39.58 3mka n LEU 398 CO 0.00 2.02 0.56 -0.22 -1.33 0.00 0.00 177.39 178.41 3mka s LEU 399 N -0.62 4.27 -0.24 2.23 2.96 -1.26 -3.89 118.68 122.13 3mka s LEU 399 Ca 0.65 1.30 0.02 0.00 -0.22 0.00 0.00 54.13 55.87 3mka s LEU 399 Cb 0.21 -3.27 0.06 0.00 0.50 0.00 0.00 46.19 43.69 3mka s LEU 399 CO -0.07 -0.27 -0.10 0.00 -1.32 0.00 0.00 176.35 174.59 3mka s ALA 400 N 1.43 2.31 -0.42 5.97 0.00 -1.26 -4.99 121.76 124.80 3mka s ALA 400 Ca 0.41 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 3mka s ALA 400 Cb -0.18 -1.49 0.11 0.00 0.00 0.00 0.00 23.12 21.57 3mka s ALA 400 CO 0.18 -1.11 0.23 -1.17 0.00 0.00 0.00 175.76 173.88 3mka s LEU 401 N 1.23 5.29 0.43 0.00 2.96 -1.26 -4.93 118.68 122.40 3mka s LEU 401 Ca -0.07 -2.07 -0.12 0.00 -0.22 0.00 0.00 54.13 51.66 3mka s LEU 401 Cb -0.19 -1.84 -0.07 0.00 0.50 0.00 0.00 46.19 44.59 3mka s LEU 401 CO -0.06 -0.55 0.81 -2.16 -1.32 0.00 0.00 176.35 173.07 3mka s PRO 402 N 1.09 3.81 -0.10 0.98 0.04 -1.26 -2.94 135.00 136.62 3mka s PRO 402 Ca 0.09 0.56 0.03 0.00 0.04 0.00 0.00 61.00 61.71 3mka s PRO 402 Cb -0.23 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 31.98 3mka s PRO 402 CO -0.04 -0.08 -0.20 -1.17 0.04 0.00 0.00 177.00 175.55 3mka s LEU 403 N -3.90 1.93 -0.11 -3.56 2.96 0.25 -3.26 118.68 113.00 3mka s LEU 403 Ca 0.53 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 3mka s LEU 403 Cb -0.10 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.32 3mka s LEU 403 CO 0.31 0.09 -0.08 -0.22 -1.32 0.00 0.00 176.35 175.13 3mka s LEU 404 N 0.65 3.04 -0.08 -0.68 2.96 0.23 -0.06 118.68 124.74 3mka s LEU 404 Ca -0.13 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3mka s LEU 404 Cb -0.16 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.85 3mka s LEU 404 CO 0.03 0.25 -0.17 0.00 -1.32 0.00 0.00 176.35 175.14 3mka s ALA 405 N -0.15 1.63 0.23 5.97 0.00 -0.58 -0.33 121.76 128.53 3mka s ALA 405 Ca 0.01 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.21 3mka s ALA 405 Cb -0.13 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 3mka s ALA 405 CO 0.03 0.19 0.44 0.20 0.00 0.00 0.00 175.76 176.63 3mka s GLY 406 N 0.50 0.52 -0.21 0.00 0.00 0.00 -0.72 107.32 107.41 3mka s GLY 406 Ca -0.16 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.70 3mka s GLY 406 CO 0.06 -0.66 -0.14 -0.47 0.00 0.00 0.00 173.10 171.89 3mka s TYR 407 N -4.01 2.94 -0.71 1.90 5.04 -0.22 0.99 117.35 123.28 3mka s TYR 407 Ca 0.22 -1.63 -0.23 0.00 -2.44 0.00 0.00 57.07 52.99 3mka s TYR 407 Cb 0.00 -1.98 0.07 0.00 0.35 0.00 0.00 41.96 40.40 3mka s TYR 407 CO 0.07 -0.77 1.03 0.34 -1.34 0.00 0.00 175.55 174.89 3mka s ASP 408 N 1.30 6.23 0.61 4.32 2.15 0.16 -4.86 116.67 126.57 3mka s ASP 408 Ca 0.02 -1.05 0.31 0.00 0.43 0.00 0.00 52.55 52.27 3mka s ASP 408 Cb -0.15 -2.44 1.78 0.00 -0.30 0.00 0.00 42.92 41.81 3mka s ASP 408 CO -0.09 -1.45 2.13 0.16 -0.17 0.00 0.00 175.17 175.74 3mka h ILE 409 N 5.99 0.34 -0.52 4.11 3.07 -1.97 -1.24 117.51 127.30 3mka h ILE 409 Ca -0.23 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.18 3mka h ILE 409 Cb 1.06 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 38.46 3mka h ILE 409 CO 1.20 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.71 3mka n HIS 410 N -3.58 1.22 -2.54 0.16 8.25 -1.26 -4.93 115.22 112.53 3mka n HIS 410 Ca 0.00 -0.48 -0.39 0.00 -0.26 0.00 0.00 57.72 56.59 3mka n HIS 410 Cb 0.28 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 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 -1.82 3.27 0.05 -1.41 0.00 -0.47 -4.97 121.76 116.40 3mka s ALA 411 Ca 0.41 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 3mka s ALA 411 Cb 0.27 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 20.03 3mka s ALA 411 CO 0.19 -0.13 1.25 0.66 0.00 0.00 0.00 175.76 177.73 3mka h SER 412 N 3.32 -0.71 -3.64 0.00 4.64 -1.92 -3.38 113.55 111.86 3mka h SER 412 Ca -0.47 0.08 -0.69 0.00 -0.47 0.00 0.00 61.79 60.24 3mka h SER 412 Cb 1.21 0.26 -0.19 0.00 -0.31 0.00 0.00 62.40 63.37 3mka h SER 412 CO 0.65 -0.25 -0.44 -0.62 -0.87 0.00 0.00 176.83 175.31 3mka s ASP 413 N -3.43 6.09 0.27 4.97 2.15 -1.26 -4.97 116.67 120.49 3mka s ASP 413 Ca -0.07 -0.55 0.20 0.00 0.43 0.00 0.00 52.55 52.56 3mka s ASP 413 Cb 0.03 -2.15 1.00 