#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6i s PHE 300 N 0.00 3.43 0.42 -0.14 0.40 -1.26 -4.88 117.98 115.94 1p6i s PHE 300 Ca 0.00 -1.88 -0.18 0.00 -0.60 0.00 0.00 56.93 54.26 1p6i s PHE 300 Cb 0.00 -3.36 -0.10 0.00 0.51 0.00 0.00 43.02 40.08 1p6i s PHE 300 CO 0.00 -0.97 0.89 -0.51 0.70 0.00 0.00 175.22 175.34 1p6i s LEU 301 N 1.34 3.91 0.04 -0.37 1.43 -1.12 -4.85 118.68 119.07 1p6i s LEU 301 Ca 0.05 1.54 0.09 0.00 -1.03 0.00 0.00 54.13 54.78 1p6i s LEU 301 Cb -0.25 -4.39 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 1p6i s LEU 301 CO -0.01 -0.36 -0.24 -0.54 0.23 0.00 0.00 176.35 175.43 1p6i s LYS 302 N -3.32 1.64 -0.09 1.70 1.02 -1.26 0.13 119.74 119.57 1p6i s LYS 302 Ca 0.59 -1.04 0.03 0.00 0.02 0.00 0.00 55.97 55.57 1p6i s LYS 302 Cb -0.10 -1.80 0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1p6i s LYS 302 CO 0.18 0.46 -0.18 0.14 -0.92 0.00 0.00 175.35 175.03 1p6i s VAL 303 N -0.80 1.62 0.05 3.17 -7.23 0.18 -4.94 120.40 112.44 1p6i s VAL 303 Ca 0.10 -0.76 0.04 0.00 -1.81 0.00 0.00 61.98 59.56 1p6i s VAL 303 Cb -0.10 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1p6i s VAL 303 CO 0.02 0.46 -0.06 -0.75 -0.31 0.00 0.00 175.10 174.47 1p6i s LYS 304 N 0.57 2.46 -0.34 4.82 2.20 -1.26 -0.42 119.74 127.78 1p6i s LYS 304 Ca -0.15 -0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 54.55 1p6i s LYS 304 Cb -0.17 -2.47 0.02 0.00 -1.51 0.00 0.00 37.83 33.70 1p6i s LYS 304 CO 0.05 0.57 0.16 1.21 -0.36 0.00 0.00 175.35 176.98 1p6i s ASN 305 N -1.80 5.56 0.00 1.43 3.84 -0.13 -1.37 114.94 122.46 1p6i s ASN 305 Ca 0.20 -0.85 0.18 0.00 0.21 0.00 0.00 52.86 52.60 1p6i s ASN 305 Cb -0.11 -1.98 0.98 0.00 -0.55 0.00 0.00 41.25 39.59 1p6i s ASN 305 CO 0.11 -0.30 1.50 0.79 -2.79 0.00 0.00 177.10 176.41 1p6i n TRP 306 N 4.95 0.00 -0.09 0.43 7.02 -0.06 0.90 117.44 130.60 1p6i n TRP 306 Ca -0.13 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.25 1p6i n TRP 306 Cb 0.47 -0.14 -0.15 0.00 -2.42 0.00 0.00 31.31 29.06 1p6i n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1p6i n GLU 307 N -1.14 0.68 -0.00 -0.99 2.13 -1.26 -4.54 120.64 115.51 1p6i n GLU 307 Ca 0.11 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1p6i n GLU 307 Cb 0.10 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1p6i n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1p6i n THR 308 N -2.85 0.04 -0.36 6.31 -2.24 -1.09 -5.00 114.28 109.09 1p6i n THR 308 Ca -0.31 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 1p6i n THR 308 Cb 1.13 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 70.35 1p6i n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1p6i n ASP 309 N 0.02 0.00 -4.71 3.42 8.00 0.26 -4.92 116.55 118.62 1p6i n ASP 309 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1p6i n ASP 309 Cb 0.02 -1.89 -0.03 0.00 -0.02 0.00 0.00 41.12 39.21 1p6i n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1p6i s VAL 310 N -1.32 2.26 -0.08 2.53 1.01 -1.23 -4.66 120.40 118.90 1p6i s VAL 310 Ca 0.00 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1p6i s VAL 310 Cb 0.00 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 1p6i s VAL 310 CO 0.00 0.00 -0.14 -0.69 0.00 0.00 0.00 175.10 174.28 1p6i s VAL 311 N 1.82 3.07 0.03 2.92 1.01 -1.26 -0.96 120.40 127.04 1p6i s VAL 311 Ca 0.77 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1p6i s VAL 311 Cb -0.48 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1p6i s VAL 311 CO 0.34 0.56 -0.21 -0.76 0.00 0.00 0.00 175.10 175.03 1p6i s LEU 312 N -0.27 2.14 -0.18 3.92 1.43 0.44 -4.95 118.68 121.22 1p6i s LEU 312 Ca 0.02 -0.49 -0.09 0.00 -1.03 0.00 0.00 54.13 52.54 1p6i s LEU 312 Cb -0.13 -1.01 -0.05 0.00 0.03 0.00 0.00 46.19 45.03 1p6i s LEU 312 CO 0.03 0.19 0.12 -0.89 0.23 0.00 0.00 176.35 176.03 1p6i s THR 313 N -0.73 5.34 -0.20 5.49 2.01 -1.26 0.47 115.64 126.76 1p6i s THR 313 Ca 0.08 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.20 1p6i s THR 313 Cb -0.09 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 1p6i s THR 313 CO 0.01 0.49 -0.03 -0.62 -0.69 0.00 0.00 174.62 173.78 1p6i s ASP 314 N -0.00 4.51 0.00 3.53 -1.08 0.36 -4.64 116.67 119.34 1p6i s ASP 314 Ca 0.09 -0.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.82 1p6i s ASP 314 Cb -0.11 -1.76 0.00 0.00 -1.46 0.00 0.00 42.92 39.58 1p6i s ASP 314 CO -0.00 0.04 0.00 0.35 0.52 0.00 0.00 175.17 176.08 1p6i n THR 315 N 4.41 0.00 -0.19 1.71 -2.24 -0.29 -2.79 114.28 114.89 1p6i n THR 315 Ca -0.18 -0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1p6i n THR 315 Cb 0.51 0.54 0.44 0.00 -2.10 0.00 0.00 70.33 69.73 1p6i n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1p6i h LEU 316 N 0.00 0.51 -2.23 3.22 6.46 -1.65 0.92 115.31 122.53 1p6i h LEU 316 Ca 0.00 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.82 1p6i h LEU 316 Cb 0.00 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 1p6i h LEU 316 CO 0.00 0.28 0.14 1.12 -0.62 0.00 0.00 178.44 179.35 1p6i h HIS 317 N 0.55 0.00 0.00 1.25 2.07 -1.84 0.09 115.15 117.27 1p6i h HIS 317 Ca 0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.90 1p6i h HIS 317 Cb 0.70 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.68 1p6i h HIS 317 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 1p6i n LEU 318 N -3.99 0.00 -0.70 6.12 4.77 0.32 -0.78 117.00 122.73 1p6i n LEU 318 Ca 0.00 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.43 1p6i n LEU 318 Cb 0.25 -0.37 0.10 0.00 -2.33 0.00 0.00 43.42 41.08 1p6i n LEU 318 CO 0.29 -0.27 0.55 0.29 -1.33 0.00 0.00 177.39 176.92 1p6i n LYS 319 N -1.37 1.60 -2.00 3.23 5.02 0.02 -4.99 118.16 119.67 1p6i n LYS 319 Ca 0.03 -1.65 -0.37 0.00 -2.02 0.00 0.00 58.31 54.30 1p6i n LYS 319 Cb 0.07 -1.32 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1p6i n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1p6i s SER 320 N -1.24 5.48 0.00 4.39 0.15 0.04 -4.94 113.70 117.58 1p6i s SER 320 Ca 0.22 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.37 1p6i s SER 320 Cb 0.14 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1p6i s SER 320 CO 0.20 -1.40 0.00 1.07 1.20 0.00 0.00 173.24 174.31 1p6i n THR 321 N -1.08 0.00 -2.70 6.45 5.66 -1.22 -5.07 114.28 116.31 1p6i n THR 321 Ca 0.11 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.81 1p6i n THR 321 Cb 0.47 -0.58 -0.02 0.00 -1.55 0.00 0.00 70.33 68.66 1p6i n THR 321 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1p6i s LEU 322 N -3.53 3.71 0.49 1.09 1.43 -1.26 -5.07 118.68 115.55 1p6i s LEU 322 Ca 0.00 1.10 -0.19 0.00 -1.03 0.00 0.00 54.13 54.01 1p6i s LEU 322 Cb 0.00 -4.02 -0.08 0.00 0.03 0.00 0.00 46.19 42.12 1p6i s LEU 322 CO 0.00 -0.50 1.00 -1.61 0.23 0.00 0.00 176.35 175.48 1p6i s GLU 323 N -4.24 3.88 0.00 1.70 2.02 -1.26 -4.54 118.70 116.26 1p6i s GLU 323 Ca 0.50 1.18 0.21 0.00 0.02 0.00 0.00 54.97 56.88 1p6i s GLU 323 Cb -0.10 -2.12 -0.23 0.00 0.10 0.00 0.00 34.13 31.78 1p6i s GLU 323 CO 0.37 -0.34 0.57 0.25 0.02 0.00 0.00 175.26 176.14 1p6i n THR 324 N -1.16 0.55 0.00 3.63 -2.24 -1.26 -4.84 114.28 108.95 1p6i n THR 324 Ca 0.08 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1p6i n THR 324 Cb 0.53 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1p6i n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p6i n GLY 325 N 1.35 2.28 3.95 3.38 0.00 -1.26 -4.88 105.19 110.01 1p6i n GLY 325 Ca -0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1p6i n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6i s THR 327 N -2.76 0.00 -0.36 0.00 -4.23 -0.40 -5.00 115.64 102.89 1p6i s THR 327 Ca 0.53 -1.84 0.26 0.00 -1.18 0.00 0.00 61.69 59.46 1p6i s THR 327 Cb -0.10 -2.55 0.28 0.00 1.34 0.00 0.00 72.50 71.46 1p6i s THR 327 CO 0.40 0.00 1.77 -0.33 -0.54 0.00 0.00 174.62 175.91 1p6i h GLU 328 N 2.16 0.00 0.00 3.99 5.08 -2.05 -3.11 114.58 120.65 1p6i h GLU 328 Ca -0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1p6i h GLU 328 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1p6i h GLU 328 CO 0.38 0.00 -1.85 0.72 -1.00 0.00 0.00 179.01 177.26 1p6i n HIS 329 N -2.40 0.00 -3.73 4.33 8.25 -1.26 -5.00 115.22 115.41 1p6i n HIS 329 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 1p6i n HIS 329 Cb 0.24 -0.45 -0.12 0.00 1.12 0.00 0.00 29.99 30.78 1p6i n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1p6i s ILE 330 N -3.14 -0.02 -0.21 1.59 2.07 -1.18 -5.14 121.20 115.17 1p6i s ILE 330 Ca -0.07 0.09 -0.12 0.00 -1.41 0.00 0.00 60.65 59.14 1p6i s ILE 330 Cb 0.11 -0.46 -0.05 0.00 0.13 0.00 0.00 42.46 42.19 1p6i s ILE 330 CO 0.73 0.04 0.23 0.00 -1.91 0.00 0.00 174.94 174.03 1p6i n MET 332 N 4.09 2.46 0.23 0.00 0.00 -1.26 -4.74 117.12 117.90 1p6i n MET 332 Ca -0.13 -3.05 0.18 0.00 0.00 0.00 0.00 57.70 54.70 1p6i n MET 332 Cb 0.52 -1.91 0.81 0.00 0.00 0.00 0.00 33.22 32.63 1p6i n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1p6i h GLY 333 N 1.46 0.00 -2.14 3.03 0.00 -1.93 -1.03 103.07 102.46 1p6i h GLY 333 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1p6i h GLY 333 CO 0.45 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.85 1p6i n SER 334 N -3.29 3.48 -4.67 0.19 3.41 -1.26 -4.82 113.62 106.65 1p6i n SER 334 Ca 0.02 -1.97 -0.41 0.00 -0.26 0.00 0.00 58.87 56.24 1p6i n SER 334 Cb 0.45 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 1p6i n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1p6i s ILE 335 N -1.10 4.91 0.23 -1.33 -1.09 -0.39 -4.96 121.20 117.47 1p6i s ILE 335 Ca 0.38 1.54 -0.07 0.00 -2.23 0.00 0.00 60.65 60.27 1p6i s ILE 335 Cb 0.20 -4.10 0.18 0.00 -1.58 0.00 0.00 42.46 37.17 1p6i s ILE 335 CO 0.27 0.05 1.82 0.24 -1.23 0.00 0.00 174.94 176.09 1p6i h MET 336 N 7.35 1.19 -2.59 2.79 2.86 -1.91 -3.36 114.93 121.27 1p6i h MET 336 Ca -0.30 -0.18 -0.60 0.00 -2.06 0.00 0.00 59.70 56.56 1p6i h MET 336 Cb 1.13 -0.21 -0.40 0.00 0.06 0.00 0.00 31.60 32.19 1p6i h MET 336 CO 0.82 0.93 -0.81 1.28 1.06 0.00 0.00 176.91 180.19 1p6i n LEU 337 N -4.30 1.21 0.14 1.22 4.77 -1.26 -5.16 117.00 113.62 1p6i n LEU 337 Ca 0.08 -4.80 -0.05 0.00 -0.03 0.00 0.00 56.01 51.21 1p6i n LEU 337 Cb 0.15 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1p6i n LEU 337 CO 0.40 1.86 0.51 -0.65 -1.33 0.00 0.00 177.39 178.17 1p6i h PRO 338 N 5.28 -0.33 0.00 3.23 0.11 -1.90 -3.54 132.00 134.84 1p6i h PRO 338 Ca 0.20 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1p6i h PRO 338 Cb 0.83 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1p6i h PRO 338 CO 0.54 -0.22 0.00 2.41 -0.21 0.00 0.00 178.00 180.52 1p6i n THR 350 N -2.94 0.00 -0.01 -1.15 -1.04 -1.26 -5.05 114.28 102.83 1p6i n THR 350 Ca -0.04 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.00 1p6i n THR 350 Cb 0.14 0.00 0.41 0.00 -1.82 0.00 0.00 70.33 69.06 1p6i n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1p6i h LYS 351 N 0.00 0.56 -0.32 -2.82 1.57 -1.94 0.20 116.57 113.83 1p6i h LYS 351 Ca 0.00 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1p6i h LYS 351 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1p6i h LYS 351 CO 0.00 0.38 -0.24 -0.44 -0.57 0.00 0.00 179.45 178.57 1p6i h ASP 352 N 0.58 0.64 0.87 0.86 3.32 -1.98 -2.82 116.42 117.88 1p6i h ASP 352 Ca 0.15 -0.23 -0.20 0.00 0.02 0.00 0.00 57.03 56.78 1p6i h ASP 352 Cb -0.06 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1p6i h ASP 352 CO -0.03 0.87 -0.94 1.56 -1.72 0.00 0.00 179.24 178.97 1p6i h GLN 353 N 0.55 0.04 -0.03 3.56 4.20 -1.79 -3.38 115.11 118.26 1p6i h GLN 353 Ca 0.08 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1p6i h GLN 353 Cb 0.71 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 1p6i h GLN 353 CO 0.05 0.95 -0.05 1.25 -0.67 0.00 0.00 178.83 180.37 1p6i h LEU 354 N 0.02 0.10 -1.06 1.46 5.85 -0.81 -3.28 115.31 117.59 1p6i h LEU 354 Ca -0.02 -0.53 0.01 0.00 0.84 0.00 0.00 57.88 58.18 1p6i h LEU 354 Cb 1.65 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.61 1p6i h LEU 354 CO 0.13 0.60 0.61 0.15 -0.34 0.00 0.00 178.44 179.60 1p6i h PHE 355 N -0.41 1.19 -0.71 1.25 3.57 -1.68 0.93 116.94 121.08 1p6i h PHE 355 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1p6i h PHE 355 Cb 0.58 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1p6i h PHE 355 CO 0.11 0.75 0.37 -1.00 -2.23 0.00 0.00 178.31 176.31 1p6i h PRO 356 N 1.28 1.00 -0.19 6.41 0.13 -1.75 0.50 132.00 