0.00 -0.30 0.00 0.00 42.92 41.49 3mka s ASP 413 CO 0.27 -0.32 1.60 -0.81 -0.17 0.00 0.00 175.17 175.74 3mka n PRO 414 N 5.17 0.13 0.06 4.34 -0.04 -1.26 -2.48 135.00 140.92 3mka n PRO 414 Ca -0.12 0.57 -0.12 0.00 -0.04 0.00 0.00 63.50 63.79 3mka n PRO 414 Cb 0.49 -1.88 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 3mka n PRO 414 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3mka h GLN 415 N 0.00 0.42 -0.89 0.54 1.08 -1.93 -3.16 115.11 111.17 3mka h GLN 415 Ca 0.00 -0.40 -0.60 0.00 -1.45 0.00 0.00 58.65 56.19 3mka h GLN 415 Cb 0.09 0.10 -0.38 0.00 -0.05 0.00 0.00 27.48 27.25 3mka h GLN 415 CO 0.00 1.06 -0.17 -1.13 -0.95 0.00 0.00 178.83 177.64 3mka n SER 416 N -3.78 5.97 -0.13 1.46 3.41 -1.03 0.27 113.62 119.78 3mka n SER 416 Ca -0.06 -3.77 0.12 0.00 -0.26 0.00 0.00 58.87 54.91 3mka n SER 416 Cb 0.79 -0.59 0.25 0.00 -0.26 0.00 0.00 64.21 64.40 3mka n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mka n ALA 417 N -0.77 3.49 -1.77 7.33 0.00 -1.17 -4.90 120.51 122.72 3mka n ALA 417 Ca 0.51 -0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.17 3mka n ALA 417 Cb 0.83 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 19.21 3mka n ALA 417 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mka s GLY 418 N -2.77 2.74 -0.00 0.00 0.00 -1.26 -0.67 107.32 105.36 3mka s GLY 418 Ca 0.16 0.91 0.01 0.00 0.00 0.00 0.00 44.72 45.80 3mka s GLY 418 CO 0.64 1.33 -0.02 0.50 0.00 0.00 0.00 173.10 175.55 3mka s ARG 419 N -2.88 0.20 -0.08 2.90 1.81 0.28 -4.88 118.95 116.29 3mka s ARG 419 Ca 0.67 -0.11 0.01 0.00 -1.72 0.00 0.00 55.73 54.57 3mka s ARG 419 Cb -0.27 -0.17 0.02 0.00 -0.45 0.00 0.00 34.95 34.07 3mka s ARG 419 CO 0.32 0.05 -0.09 0.42 -0.68 0.00 0.00 175.30 175.33 3mka s ILE 420 N -0.12 0.98 -0.05 1.52 1.01 -1.26 -0.82 121.20 122.46 3mka s ILE 420 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.36 3mka s ILE 420 Cb -0.01 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.51 3mka s ILE 420 CO -0.00 0.34 -0.11 -0.69 0.00 0.00 0.00 174.94 174.48 3mka s VAL 421 N 1.24 0.99 0.14 2.92 1.01 0.55 0.33 120.40 127.57 3mka s VAL 421 Ca -0.04 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.61 3mka s VAL 421 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3mka s VAL 421 CO -0.03 0.31 -0.19 -0.94 0.00 0.00 0.00 175.10 174.26 3mka s SER 422 N 0.49 3.78 -0.04 3.32 1.04 -0.35 -0.61 113.70 121.34 3mka s SER 422 Ca -0.10 -0.64 0.06 0.00 0.48 0.00 0.00 55.95 55.74 3mka s SER 422 Cb -0.13 -0.47 -0.01 0.00 0.10 0.00 0.00 66.02 65.50 3mka s SER 422 CO 0.02 0.16 -0.21 -0.36 0.98 0.00 0.00 173.24 173.83 3mka s PHE 423 N -1.31 2.04 0.57 5.02 0.08 -1.20 -0.61 117.98 122.57 3mka s PHE 423 Ca 0.19 -0.53 -0.02 0.00 0.12 0.00 0.00 56.93 56.69 3mka s PHE 423 Cb -0.10 -1.34 0.03 0.00 -0.57 0.00 0.00 43.02 41.04 3mka s PHE 423 CO 0.10 -0.14 0.83 0.16 -0.10 0.00 0.00 175.22 176.07 3mka s ASP 424 N -0.20 5.30 0.55 1.36 1.47 0.13 -4.67 116.67 120.61 3mka s ASP 424 Ca 0.00 0.23 0.33 0.00 1.18 0.00 0.00 52.55 54.29 3mka s ASP 424 Cb -0.11 -1.14 1.78 0.00 -0.34 0.00 0.00 42.92 43.11 3mka s ASP 424 CO 0.02 -1.16 1.99 0.00 0.68 0.00 0.00 175.17 176.70 3mka h ALA 425 N -0.06 1.10 -0.29 2.11 0.00 -1.91 -1.02 119.26 119.19 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 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.71 3mka n ALA 426 N -1.91 2.46 -0.04 0.00 0.00 -1.26 -4.47 120.51 115.29 3mka n ALA 426 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3mka n ALA 426 Cb 0.16 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.33 0.66 3.73 0.00 0.00 -0.39 -4.50 105.19 106.02 3mka n GLY 427 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3mka n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mka n GLY 428 N -2.00 1.23 3.41 -0.02 0.00 -1.26 -4.75 105.19 101.81 3mka n GLY 428 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.02 2.37 -0.02 1.61 1.48 -1.26 -0.69 118.94 122.41 3mka s TRP 429 Ca 0.65 -0.35 0.01 0.00 -1.06 0.00 0.00 56.10 55.35 3mka s TRP 429 Cb -0.52 -1.29 0.01 0.00 -1.16 0.00 0.00 33.47 30.50 3mka s TRP 429 CO 0.49 0.33 -0.03 1.21 -4.06 0.00 0.00 176.95 174.88 3mka s ASN 430 N -1.98 0.60 -0.16 -2.66 2.47 0.22 -4.96 114.94 108.47 3mka s ASN 430 Ca 0.15 -0.08 -0.24 0.00 0.42 0.00 0.00 52.86 53.11 3mka s ASN 430 Cb -0.10 -0.19 -0.02 0.00 -1.45 0.00 0.00 41.25 39.49 3mka s ASN 430 CO 0.07 -0.01 0.77 -0.63 -3.72 0.00 0.00 177.10 173.58 3mka s ILE 431 N 0.41 4.93 -0.09 -5.21 1.01 -1.26 -1.22 121.20 119.77 3mka s ILE 431 Ca -0.04 1.52 -0.29 0.00 0.00 0.00 0.00 60.65 61.83 3mka s ILE 431 Cb -0.08 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 3mka s ILE 431 CO -0.00 0.08 1.64 -1.61 0.00 0.00 0.00 174.94 175.05 3mka s GLU 432 N 1.88 4.09 0.01 2.79 0.41 0.15 -4.94 118.70 123.09 3mka s GLU 432 Ca 0.36 2.07 -0.03 0.00 -0.41 0.00 0.00 54.97 56.96 3mka s GLU 432 Cb -0.17 -3.99 -0.28 0.00 -1.78 0.00 0.00 34.13 27.91 3mka s GLU 432 CO 0.13 -0.94 0.89 0.93 -0.49 0.00 0.00 175.26 175.77 3mka h GLU 433 N 9.80 0.25 0.00 1.61 4.39 -1.89 -3.34 114.58 125.40 3mka h GLU 433 Ca -0.38 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 58.90 3mka h GLU 433 Cb 1.17 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 3mka h GLU 433 CO 0.96 1.12 0.00 0.39 -1.16 0.00 0.00 179.01 180.32 3mka n GLU 434 N -3.46 0.15 0.00 2.33 1.02 -1.26 -4.82 120.64 114.60 3mka n GLU 434 Ca -0.16 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 3mka n GLU 434 Cb 1.04 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3mka n GLU 434 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mka n GLY 435 N -0.63 0.90 3.50 0.62 0.00 -1.25 -5.04 105.19 103.29 3mka n GLY 435 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3mka n GLY 435 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mka s TYR 436 N -2.24 0.31 0.04 1.61 -0.85 -1.26 -0.92 117.35 114.05 3mka s TYR 436 Ca 0.00 -0.66 -0.28 0.00 -0.52 0.00 0.00 57.07 55.61 3mka s TYR 436 Cb 0.00 0.14 0.09 0.00 0.38 0.00 0.00 41.96 42.57 3mka s TYR 436 CO 0.00 -0.90 0.92 -1.14 -1.52 0.00 0.00 175.55 172.91 3mka s GLN 437 N -3.98 0.92 0.09 -3.49 2.00 -0.41 -4.85 119.66 109.94 3mka s GLN 437 Ca 0.19 -0.41 -0.16 0.00 -2.00 0.00 0.00 55.36 52.98 3mka s GLN 437 Cb 0.00 0.38 0.03 0.00 0.80 0.00 0.00 33.01 34.23 3mka s GLN 437 CO 0.05 -0.41 0.38 0.00 -0.50 0.00 0.00 175.29 174.81 3mka s ALA 438 N -3.15 -0.89 0.04 1.58 0.00 -1.26 -1.63 121.76 116.46 3mka s ALA 438 Ca 0.08 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.03 3mka s ALA 438 Cb -0.01 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 3mka s ALA 438 CO -0.05 -0.54 0.09 0.14 0.00 0.00 0.00 175.76 175.39 3mka s VAL 439 N -3.21 0.14 0.00 0.00 -7.23 -0.14 -4.90 120.40 105.07 3mka s VAL 439 Ca -0.01 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 3mka s VAL 439 Cb 0.01 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.99 3mka s VAL 439 CO -0.08 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.69 3mka n GLY 440 N 0.68 0.95 0.27 2.32 0.00 -1.26 -0.64 105.19 107.51 3mka n GLY 440 Ca -0.18 -2.26 0.14 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.42 1.61 4.64 -1.70 -1.95 113.55 115.73 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 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 3mka n GLY 442 N -0.67 3.00 0.37 -0.77 0.00 -1.26 -4.70 105.19 101.16 3mka n GLY 442 Ca -0.02 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.50 3mka n GLY 442 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mka h SER 443 N 2.58 0.43 -0.33 1.61 4.64 -1.57 -2.04 113.55 118.87 3mka h SER 443 Ca 0.00 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3mka h SER 443 Cb 1.03 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 3mka h SER 443 CO 0.09 0.24 0.11 -0.07 -0.87 0.00 0.00 176.83 176.33 3mka h LEU 444 N 0.47 0.47 -0.75 5.97 4.07 -1.84 0.78 115.31 124.49 3mka h LEU 444 Ca 0.34 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 3mka h LEU 444 Cb 0.69 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.27 3mka h LEU 444 CO -0.11 0.54 0.43 -0.26 -1.08 0.00 0.00 178.44 177.96 3mka h PHE 445 N 0.38 1.01 -0.30 1.13 0.04 -1.76 -1.31 116.94 116.13 3mka h PHE 445 Ca 0.11 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 3mka h PHE 445 Cb 0.23 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 3mka h PHE 445 CO 0.00 0.69 0.01 0.00 -0.60 0.00 0.00 178.31 178.41 3mka h ALA 446 N 1.23 0.40 -0.81 2.45 0.00 -1.09 -1.71 119.26 119.73 3mka h ALA 446 Ca 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3mka h ALA 446 Cb -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3mka h ALA 446 CO -0.05 0.15 0.44 0.87 0.00 0.00 0.00 179.25 180.66 3mka h LYS 447 N 0.32 1.13 -0.06 0.00 1.57 -0.66 -1.14 116.57 117.73 3mka h LYS 447 Ca 0.09 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 3mka h LYS 447 Cb 0.43 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3mka h LYS 447 CO 0.01 0.83 -0.53 0.77 -0.57 0.00 0.00 179.45 179.96 3mka h SER 448 N 1.14 0.19 -0.14 0.86 0.02 -0.94 -1.13 113.55 113.55 3mka h SER 448 Ca 0.29 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3mka h SER 448 Cb 0.04 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 3mka h SER 448 CO -0.05 0.69 -0.06 -1.28 -1.14 0.00 0.00 176.83 175.00 3mka h SER 449 N 0.14 0.29 0.05 3.07 0.87 -0.98 -3.03 113.55 113.96 3mka h SER 449 Ca 0.00 -0.40 -0.06 0.00 -1.23 0.00 0.00 61.79 60.10 3mka h SER 449 Cb 0.99 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 3mka h SER 449 CO 0.08 0.63 -0.17 0.24 -0.53 0.00 0.00 176.83 177.08 3mka h MET 450 N -0.05 0.23 -0.74 2.24 2.07 -0.99 -1.06 114.93 116.64 3mka h MET 450 Ca 0.03 -0.06 0.13 0.00 -2.07 0.00 0.00 59.70 57.73 3mka h MET 450 Cb 0.51 -0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 30.17 3mka h MET 450 CO 0.02 0.41 0.49 -0.22 1.07 0.00 0.00 176.91 178.67 3mka h LYS 451 N 0.22 0.47 0.07 1.72 3.64 -1.09 0.19 116.57 121.80 3mka h LYS 451 Ca 0.04 -0.03 -0.23 0.00 -1.27 0.00 0.00 60.65 59.16 3mka h LYS 451 Cb 0.43 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3mka h LYS 451 CO 0.03 0.31 -1.22 0.87 -2.27 0.00 0.00 179.45 177.17 3mka h LYS 452 N 0.49 0.15 0.00 1.90 1.79 -1.33 -3.37 116.57 116.19 3mka h LYS 452 Ca 0.35 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3mka h LYS 452 Cb 0.70 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 3mka h LYS 452 CO -0.12 1.12 0.00 1.28 -1.08 0.00 0.00 179.45 180.65 3mka n LEU 453 N -4.13 0.52 -0.36 2.94 4.77 -0.48 -4.36 117.00 115.90 3mka n LEU 453 Ca -0.25 0.58 0.04 0.00 -0.03 0.00 0.00 56.01 56.35 3mka n LEU 453 Cb 0.79 -0.46 0.20 0.00 -2.33 0.00 0.00 43.42 41.62 3mka n LEU 453 CO 0.34 -0.29 1.26 0.22 -1.33 0.00 0.00 177.39 177.59 3mka h TYR 454 N 0.00 1.18 -0.03 -1.77 3.20 -0.79 -2.09 116.97 116.66 3mka h TYR 454 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3mka h TYR 454 Cb 0.50 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 3mka h TYR 454 CO 0.00 0.57 0.13 0.66 -1.64 0.00 0.00 178.16 177.88 3mka h SER 455 N 1.11 0.00 -0.01 -2.11 4.64 -1.85 -0.52 113.55 114.81 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 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3mka h SER 455 CO -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.76 3mka n GLN 456 N -3.21 1.06 -3.32 4.77 6.02 -0.78 -4.79 117.38 117.12 3mka n GLN 456 Ca -0.02 -0.09 -0.40 0.00 -0.01 0.00 0.00 57.00 56.48 3mka n GLN 456 Cb 0.20 -1.41 -0.08 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.99 5.11 0.00 5.09 1.01 -0.20 -4.78 120.40 124.63 3mka s VAL 457 Ca 0.38 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.89 3mka s VAL 457 Cb 0.18 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3mka s VAL 457 CO 0.30 0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.78 3mka n THR 458 N 5.21 0.00 -3.96 3.92 -2.24 -1.26 -4.92 114.28 111.03 3mka n THR 458 Ca -0.07 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 3mka n THR 458 Cb 0.50 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 3mka n THR 458 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mka s ASP 459 N -1.48 0.17 0.55 3.42 1.47 -1.26 -4.46 116.67 115.07 3mka s ASP 459 Ca 0.00 -1.08 0.23 0.00 1.18 0.00 0.00 52.55 52.88 3mka s ASP 459 Cb 0.00 0.68 1.47 0.00 -0.34 0.00 0.00 42.92 44.73 3mka s ASP 459 CO 0.00 -1.33 2.12 1.23 0.68 0.00 0.00 175.17 177.87 3mka h GLY 460 N 2.13 0.00 1.41 2.12 0.00 -1.94 -0.07 103.07 106.71 3mka h GLY 460 Ca -0.27 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.75 3mka h GLY 460 CO 0.36 0.00 -1.39 -0.55 0.00 0.00 0.00 176.54 174.95 3mka h ASP 461 N 0.00 0.68 -0.33 0.19 3.32 -1.98 -1.35 116.42 116.95 3mka h ASP 461 Ca 0.08 -0.73 -0.15 0.00 0.02 0.00 0.00 