139.38 1p6i h PRO 356 Ca 0.34 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 65.32 1p6i h PRO 356 Cb -0.13 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 30.79 1p6i h PRO 356 CO -0.07 0.75 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.37 1p6i h LEU 357 N 1.00 0.34 -0.51 1.56 3.38 -1.41 0.02 115.31 119.69 1p6i h LEU 357 Ca 0.25 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1p6i h LEU 357 Cb 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1p6i h LEU 357 CO -0.04 0.58 0.31 0.00 0.09 0.00 0.00 178.44 179.39 1p6i h ALA 358 N 0.77 0.64 -0.23 1.53 0.00 -0.37 -1.28 119.26 120.32 1p6i h ALA 358 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1p6i h ALA 358 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1p6i h ALA 358 CO 0.01 0.12 0.13 -0.22 0.00 0.00 0.00 179.25 179.29 1p6i h LYS 359 N 0.68 0.26 -0.39 0.00 3.64 0.15 0.14 116.57 121.05 1p6i h LYS 359 Ca 0.18 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.61 1p6i h LYS 359 Cb -0.02 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.68 1p6i h LYS 359 CO -0.04 0.17 0.04 1.49 -2.27 0.00 0.00 179.45 178.85 1p6i h GLU 360 N 0.27 0.15 0.58 1.90 4.81 -0.65 0.18 114.58 121.82 1p6i h GLU 360 Ca 0.09 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1p6i h GLU 360 Cb -0.00 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.35 1p6i h GLU 360 CO -0.04 0.10 -0.28 0.35 -0.73 0.00 0.00 179.01 178.41 1p6i h PHE 361 N 0.16 -0.72 -0.91 0.92 3.57 -0.82 -2.43 116.94 116.70 1p6i h PHE 361 Ca 0.19 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.78 1p6i h PHE 361 Cb 0.25 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 1p6i h PHE 361 CO -0.23 -0.40 0.59 -0.07 -2.23 0.00 0.00 178.31 175.97 1p6i h LEU 362 N -0.92 0.80 -0.12 0.59 3.38 -0.60 0.26 115.31 118.70 1p6i h LEU 362 Ca -0.08 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1p6i h LEU 362 Cb 0.64 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1p6i h LEU 362 CO 0.13 0.45 0.07 0.44 0.09 0.00 0.00 178.44 179.63 1p6i h ASP 363 N 0.87 0.13 0.05 -0.43 3.32 -0.87 0.22 116.42 119.71 1p6i h ASP 363 Ca 0.44 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.37 1p6i h ASP 363 Cb 0.48 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1p6i h ASP 363 CO -0.20 0.11 -0.31 0.06 -1.72 0.00 0.00 179.24 177.18 1p6i h GLN 364 N 0.14 0.40 0.25 3.56 3.07 -0.76 0.36 115.11 122.13 1p6i h GLN 364 Ca 0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 58.65 58.61 1p6i h GLN 364 Cb -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.55 1p6i h GLN 364 CO -0.01 0.67 -0.12 -0.92 0.09 0.00 0.00 178.83 178.54 1p6i h TYR 365 N 0.34 -0.31 0.00 0.06 3.20 0.07 0.14 116.97 120.47 1p6i h TYR 365 Ca 0.04 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1p6i h TYR 365 Cb 0.73 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 1p6i h TYR 365 CO 0.02 -0.08 -0.21 1.88 -1.64 0.00 0.00 178.16 178.13 1p6i h TYR 366 N -0.50 0.00 -0.45 -3.82 -1.99 -0.48 -1.16 116.97 108.56 1p6i h TYR 366 Ca -0.03 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.58 1p6i h TYR 366 Cb 0.37 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 1p6i h TYR 366 CO -0.02 0.21 -0.19 1.03 -0.00 0.00 0.00 178.16 179.19 1p6i h SER 367 N 0.00 0.91 0.68 3.88 0.87 -0.51 0.11 113.55 119.49 1p6i h SER 367 Ca -0.00 -0.33 -0.06 0.00 -1.23 0.00 0.00 61.79 60.17 1p6i h SER 367 Cb 0.42 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1p6i h SER 367 CO 0.03 1.08 -0.29 0.77 -0.53 0.00 0.00 176.83 177.89 1p6i h SER 368 N 0.78 0.00 -0.56 6.23 4.64 0.47 -2.77 113.55 122.35 1p6i h SER 368 Ca 0.11 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1p6i h SER 368 Cb 0.74 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1p6i h SER 368 CO 0.06 0.29 0.00 2.30 -0.87 0.00 0.00 176.83 178.61 1p6i n ILE 369 N -3.61 2.75 -3.90 0.95 -5.35 -0.79 -4.95 119.36 104.46 1p6i n ILE 369 Ca -0.01 -1.45 -0.29 0.00 -0.27 0.00 0.00 62.75 60.73 1p6i n ILE 369 Cb 0.42 -0.28 0.02 0.00 -1.74 0.00 0.00 39.64 38.06 1p6i n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1p6i n LYS 370 N 0.53 -5.40 -1.42 6.28 5.02 -1.02 -4.87 118.16 117.27 1p6i n LYS 370 Ca 0.28 0.59 0.04 0.00 -2.02 0.00 0.00 58.31 57.20 1p6i n LYS 370 Cb 1.19 -5.44 0.05 0.00 -0.02 0.00 0.00 35.03 30.82 1p6i n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1p6i n ARG 371 N -4.64 0.41 -2.12 1.97 5.12 0.35 -5.04 116.66 112.71 1p6i n ARG 371 Ca 0.00 -2.33 -0.42 0.00 -1.93 0.00 0.00 57.85 53.17 1p6i n ARG 371 Cb 0.54 -0.39 -0.03 0.00 -1.16 0.00 0.00 32.46 31.42 1p6i n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1p6i s PHE 372 N -0.81 3.18 -0.93 -1.55 5.36 -1.06 -2.48 117.98 119.68 1p6i s PHE 372 Ca 0.35 1.03 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 1p6i s PHE 372 Cb 0.38 -3.71 0.00 0.00 -0.34 0.00 0.00 43.02 39.35 1p6i s PHE 372 CO -0.14 -2.38 0.00 0.41 -1.46 0.00 0.00 175.22 171.64 1p6i n GLY 373 N 2.81 0.85 3.98 13.12 0.00 -1.26 -5.02 105.19 119.67 1p6i n GLY 373 Ca 0.09 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 1p6i n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p6i s SER 374 N -2.84 5.15 0.16 1.61 1.04 -1.04 -4.92 113.70 112.87 1p6i s SER 374 Ca 0.00 -0.12 -0.11 0.00 0.48 0.00 0.00 55.95 56.19 1p6i s SER 374 Cb 0.00 -0.68 0.03 0.00 0.10 0.00 0.00 66.02 65.47 1p6i s SER 374 CO 0.00 -1.24 1.61 0.50 0.98 0.00 0.00 173.24 175.09 1p6i h LYS 375 N 0.02 0.94 -0.69 4.02 3.64 -1.95 0.20 116.57 122.75 1p6i h LYS 375 Ca -0.41 -0.31 0.07 0.00 -1.27 0.00 0.00 60.65 58.74 1p6i h LYS 375 Cb 1.29 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 1p6i h LYS 375 CO 0.49 0.96 0.37 0.00 -2.27 0.00 0.00 179.45 179.01 1p6i h ALA 376 N 0.94 0.94 0.52 5.00 0.00 -1.94 1.01 119.26 125.73 1p6i h ALA 376 Ca 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1p6i h ALA 376 Cb 0.55 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1p6i h ALA 376 CO 0.03 0.01 -0.25 1.25 0.00 0.00 0.00 179.25 180.29 1p6i h HIS 377 N 0.65 -0.65 -0.59 0.00 -0.00 -1.65 -0.51 115.15 112.40 1p6i h HIS 377 Ca 0.32 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.70 1p6i h HIS 377 Cb 0.27 0.21 -0.04 0.00 -0.00 0.00 0.00 27.41 27.85 1p6i h HIS 377 CO -0.09 -0.37 0.36 0.52 -0.00 0.00 0.00 177.93 178.36 1p6i h MET 378 N -0.78 0.70 0.55 5.26 2.07 -0.36 0.27 114.93 122.64 1p6i h MET 378 Ca -0.07 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.50 1p6i h MET 378 Cb 0.57 -0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 30.13 1p6i h MET 378 CO 0.12 0.46 -0.48 -0.44 1.07 0.00 0.00 176.91 177.64 1p6i h ASP 379 N 0.72 -1.31 -0.75 1.22 3.32 0.11 -0.35 116.42 119.38 1p6i h ASP 379 Ca 0.24 0.10 0.15 0.00 0.02 0.00 0.00 57.03 57.53 1p6i h ASP 379 Cb 0.02 0.42 -0.10 0.00 0.22 0.00 0.00 39.33 39.89 1p6i h ASP 379 CO -0.10 -0.66 0.29 -0.09 -1.72 0.00 0.00 179.24 176.95 1p6i h ARG 380 N -1.02 0.40 -0.72 3.56 9.65 -0.88 0.18 114.38 125.55 1p6i h ARG 380 Ca -0.07 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.82 1p6i h ARG 380 Cb 0.86 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.31 1p6i h ARG 380 CO -0.02 0.27 0.45 1.25 2.80 0.00 0.00 179.97 184.71 1p6i h LEU 381 N 0.41 0.72 -0.32 3.80 5.85 -0.53 -0.37 115.31 124.88 1p6i h LEU 381 Ca 0.42 0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.95 1p6i h LEU 381 Cb 0.65 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1p6i h LEU 381 CO -0.42 0.49 -0.63 -0.08 -0.34 0.00 0.00 178.44 177.46 1p6i h GLU 382 N 0.86 0.75 -0.10 1.25 4.57 0.65 -1.15 114.58 121.40 1p6i h GLU 382 Ca 0.30 -0.52 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1p6i h GLU 382 Cb 0.05 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1p6i h GLU 382 CO -0.12 1.14 0.06 1.49 -1.18 0.00 0.00 179.01 180.40 1p6i h GLU 383 N 0.55 0.13 -0.59 1.92 4.81 -0.25 0.37 114.58 121.51 1p6i h GLU 383 Ca -0.01 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1p6i h GLU 383 Cb 1.23 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1p6i h GLU 383 CO 0.13 0.08 0.07 0.28 -0.73 0.00 0.00 179.01 178.84 1p6i h VAL 384 N 0.13 1.25 0.24 0.32 2.07 -1.10 0.13 116.25 119.28 1p6i h VAL 384 Ca 0.04 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1p6i h VAL 384 Cb -0.01 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1p6i h VAL 384 CO -0.01 0.37 -0.21 -1.13 0.02 0.00 0.00 177.57 176.61 1p6i h ASN 385 N 0.91 -0.54 -0.50 0.57 -0.73 -0.55 0.22 115.58 114.97 1p6i h ASN 385 Ca 0.18 0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.36 1p6i h ASN 385 Cb 0.44 0.18 -0.03 0.00 0.27 0.00 0.00 38.32 39.18 1p6i h ASN 385 CO 0.01 -0.31 0.19 0.11 -0.37 0.00 0.00 177.43 177.07 1p6i h LYS 386 N -0.47 0.80 -0.36 6.67 1.79 -0.07 -1.61 116.57 123.33 1p6i h LYS 386 Ca -0.01 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.30 1p6i h LYS 386 Cb 0.42 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 1p6i h LYS 386 CO -0.03 0.68 0.11 1.49 -1.08 0.00 0.00 179.45 180.62 1p6i h GLU 387 N 0.79 0.56 -0.20 3.15 4.81 -0.18 -0.89 114.58 122.62 1p6i h GLU 387 Ca 0.18 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1p6i h GLU 387 Cb 0.19 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1p6i h GLU 387 CO -0.01 0.58 0.09 0.82 -0.73 0.00 0.00 179.01 179.76 1p6i h ILE 388 N 0.43 1.14 -0.91 2.32 2.04 -0.26 1.02 117.51 123.29 1p6i h ILE 388 Ca 0.12 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1p6i h ILE 388 Cb 0.26 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 1p6i h ILE 388 CO -0.00 0.14 0.60 -0.08 0.00 0.00 0.00 178.15 178.80 1p6i h GLU 389 N 0.18 1.06 0.18 2.37 4.57 -1.18 1.36 114.58 123.13 1p6i h GLU 389 Ca 0.07 -0.06 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 1p6i h GLU 389 Cb 0.14 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1p6i h GLU 389 CO -0.01 0.70 -1.77 1.03 -1.18 0.00 0.00 179.01 177.79 1p6i h SER 390 N 1.10 0.61 -0.02 1.04 0.87 -0.86 -3.39 113.55 112.89 1p6i h SER 390 Ca 0.38 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1p6i h SER 390 Cb 0.10 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1p6i h SER 390 CO -0.13 1.79 0.00 0.35 -0.53 0.00 0.00 176.83 178.32 1p6i n THR 391 N -3.59 0.01 -0.94 2.23 -2.24 0.35 -4.97 114.28 105.14 1p6i n THR 391 Ca -0.25 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1p6i n THR 391 Cb 1.08 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 70.61 1p6i n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1p6i n SER 392 N 0.83 -4.47 -0.77 3.42 3.41 0.47 -4.84 113.62 111.68 1p6i n SER 392 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1p6i n SER 392 Cb 0.37 -2.66 0.00 0.00 -0.26 0.00 0.00 64.21 61.67 1p6i n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1p6i n THR 393 N -2.20 0.00 -3.82 6.66 5.66 -1.24 -4.74 114.28 114.60 1p6i n THR 393 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1p6i n THR 393 Cb 0.32 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.10 1p6i n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1p6i s TYR 394 N -6.02 -0.09 -0.08 1.09 -0.85 -1.26 -2.83 117.35 107.32 1p6i s TYR 394 Ca 0.00 -0.34 0.04 0.00 -0.52 0.00 0.00 57.07 56.25 1p6i s TYR 394 Cb 0.00 0.70 -0.02 0.00 0.38 0.00 0.00 41.96 43.03 1p6i s TYR 394 CO 0.00 -1.11 -0.19 -0.65 -1.52 0.00 0.00 175.55 172.08 1p6i s GLN 395 N -3.26 2.80 0.34 -3.49 -1.52 -1.26 -5.06 119.66 108.21 1p6i s GLN 395 Ca 0.13 -0.79 -0.26 0.00 -1.95 0.00 0.00 55.36 52.50 1p6i s GLN 395 Cb -0.04 -2.36 -0.10 0.00 -0.22 0.00 0.00 33.01 30.30 1p6i s GLN 395 CO 0.06 0.39 0.96 -0.51 -0.25 0.00 0.00 175.29 175.94 1p6i s LEU 396 N -0.14 4.30 0.57 2.90 1.43 -1.26 -5.03 118.68 121.45 1p6i s LEU 396 Ca -0.03 1.86 -0.17 0.00 -1.03 0.00 0.00 54.13 54.77 1p6i s LEU 396 Cb -0.14 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 41.98 1p6i s LEU 396 CO 0.04 -0.13 1.07 -0.54 0.23 0.00 0.00 176.35 177.01 1p6i s LYS 397 N -2.15 3.40 0.27 1.70 -0.14 -1.26 -4.78 119.74 116.78 1p6i s LYS 397 Ca 0.52 1.31 0.00 0.00 -1.36 0.00 0.00 55.97 56.44 1p6i s LYS 397 Cb -0.19 -2.04 0.58 0.00 -1.68 0.00 0.00 37.83 34.51 1p6i s LYS 397 CO 0.24 -0.76 1.74 -0.44 -0.76 0.00 0.00 175.35 175.37 1p6i h ASP 398 N 0.78 0.44 -0.76 2.83 3.32 -1.99 0.12 116.42 121.15 1p6i h ASP 398 Ca -0.48 0.11 0.03 0.00 0.02 0.00 0.00 57.03 56.72 1p6i h ASP 398 Cb 1.23 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 1p6i h ASP 398 CO 0.57 0.14 0.48 0.71 -1.72 0.00 0.00 179.24 179.42 1p6i h THR 399 N 0.53 1.10 -0.25 0.35 1.35 -2.00 -1.05 112.91 112.94 1p6i h THR 399 Ca 0.49 -0.32 -0.12 0.00 -0.55 0.00 0.00 66.41 65.91 1p6i h THR 399 Cb 0.77 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1p6i h THR 399 CO -0.42 0.17 -0.33 -0.33 -0.25 0.00 0.00 175.52 174.36 1p6i h GLU 400 N 0.93 0.53 0.05 4.72 5.08 -1.22 -1.66 114.58 123.02 1p6i h GLU 400 Ca 0.31 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1p6i h GLU 400 Cb 0.