57.03 56.25 3mka h ASP 461 Cb 0.35 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3mka h ASP 461 CO -0.00 1.57 -0.37 0.77 -1.72 0.00 0.00 179.24 179.49 3mka h SER 462 N 0.12 0.90 0.18 6.45 4.64 -1.78 -1.67 113.55 122.39 3mka h SER 462 Ca -0.21 -0.48 -0.03 0.00 -0.47 0.00 0.00 61.79 60.60 3mka h SER 462 Cb 2.09 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.93 3mka h SER 462 CO 0.25 1.20 -0.12 1.23 -0.87 0.00 0.00 176.83 178.52 3mka h GLY 463 N 0.62 0.00 1.63 -0.77 0.00 -1.06 -0.25 103.07 103.23 3mka h GLY 463 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.15 3mka h GLY 463 CO 0.09 0.00 -0.97 -2.00 0.00 0.00 0.00 176.54 173.66 3mka h LEU 464 N 0.00 0.43 -0.24 3.11 5.85 -0.98 -2.49 115.31 120.99 3mka h LEU 464 Ca -0.00 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.27 3mka h LEU 464 Cb 0.24 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3mka h LEU 464 CO 0.02 1.18 -0.16 -0.09 -0.34 0.00 0.00 178.44 179.05 3mka h ARG 465 N 0.17 0.53 -0.89 1.25 2.43 -0.14 -2.21 114.38 115.52 3mka h ARG 465 Ca -0.08 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3mka h ARG 465 Cb 1.62 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 31.12 3mka h ARG 465 CO 0.16 0.82 0.55 0.28 -1.51 0.00 0.00 179.97 180.27 3mka h VAL 466 N 0.25 1.24 -0.52 0.20 2.07 -1.20 -1.27 116.25 117.01 3mka h VAL 466 Ca 0.05 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 3mka h VAL 466 Cb 0.68 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3mka h VAL 466 CO 0.04 0.24 0.16 0.00 0.02 0.00 0.00 177.57 178.03 3mka h ALA 467 N 1.39 0.69 0.00 1.67 0.00 -1.33 0.10 119.26 121.78 3mka h ALA 467 Ca 0.32 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3mka h ALA 467 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3mka h ALA 467 CO -0.06 0.35 -0.28 0.28 0.00 0.00 0.00 179.25 179.54 3mka h VAL 468 N 0.72 0.72 0.12 0.00 2.07 -0.99 -2.49 116.25 116.40 3mka h VAL 468 Ca 0.17 -1.23 -0.27 0.00 0.82 0.00 0.00 66.70 66.19 3mka h VAL 468 Cb 0.29 1.78 0.03 0.00 -1.52 0.00 0.00 31.29 31.87 3mka h VAL 468 CO -0.00 0.27 -1.13 -0.08 0.02 0.00 0.00 177.57 176.65 3mka h GLU 469 N 0.00 0.55 -0.45 1.57 4.81 -0.62 -2.41 114.58 118.03 3mka h GLU 469 Ca -0.00 -0.75 -0.01 0.00 -0.13 0.00 0.00 59.36 58.46 3mka h GLU 469 Cb 0.76 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 3mka h GLU 469 CO 0.04 1.34 0.23 0.00 -0.73 0.00 0.00 179.01 179.88 3mka h ALA 470 N 0.24 1.56 -0.05 2.92 0.00 -0.87 -0.51 119.26 122.56 3mka h ALA 470 Ca -0.18 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3mka h ALA 470 Cb 1.83 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 3mka h ALA 470 CO 0.22 0.36 -0.57 1.25 0.00 0.00 0.00 179.25 180.51 3mka h LEU 471 N 0.62 0.16 -0.30 0.00 5.85 -1.44 -1.18 115.31 119.02 3mka h LEU 471 Ca 0.16 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3mka h LEU 471 Cb 0.05 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3mka h LEU 471 CO -0.02 0.70 -0.16 0.22 -0.34 0.00 0.00 178.44 178.83 3mka h TYR 472 N 0.11 0.74 -0.75 1.25 3.20 -0.67 -1.59 116.97 119.26 3mka h TYR 472 Ca -0.00 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.64 3mka h TYR 472 Cb 1.04 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 3mka h TYR 472 CO 0.01 0.88 0.32 -0.44 -1.64 0.00 0.00 178.16 177.29 3mka h ASP 473 N 0.39 1.00 -0.57 -2.11 3.32 -0.99 -1.40 116.42 116.07 3mka h ASP 473 Ca 0.06 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3mka h ASP 473 Cb 0.69 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3mka h ASP 473 CO 0.05 0.88 0.10 0.00 -1.72 0.00 0.00 179.24 178.55 3mka h ALA 474 N 1.27 0.75 0.00 3.45 0.00 -1.08 -2.58 119.26 121.08 3mka h ALA 474 Ca 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3mka h ALA 474 Cb 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3mka h ALA 474 CO -0.03 0.49 -0.12 0.00 0.00 0.00 0.00 179.25 179.59 3mka h ALA 475 N 1.01 1.44 -0.11 0.00 0.00 -0.85 -1.28 119.26 119.46 3mka h ALA 475 Ca 0.17 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3mka h ALA 475 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3mka h ALA 475 CO 0.01 0.15 -0.60 0.22 0.00 0.00 0.00 179.25 179.03 3mka h ASP 476 N 0.00 0.43 -0.01 0.00 3.58 -0.86 -3.33 