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1p6i h GLU 400 CO -0.12 0.80 -0.02 1.25 -1.00 0.00 0.00 179.01 179.92 1p6i h LEU 401 N 0.46 -0.06 -0.19 1.33 5.85 -0.31 0.70 115.31 123.08 1p6i h LEU 401 Ca 0.05 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1p6i h LEU 401 Cb 0.80 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1p6i h LEU 401 CO 0.06 0.11 0.12 0.40 -0.34 0.00 0.00 178.44 178.80 1p6i h ILE 402 N -0.23 1.06 -0.44 4.05 2.04 -1.15 -0.70 117.51 122.15 1p6i h ILE 402 Ca -0.01 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1p6i h ILE 402 Cb 0.20 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1p6i h ILE 402 CO 0.01 0.06 0.21 0.22 0.00 0.00 0.00 178.15 178.64 1p6i h TYR 403 N 0.25 0.38 -0.60 1.37 3.20 -1.21 -1.38 116.97 118.98 1p6i h TYR 403 Ca 0.07 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1p6i h TYR 403 Cb -0.02 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 1p6i h TYR 403 CO -0.06 0.18 0.31 0.78 -1.64 0.00 0.00 178.16 177.73 1p6i h GLY 404 N 0.42 0.91 0.87 1.82 0.00 -0.54 -1.41 103.07 105.12 1p6i h GLY 404 Ca 0.19 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1p6i h GLY 404 CO -0.15 0.41 0.05 0.00 0.00 0.00 0.00 176.54 176.85 1p6i h ALA 405 N 1.14 0.34 -0.53 3.60 0.00 -0.79 0.30 119.26 123.32 1p6i h ALA 405 Ca 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1p6i h ALA 405 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1p6i h ALA 405 CO -0.03 0.02 0.18 0.87 0.00 0.00 0.00 179.25 180.28 1p6i h LYS 406 N 0.24 0.78 0.00 0.00 1.57 -1.17 -2.49 116.57 115.49 1p6i h LYS 406 Ca 0.08 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1p6i h LYS 406 Cb 0.32 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1p6i h LYS 406 CO 0.00 0.66 -0.63 0.45 -0.57 0.00 0.00 179.45 179.37 1p6i h HIS 407 N 0.76 0.00 -0.74 -1.35 3.86 -0.99 0.20 115.15 116.89 1p6i h HIS 407 Ca 0.18 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 1p6i h HIS 407 Cb 0.20 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 1p6i h HIS 407 CO 0.01 0.63 0.36 0.00 0.86 0.00 0.00 177.93 179.79 1p6i h ALA 408 N 1.37 1.24 -0.15 2.45 0.00 -0.50 0.20 119.26 123.87 1p6i h ALA 408 Ca -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1p6i h ALA 408 Cb 1.29 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1p6i h ALA 408 CO 0.08 0.59 -0.29 2.35 0.00 0.00 0.00 179.25 181.98 1p6i h TRP 409 N 1.05 0.58 -0.86 0.00 7.01 -1.22 -2.38 115.95 120.13 1p6i h TRP 409 Ca 0.26 -0.21 0.14 0.00 2.11 0.00 0.00 58.89 61.19 1p6i h TRP 409 Cb 0.10 -0.11 -0.07 0.00 -2.10 0.00 0.00 29.16 26.98 1p6i h TRP 409 CO 0.01 0.92 0.56 -0.09 -2.79 0.00 0.00 178.44 177.05 1p6i h ARG 410 N 0.09 0.64 -0.01 2.65 2.43 -0.26 -1.26 114.38 118.65 1p6i h ARG 410 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1p6i h ARG 410 Cb 0.88 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1p6i h ARG 410 CO 0.06 0.43 -0.05 0.09 -1.51 0.00 0.00 179.97 178.99 1p6i n ASN 411 N -4.54 1.24 -4.56 -3.80 3.02 0.65 -4.80 115.26 102.47 1p6i n ASN 411 Ca 0.17 -1.31 -0.30 0.00 -0.03 0.00 0.00 54.58 53.11 1p6i n ASN 411 Cb 0.46 0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.60 1p6i n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p6i s ALA 412 N -2.11 1.85 0.29 5.41 0.00 -0.48 -4.72 121.76 122.00 1p6i s ALA 412 Ca 0.36 -1.43 0.31 0.00 0.00 0.00 0.00 51.96 51.19 1p6i s ALA 412 Cb 0.21 -4.51 1.67 0.00 0.00 0.00 0.00 23.12 20.49 1p6i s ALA 412 CO 0.38 -4.55 1.93 0.66 0.00 0.00 0.00 175.76 174.18 1p6i h SER 413 N 11.73 0.00 0.01 0.00 4.64 -1.87 -1.49 113.55 126.57 1p6i h SER 413 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1p6i h SER 413 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1p6i h SER 413 CO 1.23 0.00 -0.11 0.54 -0.87 0.00 0.00 176.83 177.62 1p6i n ARG 414 N -2.64 1.74 -3.44 4.77 1.74 -1.26 -0.51 116.66 117.07 1p6i n ARG 414 Ca -0.02 -1.29 -0.38 0.00 -0.77 0.00 0.00 57.85 55.39 1p6i n ARG 414 Cb 0.14 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.02 1p6i n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p6i n VAL 416 N 4.85 0.23 -1.09 0.00 3.14 -1.26 -3.90 118.33 120.30 1p6i n VAL 416 Ca -0.10 -0.14 -0.11 0.00 -2.96 0.00 0.00 64.34 61.03 1p6i n VAL 416 Cb 0.51 -0.29 0.27 0.00 -1.06 0.00 0.00 33.84 33.28 1p6i n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1p6i n GLY 417 N 1.41 3.89 0.00 7.55 0.00 -1.26 -4.26 105.19 112.52 1p6i n GLY 417 Ca 0.05 -1.02 0.07 0.00 0.00 0.00 0.00 46.02 45.12 1p6i n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p6i n ARG 418 N -0.43 0.15 0.27 1.61 1.74 -1.25 -2.31 116.66 116.43 1p6i n ARG 418 Ca 0.47 0.18 0.18 0.00 -0.77 0.00 0.00 57.85 57.91 1p6i n ARG 418 Cb 1.49 -1.50 0.87 0.00 -1.02 0.00 0.00 32.46 32.30 1p6i n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1p6i h ILE 419 N 0.00 0.00 -0.01 0.55 2.10 -1.88 -0.13 117.51 118.14 1p6i h ILE 419 Ca 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 1p6i h ILE 419 Cb 0.16 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 1p6i h ILE 419 CO 0.00 0.00 -0.10 0.00 -1.08 0.00 0.00 178.15 176.97 1p6i n GLN 420 N -2.84 1.32 -0.29 2.19 1.13 -0.98 -4.62 117.38 113.29 1p6i n GLN 420 Ca -0.01 -0.76 0.12 0.00 -1.94 0.00 0.00 57.00 54.41 1p6i n GLN 420 Cb 0.15 -1.48 0.26 0.00 0.11 0.00 0.00 30.24 29.28 1p6i n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1p6i h TRP 421 N 1.85 0.21 0.00 1.08 5.08 -1.21 -1.65 115.95 121.30 1p6i h TRP 421 Ca 0.00 0.05 0.00 0.00 1.08 0.00 0.00 58.89 60.02 1p6i h TRP 421 Cb 0.49 0.05 0.00 0.00 -3.00 0.00 0.00 29.16 26.70 1p6i h TRP 421 CO 0.00 -0.25 0.00 -1.13 -1.28 0.00 0.00 178.44 175.78 1p6i n SER 422 N -5.29 0.06 -1.73 0.11 3.41 -1.26 -3.35 113.62 105.57 1p6i n SER 422 Ca 0.20 0.51 0.02 0.00 -0.26 0.00 0.00 58.87 59.34 1p6i n SER 422 Cb 0.65 -0.52 0.32 0.00 -0.26 0.00 0.00 64.21 64.40 1p6i n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1p6i n LYS 423 N -1.56 4.00 -2.38 4.33 5.02 -0.62 -4.97 118.16 121.98 1p6i n LYS 423 Ca 0.04 -2.64 -0.42 0.00 -2.02 0.00 0.00 58.31 53.27 1p6i n LYS 423 Cb 0.23 -2.13 -0.03 0.00 -0.02 0.00 0.00 35.03 33.08 1p6i n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1p6i s LEU 424 N -2.38 4.37 -0.27 -0.35 2.96 -1.21 -4.72 118.68 117.07 1p6i s LEU 424 Ca 0.46 2.06 -0.20 0.00 -0.22 0.00 0.00 54.13 56.23 1p6i s LEU 424 Cb 0.36 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 1p6i s LEU 424 CO 0.13 -0.51 0.64 -1.58 -1.32 0.00 0.00 176.35 173.71 1p6i s GLN 425 N 1.10 4.07 -0.26 1.98 2.00 -0.87 -4.98 119.66 122.70 1p6i s GLN 425 Ca 0.60 0.51 -0.10 0.00 -2.00 0.00 0.00 55.36 54.37 1p6i s GLN 425 Cb -0.31 -3.67 -0.04 0.00 0.80 0.00 0.00 33.01 29.79 1p6i s GLN 425 CO 0.29 -0.45 0.14 0.08 -0.50 0.00 0.00 175.29 174.85 1p6i s VAL 426 N 2.54 4.99 -0.34 1.34 1.01 -1.26 -1.12 120.40 127.55 1p6i s VAL 426 Ca 0.26 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1p6i s VAL 426 Cb -0.15 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1p6i s VAL 426 CO 0.09 0.30 0.21 -0.36 0.00 0.00 0.00 175.10 175.34 1p6i s PHE 427 N 1.54 3.21 -0.64 5.22 0.08 0.11 -4.98 117.98 122.53 1p6i s PHE 427 Ca 0.07 -0.54 -0.28 0.00 0.12 0.00 0.00 56.93 56.30 1p6i s PHE 427 Cb -0.15 -2.43 0.02 0.00 -0.57 0.00 0.00 43.02 39.89 1p6i s PHE 427 CO 0.07 -0.48 1.34 0.34 -0.10 0.00 0.00 175.22 176.39 1p6i s ASP 428 N 1.64 6.16 -0.26 1.36 -1.08 -1.26 -0.81 116.67 122.41 1p6i s ASP 428 Ca 0.05 -0.04 0.12 0.00 -0.52 0.00 0.00 52.55 52.16 1p6i s ASP 428 Cb -0.18 -2.55 0.64 0.00 -1.46 0.00 0.00 42.92 39.38 1p6i s ASP 428 CO 0.08 -1.75 1.62 0.00 0.52 0.00 0.00 175.17 175.64 1p6i n ALA 429 N 9.44 3.95 0.27 3.66 0.00 0.77 -4.61 120.51 133.99 1p6i n ALA 429 Ca 0.08 -2.43 0.10 0.00 0.00 0.00 0.00 53.44 51.20 1p6i n ALA 429 Cb 0.49 -0.98 0.48 0.00 0.00 0.00 0.00 19.45 19.44 1p6i n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1p6i n ARG 430 N -0.37 0.14 -0.08 0.00 1.74 -0.99 -1.57 116.66 115.54 1p6i n ARG 430 Ca 0.32 0.51 0.12 0.00 -0.77 0.00 0.00 57.85 58.03 1p6i n ARG 430 Cb 1.15 -1.85 0.33 0.00 -1.02 0.00 0.00 32.46 31.07 1p6i n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1p6i n ASP 431 N -2.13 2.26 -4.77 0.55 5.75 -1.26 -4.47 116.55 112.47 1p6i n ASP 431 Ca 0.01 -1.78 -0.38 0.00 -0.01 0.00 0.00 54.79 52.63 1p6i n ASP 431 Cb 0.12 -0.10 -0.02 0.00 -1.03 0.00 0.00 41.12 40.09 1p6i n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1p6i n THR 433 N -0.12 0.00 -4.36 0.00 -2.24 -1.26 -4.78 114.28 101.53 1p6i n THR 433 Ca 0.05 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.65 1p6i n THR 433 Cb 0.47 0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 68.82 1p6i n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1p6i s THR 434 N -0.95 0.69 0.31 4.28 -4.23 -1.26 -4.62 115.64 109.86 1p6i s THR 434 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1p6i s THR 434 Cb 0.00 -2.65 0.06 0.00 1.34 0.00 0.00 72.50 71.24 1p6i s THR 434 CO 0.00 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.82 1p6i h ALA 435 N 2.28 1.18 -0.22 3.99 0.00 -1.91 -0.40 119.26 124.18 1p6i h ALA 435 Ca -0.38 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.00 1p6i h ALA 435 Cb 1.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1p6i h ALA 435 CO 0.62 0.55 -0.48 0.45 0.00 0.00 0.00 179.25 180.39 1p6i h HIS 436 N 0.19 0.72 -0.74 0.00 3.86 -1.96 0.18 115.15 117.39 1p6i h HIS 436 Ca 0.02 -0.23 -0.04 0.00 -1.16 0.00 0.00 60.37 58.96 1p6i h HIS 436 Cb 0.75 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 1p6i h HIS 436 CO 0.01 0.96 0.32 0.78 0.86 0.00 0.00 177.93 180.86 1p6i h GLY 437 N 1.03 1.17 0.99 2.45 0.00 -1.82 0.30 103.07 107.19 1p6i h GLY 437 Ca 0.02 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 1p6i h GLY 437 CO 0.09 0.58 0.01 -0.33 0.00 0.00 0.00 176.54 176.90 1p6i h MET 438 N 1.05 0.82 -0.54 4.80 0.00 -0.68 -0.86 114.93 119.52 1p6i h MET 438 Ca 0.25 -0.25 0.01 0.00 0.00 0.00 0.00 59.70 59.71 1p6i h MET 438 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 31.60 31.66 1p6i h MET 438 CO -0.03 0.86 0.35 0.35 0.00 0.00 0.00 176.91 178.44 1p6i h PHE 439 N 0.67 0.65 -0.15 -0.22 3.04 -0.18 0.16 116.94 120.91 1p6i h PHE 439 Ca 0.13 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.10 1p6i h PHE 439 Cb 0.48 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.77 1p6i h PHE 439 CO 0.04 0.40 0.10 -0.97 -2.02 0.00 0.00 178.31 175.85 1p6i h ASN 440 N 0.70 0.16 -0.78 0.41 -1.24 -0.69 0.12 115.58 114.26 1p6i h ASN 440 Ca 0.21 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 1p6i h ASN 440 Cb -0.04 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 38.93 1p6i h ASN 440 CO -0.06 0.12 0.47 1.88 -1.29 0.00 0.00 177.43 178.55 1p6i h TYR 441 N 0.20 1.02 -0.29 0.67 -1.99 -0.77 -1.41 116.97 114.39 1p6i h TYR 441 Ca 0.05 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.74 1p6i h TYR 441 Cb -0.02 -0.34 -0.01 0.00 2.00 0.00 0.00 36.73 38.36 1p6i h TYR 441 CO -0.07 0.68 -0.00 0.82 -0.00 0.00 0.00 178.16 179.59 1p6i h ILE 442 N 1.06 1.26 -0.56 -2.88 2.04 -0.24 -0.16 117.51 118.02 1p6i h ILE 442 Ca 0.28 -0.94 0.06 0.00 1.00 0.00 0.00 64.86 65.25 1p6i h ILE 442 Cb -0.05 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 1p6i h ILE 442 CO -0.05 0.30 0.28 0.00 0.00 0.00 0.00 178.15 178.68 1p6i h ASN 444 N 0.52 0.82 0.20 0.00 2.35 -0.97 0.25 115.58 118.76 1p6i h ASN 444 Ca 0.26 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1p6i h ASN 444 Cb 0.19 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1p6i h ASN 444 CO -0.19 0.69 -0.10 -0.74 -1.65 0.00 0.00 177.43 175.45 1p6i h HIS 445 N 0.92 -0.25 -0.45 1.19 -0.00 0.35 -0.56 115.15 116.35 1p6i h HIS 445 Ca 0.23 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.67 