116.42 116.23 3mka h ASP 476 Ca -0.00 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.21 3mka h ASP 476 Cb 0.28 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.21 3mka h ASP 476 CO 0.02 0.92 -0.36 0.47 -2.88 0.00 0.00 179.24 177.41 3mka n ASP 477 N -3.90 1.09 -4.08 2.28 8.00 -1.04 -4.92 116.55 113.98 3mka n ASP 477 Ca -0.03 -1.05 -0.31 0.00 0.71 0.00 0.00 54.79 54.11 3mka n ASP 477 Cb 0.62 0.65 -0.16 0.00 -0.02 0.00 0.00 41.12 42.21 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 -1.76 2.83 0.43 -2.24 2.15 -0.51 -4.98 116.67 112.58 3mka s ASP 478 Ca 0.08 -0.54 0.23 0.00 0.43 0.00 0.00 52.55 52.76 3mka s ASP 478 Cb 0.10 -1.29 0.77 0.00 -0.30 0.00 0.00 42.92 42.20 3mka s ASP 478 CO 0.37 -0.00 1.76 0.77 -0.17 0.00 0.00 175.17 177.90 3mka h SER 479 N 7.76 0.00 1.13 -0.34 4.64 -1.87 -2.72 113.55 122.14 3mka h SER 479 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 3mka h SER 479 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3mka h SER 479 CO 0.55 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.74 3mka h ALA 480 N 1.78 1.00 -3.10 5.18 0.00 -1.93 -3.42 119.26 118.77 3mka h ALA 480 Ca -0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 3mka h ALA 480 Cb 0.85 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.43 3mka h ALA 480 CO 0.03 0.00 -0.63 0.99 0.00 0.00 0.00 179.25 179.64 3mka s THR 481 N -3.26 4.26 -0.07 0.00 2.01 -1.03 -4.42 115.64 113.12 3mka s THR 481 Ca 0.07 -0.21 -0.16 0.00 0.31 0.00 0.00 61.69 61.70 3mka s THR 481 Cb 0.10 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 3mka s THR 481 CO 0.50 0.40 0.43 -0.83 -0.69 0.00 0.00 174.62 174.43 3mka s GLY 482 N 1.08 2.41 0.55 4.40 0.00 -1.26 -4.49 107.32 110.00 3mka s GLY 482 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.54 3mka s GLY 482 CO 0.02 0.48 0.76 0.61 0.00 0.00 0.00 173.10 174.97 3mka n GLY 483 N 2.70 0.95 3.67 0.20 0.00 -1.26 -4.41 105.19 107.03 3mka n GLY 483 Ca -0.10 -2.06 -0.50 0.00 0.00 0.00 0.00 46.02 43.36 3mka n GLY 483 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mka n PRO 484 N -2.36 1.93 -2.88 1.61 -0.04 -1.26 -4.92 135.00 127.07 3mka n PRO 484 Ca 0.13 0.70 -0.43 0.00 -0.04 0.00 0.00 63.50 63.85 3mka n PRO 484 Cb 0.47 -2.56 -0.04 0.00 -0.04 0.00 0.00 33.50 31.33 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 4.33 6.25 0.46 3.54 -1.08 -0.27 -4.90 116.67 124.99 3mka s ASP 485 Ca 0.95 -1.19 0.26 0.00 -0.52 0.00 0.00 52.55 52.05 3mka s ASP 485 Cb -0.76 -2.41 0.91 0.00 -1.46 0.00 0.00 42.92 39.20 3mka s ASP 485 CO 0.54 -1.36 1.81 -0.07 0.52 0.00 0.00 175.17 176.61 3mka h LEU 486 N 11.13 0.00 -0.10 -1.34 4.07 -1.91 0.15 115.31 127.32 3mka h LEU 486 Ca -0.21 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.51 3mka h LEU 486 Cb 1.06 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.82 3mka h LEU 486 CO 1.17 0.15 -0.88 0.58 -1.08 0.00 0.00 178.44 178.38 3mka h VAL 487 N 0.00 1.28 0.00 1.22 2.07 -1.96 -3.28 116.25 115.58 3mka h VAL 487 Ca -0.00 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.45 3mka h VAL 487 Cb 0.76 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 3mka h VAL 487 CO 0.02 0.65 -1.10 0.54 0.02 0.00 0.00 177.57 177.70 3mka n ARG 488 N -3.91 0.24 -2.71 1.57 1.74 -1.23 -5.00 116.66 107.36 3mka n ARG 488 Ca -0.09 -0.03 -0.07 0.00 -0.77 0.00 0.00 57.85 56.89 3mka n ARG 488 Cb 0.80 -1.55 0.03 0.00 -1.02 0.00 0.00 32.46 30.72 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 1.40 0.27 3.44 -0.13 0.00 0.46 -5.05 105.19 105.58 3mka n GLY 489 Ca 0.02 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.12 3.46 0.26 -0.61 1.01 -0.73 -5.00 121.20 116.47 3mka s ILE 490 Ca 0.10 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3mka s ILE 490 Cb -0.05 -2.49 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 3mka s ILE 490 CO 0.27 0.51 0.09 -0.36 0.00 0.00 0.00 174.94 175.45 3mka s PHE 491 N 0.31 1.57 0.94 3.97 0.08 -1.26 -1.12 117.98 122.47 3mka s PHE 491 Ca -0.07 -1.15 -0.10 0.00 0.12 0.00 0.00 56.93 55.72 3mka s PHE 491 Cb -0.15 -0.93 0.16 0.00 -0.57 0.00 0.00 43.02 41.54 3mka s PHE 491 CO 0.04 -0.30 1.13 -2.14 -0.10 0.00 0.00 175.22 173.86 3mka s PRO 492 N -4.02 0.79 0.06 0.24 0.02 -1.26 -4.78 135.00 126.05 3mka s