1p6i h HIS 445 Cb 0.08 0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 27.51 1p6i h HIS 445 CO 0.01 0.05 0.08 0.28 -0.00 0.00 0.00 177.93 178.34 1p6i h VAL 446 N -0.55 0.74 -0.42 5.26 2.07 -0.06 0.24 116.25 123.55 1p6i h VAL 446 Ca -0.03 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1p6i h VAL 446 Cb 0.41 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1p6i h VAL 446 CO 0.05 0.04 0.07 0.50 0.02 0.00 0.00 177.57 178.25 1p6i h LYS 447 N 0.21 0.68 -0.07 1.57 3.64 -0.94 -0.30 116.57 121.37 1p6i h LYS 447 Ca 0.22 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1p6i h LYS 447 Cb 0.29 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1p6i h LYS 447 CO -0.30 0.72 0.03 -0.92 -2.27 0.00 0.00 179.45 176.71 1p6i h TYR 448 N 0.54 0.09 -0.36 1.91 3.20 -0.57 -2.08 116.97 119.71 1p6i h TYR 448 Ca 0.13 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 1p6i h TYR 448 Cb 0.36 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1p6i h TYR 448 CO 0.02 0.17 -0.27 0.00 -1.64 0.00 0.00 178.16 176.45 1p6i h ALA 449 N 0.91 0.85 -0.46 1.82 0.00 -0.50 -3.14 119.26 118.74 1p6i h ALA 449 Ca 0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 1p6i h ALA 449 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1p6i h ALA 449 CO -0.00 0.64 0.11 1.15 0.00 0.00 0.00 179.25 181.14 1p6i h THR 450 N 0.64 1.24 -6.77 0.00 2.02 -0.99 0.16 112.91 109.20 1p6i h THR 450 Ca 0.08 -0.83 -0.56 0.00 0.77 0.00 0.00 66.41 65.87 1p6i h THR 450 Cb 0.79 0.90 -0.14 0.00 -1.74 0.00 0.00 68.15 67.96 1p6i h THR 450 CO 0.06 0.30 -0.92 -3.20 0.37 0.00 0.00 175.52 172.13 1p6i n ASN 451 N -4.49 -0.06 -1.57 4.18 4.05 -0.79 -0.18 115.26 116.40 1p6i n ASN 451 Ca 0.01 -1.12 -0.19 0.00 0.45 0.00 0.00 54.58 53.73 1p6i n ASN 451 Cb 0.22 -2.41 -0.08 0.00 1.23 0.00 0.00 39.78 38.74 1p6i n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1p6i n LYS 452 N -4.46 -1.42 0.00 1.20 5.02 -1.26 -1.66 118.16 115.57 1p6i n LYS 452 Ca -0.28 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1p6i n LYS 452 Cb 0.67 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 1p6i n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p6i n GLY 453 N -0.37 1.91 3.22 0.72 0.00 0.75 -4.94 105.19 106.48 1p6i n GLY 453 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1p6i n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1p6i n ASN 454 N 0.00 5.38 -4.61 1.61 4.05 -0.66 -0.87 115.26 120.16 1p6i n ASN 454 Ca 0.00 -3.08 -0.43 0.00 0.45 0.00 0.00 54.58 51.53 1p6i n ASN 454 Cb 0.00 -1.48 -0.00 0.00 1.23 0.00 0.00 39.78 39.53 1p6i n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1p6i n LEU 455 N 4.15 2.26 -4.01 1.20 4.77 -1.21 -4.43 117.00 119.73 1p6i n LEU 455 Ca 0.34 1.11 -0.24 0.00 -0.03 0.00 0.00 56.01 57.20 1p6i n LEU 455 Cb 0.39 -1.33 -0.16 0.00 -2.33 0.00 0.00 43.42 39.98 1p6i n LEU 455 CO 0.66 -1.38 -0.46 -0.13 -1.33 0.00 0.00 177.39 174.75 1p6i s ARG 456 N -1.78 1.57 0.33 3.23 0.52 0.56 -5.01 118.95 118.37 1p6i s ARG 456 Ca 0.60 -0.37 -0.29 0.00 -0.52 0.00 0.00 55.73 55.15 1p6i s ARG 456 Cb -0.62 -1.32 -0.10 0.00 0.52 0.00 0.00 34.95 33.43 1p6i s ARG 456 CO 0.59 0.02 1.39 -1.12 0.02 0.00 0.00 175.30 176.20 1p6i s SER 457 N 0.67 6.62 0.17 0.23 0.01 -1.26 -4.39 113.70 115.75 1p6i s SER 457 Ca -0.14 2.80 -0.21 0.00 1.31 0.00 0.00 55.95 59.71 1p6i s SER 457 Cb -0.15 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.48 1p6i s SER 457 CO 0.03 -0.67 0.57 0.00 0.41 0.00 0.00 173.24 173.59 1p6i s ALA 458 N -0.93 -1.37 -0.08 1.44 0.00 -0.24 -2.05 121.76 118.53 1p6i s ALA 458 Ca 0.52 0.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.62 1p6i s ALA 458 Cb -0.42 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1p6i s ALA 458 CO 0.54 -0.79 0.22 -1.50 0.00 0.00 0.00 175.76 174.23 1p6i s ILE 459 N -3.80 0.00 -0.17 0.00 2.07 -0.28 -0.65 121.20 118.37 1p6i s ILE 459 Ca 0.04 -0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.26 1p6i s ILE 459 Cb -0.01 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.27 1p6i s ILE 459 CO -0.09 -0.01 -0.15 -0.89 -1.91 0.00 0.00 174.94 171.89 1p6i s THR 460 N 0.08 2.55 -0.35 4.00 2.01 -0.67 0.08 115.64 123.34 1p6i s THR 460 Ca -0.00 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 1p6i s THR 460 Cb -0.02 -2.09 0.03 0.00 0.01 0.00 0.00 72.50 70.44 1p6i s THR 460 CO 0.00 0.51 0.15 -0.63 -0.69 0.00 0.00 174.62 173.96 1p6i s ILE 461 N 1.10 4.15 0.77 1.82 1.01 0.01 -3.32 121.20 126.73 1p6i s ILE 461 Ca 0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.57 1p6i s ILE 461 Cb -0.14 -3.33 0.09 0.00 0.01 0.00 0.00 42.46 39.09 1p6i s ILE 461 CO -0.05 -0.19 1.10 -0.36 0.00 0.00 0.00 174.94 175.44 1p6i s PHE 462 N 1.47 2.69 0.23 3.97 0.08 -0.69 -0.17 117.98 125.57 1p6i s PHE 462 Ca 0.00 0.48 -0.30 0.00 0.12 0.00 0.00 56.93 57.24 1p6i s PHE 462 Cb -0.19 -3.39 -0.15 0.00 -0.57 0.00 0.00 43.02 38.71 1p6i s PHE 462 CO 0.05 -1.69 0.93 -2.30 -0.10 0.00 0.00 175.22 172.10 1p6i n PRO 463 N -3.14 0.93 -1.19 0.24 -0.02 -1.25 -4.66 135.00 125.90 1p6i n PRO 463 Ca 0.09 0.33 -0.30 0.00 -2.02 0.00 0.00 63.50 61.60 1p6i n PRO 463 Cb 0.60 -1.64 0.13 0.00 -0.02 0.00 0.00 33.50 32.58 1p6i n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1p6i s GLN 464 N -1.08 1.41 0.51 -0.52 -2.07 -1.26 -4.54 119.66 112.10 1p6i s GLN 464 Ca 0.64 0.90 -0.21 0.00 -1.82 0.00 0.00 55.36 54.87 1p6i s GLN 464 Cb -0.81 -1.82 -0.06 0.00 -1.09 0.00 0.00 33.01 29.23 1p6i s GLN 464 CO 0.57 -2.16 1.20 0.50 -1.32 0.00 0.00 175.29 174.08 1p6i s ARG 465 N -4.91 3.47 0.00 9.60 3.52 0.17 -4.91 118.95 125.89 1p6i s ARG 465 Ca 0.63 1.83 0.00 0.00 -0.13 0.00 0.00 55.73 58.06 1p6i s ARG 465 Cb -0.18 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.97 1p6i s ARG 465 CO 0.57 -0.80 0.00 0.25 -0.81 0.00 0.00 175.30 174.50 1p6i n THR 466 N -0.89 0.00 -0.88 4.11 -2.24 -1.26 -4.79 114.28 108.33 1p6i n THR 466 Ca 0.10 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.96 1p6i n THR 466 Cb 0.48 -0.28 0.24 0.00 -2.10 0.00 0.00 70.33 68.68 1p6i n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1p6i n ASP 467 N -0.48 3.71 0.00 3.42 5.68 -1.26 -4.95 