PRO 492 Ca 0.37 1.48 0.04 0.00 0.02 0.00 0.00 61.00 62.91 3mka s PRO 492 Cb 0.08 -1.71 -0.04 0.00 0.02 0.00 0.00 34.50 32.85 3mka s PRO 492 CO 0.13 -2.77 -0.03 0.95 -0.33 0.00 0.00 177.00 174.95 3mka s THR 493 N -2.63 3.82 0.05 0.99 -4.23 -0.83 -4.95 115.64 107.87 3mka s THR 493 Ca 0.67 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 3mka s THR 493 Cb -0.23 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 3mka s THR 493 CO 0.59 0.22 -0.02 0.00 -0.54 0.00 0.00 174.62 174.86 3mka s ALA 494 N -1.19 0.45 0.01 3.99 0.00 -1.26 -1.74 121.76 122.02 3mka s ALA 494 Ca 0.22 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3mka s ALA 494 Cb -0.11 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3mka s ALA 494 CO 0.14 -0.36 -0.06 0.08 0.00 0.00 0.00 175.76 175.56 3mka s VAL 495 N -3.71 0.47 -0.08 0.00 1.01 -0.07 -1.11 120.40 116.91 3mka s VAL 495 Ca 0.05 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.60 3mka s VAL 495 Cb 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 36.01 3mka s VAL 495 CO -0.09 -0.01 -0.20 -0.63 0.00 0.00 0.00 175.10 174.16 3mka s ILE 496 N -0.47 1.77 -0.09 2.22 1.01 -0.36 -1.20 121.20 124.07 3mka s ILE 496 Ca -0.01 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.82 3mka s ILE 496 Cb -0.04 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.89 3mka s ILE 496 CO -0.00 0.50 -0.22 -0.63 0.00 0.00 0.00 174.94 174.59 3mka s ILE 497 N 0.38 1.87 0.00 2.92 1.01 0.36 -1.51 121.20 126.24 3mka s ILE 497 Ca -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.57 3mka s ILE 497 Cb -0.17 -1.62 -0.00 0.00 0.01 0.00 0.00 42.46 40.68 3mka s ILE 497 CO 0.07 0.52 0.00 -0.90 0.00 0.00 0.00 174.94 174.63 3mka n ASP 498 N 3.48 -0.01 -0.29 3.58 5.68 -0.64 -1.08 116.55 127.27 3mka n ASP 498 Ca -0.19 -1.01 0.01 0.00 -0.50 0.00 0.00 54.79 53.09 3mka n ASP 498 Cb 0.53 0.02 0.21 0.00 -1.14 0.00 0.00 41.12 40.73 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 1.28 1.43 -0.67 2.12 0.00 -1.94 -2.40 119.26 119.09 3mka h ALA 499 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3mka h ALA 499 Cb 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3mka h ALA 499 CO 0.00 0.49 0.28 -0.44 0.00 0.00 0.00 179.25 179.58 3mka h ASP 500 N 1.11 0.91 -0.23 0.00 3.32 -1.96 -3.49 116.42 116.08 3mka h ASP 500 Ca 0.34 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3mka h ASP 500 Cb -0.01 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.30 3mka h ASP 500 CO -0.10 0.82 0.00 0.61 -1.72 0.00 0.00 179.24 178.85 3mka n GLY 501 N -0.87 -0.96 3.48 2.75 0.00 -0.90 -5.08 105.19 103.60 3mka n GLY 501 Ca 0.05 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.00 2.96 0.03 4.61 0.00 -0.16 -1.61 121.76 126.59 3mka s ALA 502 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 3mka s ALA 502 Cb 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 3mka s ALA 502 CO 0.00 0.18 -0.02 0.14 0.00 0.00 0.00 175.76 176.06 3mka s VAL 503 N 0.43 0.16 0.12 0.00 -7.23 -0.57 -4.98 120.40 108.33 3mka s VAL 503 Ca -0.04 -1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 3mka s VAL 503 Cb -0.14 -0.87 -0.06 0.00 0.56 0.00 0.00 36.38 35.86 3mka s VAL 503 CO 0.03 -0.73 1.00 -1.81 -0.31 0.00 0.00 175.10 173.28 3mka s ASP 504 N -2.16 7.42 0.13 4.85 1.01 -1.26 -1.23 116.67 125.44 3mka s ASP 504 Ca -0.05 1.87 -0.30 0.00 0.71 0.00 0.00 52.55 54.78 3mka s ASP 504 Cb -0.01 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.26 3mka s ASP 504 CO -0.05 -0.12 0.95 -0.69 0.21 0.00 0.00 175.17 175.46 3mka s VAL 505 N 0.02 4.42 0.33 -1.27 1.01 -0.26 -4.92 120.40 119.73 3mka s VAL 505 Ca 0.48 2.05 -0.28 0.00 0.00 0.00 0.00 61.98 64.23 3mka s VAL 505 Cb -0.25 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.72 3mka s VAL 505 CO 0.31 0.36 1.18 -2.16 0.00 0.00 0.00 175.10 174.79 3mka s PRO 506 N -0.25 4.41 0.26 2.72 0.04 -1.26 -4.67 135.00 136.25 3mka s PRO 506 Ca 0.45 1.94 -0.03 0.00 0.04 0.00 0.00 61.00 63.41 3mka s PRO 506 Cb -0.24 -3.02 0.54 0.00 0.04 0.00 0.00 34.50 31.82 3mka s PRO 506 CO 0.30 -0.04 1.68 1.49 0.04 0.00 0.00 177.00 180.47 3mka h GLU 507 N 3.38 0.28 -1.00 4.56 4.81 -1.94 -0.33 114.58 124.34 3mka h GLU 507 Ca -0.48 -0.02 0.22 0.00 -0.13 0.00 0.00 59.36 58.95 3mka h GLU 507 Cb 1.22 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.44 3mka h GLU 507 CO 0.65 0.18 0.62 0.66 -0.73 0.00 0.00 179.01 180.40 3mka h SER 508 N 0.29 0.64 1.37 1.04 4.64 -1.99 0.84 113.55 120.38 3mka h SER 508 Ca 0.46 0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.83 3mka h SER 508 Cb 0.82 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3mka h SER 508 CO -0.54 0.19 -0.20 -0.09 -0.87 0.00 0.00 176.83 175.32 3mka h ARG 509 N 0.60 0.00 0.10 4.77 9.65 -1.43 -2.76 114.38 125.31 3mka h ARG 509 Ca 0.58 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 59.15 3mka h ARG 509 Cb 1.14 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 3mka h ARG 509 CO -0.35 0.20 -1.61 0.82 2.80 0.00 0.00 179.97 181.82 3mka h ILE 510 N 0.00 1.04 0.00 1.20 5.03 -0.85 -2.85 117.51 121.08 3mka h ILE 510 Ca -0.00 -2.73 -0.02 0.00 -0.12 0.00 0.00 64.86 61.99 3mka h ILE 510 Cb 0.94 2.67 -0.00 0.00 -3.03 0.00 0.00 36.82 37.40 3mka h ILE 510 CO 0.03 0.78 -0.07 0.00 -0.68 0.00 0.00 178.15 178.21 3mka h ALA 511 N 0.52 1.08 0.00 1.87 0.00 -1.13 0.28 119.26 121.89 3mka h ALA 511 Ca -0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3mka h ALA 511 Cb 2.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 3mka h ALA 511 CO 0.14 0.09 -0.19 0.93 0.00 0.00 0.00 179.25 180.22 3mka h GLU 512 N 0.00 0.00 -0.97 0.00 4.39 -1.55 -2.75 114.58 113.71 3mka h GLU 512 Ca -0.00 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.96 3mka h GLU 512 Cb 0.41 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.93 3mka h GLU 512 CO 0.01 0.38 0.51 1.25 -1.16 0.00 0.00 179.01 180.00 3mka h LEU 513 N -1.00 0.50 0.20 1.33 5.85 -1.24 -0.87 115.31 120.09 3mka h LEU 513 Ca -0.03 0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3mka h LEU 513 Cb 0.48 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3mka h LEU 513 CO -0.02 -0.00 -0.10 0.00 -0.34 0.00 0.00 178.44 177.98 3mka h ALA 514 N 1.76 -0.27 -0.58 1.25 0.00 -0.54 -2.35 119.26 118.53 3mka h ALA 514 Ca 0.64 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.50 3mka h ALA 514 Cb 1.29 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 3mka h ALA 514 CO -0.53 -0.37 0.57 0.00 0.00 0.00 0.00 179.25 178.92 3mka h ARG 515 N -0.82 0.00 -0.01 0.00 3.08 -1.04 0.20 114.38 115.79 3mka h ARG 515 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3mka h ARG 515 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3mka h ARG 515 CO 0.04 0.00 -0.04 0.00 -1.07 0.00 0.00 179.97 178.91 3mka h ALA 516 N 1.39 0.02 -0.88 0.04 0.00 -0.93 -2.45 119.26 116.44 3mka h ALA 516 Ca 0.27 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3mka h ALA 516 Cb 1.42 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 3mka h ALA 516 CO -0.00 -0.14 0.56 0.82 0.00 0.00 0.00 179.25 180.48 3mka h ILE 517 N -0.56 1.06 -0.74 0.00 2.04 -0.15 0.98 117.51 120.14 3mka h ILE 517 Ca -0.00 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3mka h ILE 517 Cb 0.66 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3mka h ILE 517 CO 0.01 0.19 0.23 0.40 0.00 0.00 0.00 178.15 178.97 3mka h ILE 518 N 1.02 1.26 -0.61 -0.67 2.04 -1.10 -0.02 117.51 119.43 3mka h ILE 518 Ca 0.38 -0.92 -0.08 0.00 1.00 0.00 0.00 64.86 65.24 3mka h ILE 518 Cb 0.15 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3mka h ILE 518 CO -0.16 0.36 0.07 -0.08 0.00 0.00 0.00 178.15 178.34 3mka h GLU 519 N 1.11 1.03 -0.65 2.37 4.81 -0.79 -1.93 114.58 120.53 3mka h GLU 519 Ca 0.24 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 3mka h GLU 519 Cb 0.31 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3mka h GLU 519 CO -0.01 0.98 0.15 1.03 -0.73 0.00 0.00 179.01 180.43 3mka h SER 520 N 0.94 0.97 0.77 1.04 0.87 -0.54 -2.40 113.55 115.18 3mka h SER 520 Ca 0.18 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3mka h SER 520 Cb 0.46 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3mka h SER 520 CO 0.02 0.93 0.00 0.54 -0.53 0.00 0.00 176.83 177.79 3mka n ARG 521 N -4.24 0.18 0.00 2.24 5.12 -0.05 -5.09 116.66 114.82 3mka n ARG 521 Ca 0.05 0.39 0.13 0.00 -1.93 0.00 0.00 57.85 56.48 3mka n ARG 521 Cb 0.25 -1.83 0.21 0.00 -1.16 0.00 0.00 32.46 29.93 3mka n ARG 521 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13