116.55 122.66 1p6i n ASP 467 Ca 0.00 -2.87 0.00 0.00 -0.50 0.00 0.00 54.79 51.42 1p6i n ASP 467 Cb 0.00 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 1p6i n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p6i n GLY 468 N -0.39 1.27 0.59 6.12 0.00 -1.26 -4.72 105.19 106.80 1p6i n GLY 468 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 1p6i n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p6i n LYS 469 N -2.00 1.60 -2.51 1.61 5.02 -1.26 -4.42 118.16 116.19 1p6i n LYS 469 Ca 0.00 -1.26 -0.17 0.00 -2.02 0.00 0.00 58.31 54.85 1p6i n LYS 469 Cb 0.00 -1.35 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1p6i n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1p6i n HIS 470 N 0.51 2.31 -3.03 2.13 8.25 -1.26 -4.06 115.22 120.08 1p6i n HIS 470 Ca 0.09 -2.76 -0.39 0.00 -0.26 0.00 0.00 57.72 54.40 1p6i n HIS 470 Cb 0.43 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 1p6i n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1p6i s ASP 471 N -3.44 7.30 -0.03 0.41 1.11 -1.26 -4.19 116.67 116.56 1p6i s ASP 471 Ca 0.39 1.54 -0.16 0.00 0.18 0.00 0.00 52.55 54.50 1p6i s ASP 471 Cb 0.41 -2.47 -0.05 0.00 1.07 0.00 0.00 42.92 41.88 1p6i s ASP 471 CO -0.06 0.17 0.45 -0.36 1.18 0.00 0.00 175.17 176.55 1p6i s PHE 472 N -0.88 3.67 -0.13 4.23 0.40 -1.26 -2.03 117.98 121.98 1p6i s PHE 472 Ca 0.35 1.00 -0.13 0.00 -0.60 0.00 0.00 56.93 57.56 1p6i s PHE 472 Cb -0.22 -2.40 0.03 0.00 0.51 0.00 0.00 43.02 40.95 1p6i s PHE 472 CO 0.24 0.49 0.36 1.03 0.70 0.00 0.00 175.22 178.04 1p6i s ARG 473 N -0.56 0.43 -0.32 0.44 1.81 -0.45 -2.98 118.95 117.33 1p6i s ARG 473 Ca 0.25 0.48 -0.11 0.00 -1.72 0.00 0.00 55.73 54.63 1p6i s ARG 473 Cb -0.17 0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.53 1p6i s ARG 473 CO 0.13 -0.05 0.19 0.08 -0.68 0.00 0.00 175.30 174.97 1p6i s VAL 474 N 0.14 4.95 0.32 3.52 1.01 -1.26 -1.07 120.40 128.01 1p6i s VAL 474 Ca -0.00 -0.28 0.19 0.00 0.00 0.00 0.00 61.98 61.89 1p6i s VAL 474 Cb -0.03 -3.51 0.17 0.00 0.00 0.00 0.00 36.38 33.01 1p6i s VAL 474 CO 0.01 0.05 1.87 -0.50 0.00 0.00 0.00 175.10 176.53 1p6i h TRP 475 N 8.41 0.00 -4.23 5.22 4.06 -1.55 -3.41 115.95 124.45 1p6i h TRP 475 Ca -0.32 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.11 1p6i h TRP 475 Cb 1.16 0.00 0.15 0.00 -1.00 0.00 0.00 29.16 29.47 1p6i h TRP 475 CO 0.66 0.29 0.34 -0.80 -3.56 0.00 0.00 178.44 175.37 1p6i s ASN 476 N -6.55 4.11 0.09 -3.49 -0.87 -1.26 -4.92 114.94 102.05 1p6i s ASN 476 Ca -0.02 2.16 0.15 0.00 -1.57 0.00 0.00 52.86 53.57 1p6i s ASN 476 Cb 0.13 -2.56 -0.12 0.00 -0.02 0.00 0.00 41.25 38.67 1p6i s ASN 476 CO 0.67 -2.31 0.97 0.77 -2.57 0.00 0.00 177.10 174.63 1p6i h SER 477 N -0.77 0.00 -4.52 -1.22 4.64 -1.91 -3.34 113.55 106.43 1p6i h SER 477 Ca -0.46 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.70 1p6i h SER 477 Cb 1.27 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.13 1p6i h SER 477 CO 0.49 0.69 -0.51 -1.10 -0.87 0.00 0.00 176.83 175.52 1p6i s GLN 478 N -2.85 0.37 0.39 4.77 -0.21 -1.26 -1.45 119.66 119.42 1p6i s GLN 478 Ca -0.01 -0.17 0.12 0.00 0.02 0.00 0.00 55.36 55.32 1p6i s GLN 478 Cb 0.08 0.16 0.93 0.00 1.00 0.00 0.00 33.01 35.18 1p6i s GLN 478 CO 0.80 -0.08 1.90 -0.07 -2.12 0.00 0.00 175.29 175.72 1p6i h LEU 479 N 4.91 0.52 -7.71 2.90 3.38 -1.17 -3.38 115.31 114.77 1p6i h LEU 479 Ca -0.29 0.03 -0.58 0.00 0.09 0.00 0.00 57.88 57.14 1p6i h LEU 479 Cb 1.20 -0.07 -0.37 0.00 0.09 0.00 0.00 40.66 41.50 1p6i h LEU 479 CO 0.41 0.27 -0.80 -0.63 0.09 0.00 0.00 178.44 177.77 1p6i s ILE 480 N -5.54 1.31 0.10 1.22 1.01 -1.26 -4.86 121.20 113.19 1p6i s ILE 480 Ca -0.09 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 1p6i s ILE 480 Cb 0.21 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1p6i s ILE 480 CO 0.78 0.20 0.24 -0.13 0.00 0.00 0.00 174.94 176.03 1p6i s ARG 481 N 1.55 0.92 0.12 2.79 0.52 -1.26 -4.83 118.95 118.76 1p6i s ARG 481 Ca 0.01 -0.93 -0.10 0.00 -0.52 0.00 0.00 55.73 54.18 1p6i s ARG 481 Cb -0.15 0.37 -0.06 0.00 0.52 0.00 0.00 34.95 35.63 1p6i s ARG 481 CO -0.08 -0.31 0.45 0.71 0.02 0.00 0.00 175.30 176.08 1p6i s TYR 482 N -3.86 3.56 0.73 -0.53 4.12 -1.26 -1.04 117.35 119.07 1p6i s TYR 482 Ca 0.06 0.84 -0.11 0.00 0.02 0.00 0.00 57.07 57.87 1p6i s TYR 482 Cb 0.04 -2.20 0.03 0.00 -1.52 0.00 0.00 41.96 38.31 1p6i s TYR 482 CO -0.10 0.46 1.07 0.00 0.02 0.00 0.00 175.55 177.00 1p6i s ALA 483 N -1.49 2.51 -0.03 3.71 0.00 -0.01 -4.46 121.76 122.00 1p6i s ALA 483 Ca 0.37 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.39 1p6i s ALA 483 Cb -0.14 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1p6i s ALA 483 CO 0.19 -1.42 -0.01 0.20 0.00 0.00 0.00 175.76 174.71 1p6i s GLY 484 N -3.74 0.28 -0.00 0.00 0.00 -1.25 -1.73 107.32 100.88 1p6i s GLY 484 Ca 0.59 0.08 0.06 0.00 0.00 0.00 0.00 44.72 45.45 1p6i s GLY 484 CO 0.55 0.48 -0.18 -0.19 0.00 0.00 0.00 173.10 173.76 1p6i s TYR 485 N 0.87 1.57 -0.29 1.90 1.51 0.67 -4.06 117.35 119.50 1p6i s TYR 485 Ca -0.09 -0.31 -0.27 0.00 -1.01 0.00 0.00 57.07 55.39 1p6i s TYR 485 Cb -0.13 -0.99 0.01 0.00 -0.11 0.00 0.00 41.96 40.74 1p6i s TYR 485 CO -0.01 -0.01 0.95 0.15 -1.11 0.00 0.00 175.55 175.52 1p6i s LYS 486 N -0.53 4.08 0.37 -0.62 1.02 -1.26 -0.05 119.74 122.75 1p6i s LYS 486 Ca 0.06 0.96 -0.00 0.00 0.02 0.00 0.00 55.97 57.01 1p6i s LYS 486 Cb -0.07 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 1p6i s LYS 486 CO -0.00 -0.74 0.59 -0.65 -0.92 0.00 0.00 175.35 173.62 1p6i s GLN 487 N 3.27 3.48 0.24 1.68 -0.21 -0.67 -4.96 119.66 122.50 1p6i s GLN 487 Ca 0.40 -0.25 -0.04 0.00 0.02 0.00 0.00 55.36 55.48 1p6i s GLN 487 Cb -0.14 -2.61 0.43 0.00 1.00 0.00 0.00 33.01 31.69 1p6i s GLN 487 CO 0.12 0.08 1.76 -1.35 -2.12 0.00 0.00 175.29 173.78 1p6i h PRO 488 N 0.66 0.54 -0.30 2.91 0.11 -1.96 0.28 132.00 134.24 1p6i h PRO 488 Ca -0.49 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.67 1p6i h PRO 488 Cb 1.22 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1p6i h PRO 488 CO 0.61 0.35 0.69 0.22 -0.21 0.00 0.00 178.00 179.66 1p6i h ASP 489 N 0.55 0.00 0.00 -2.05 1.82 -2.02 -3.43 116.42 111.29 1p6i h ASP 489 Ca 0.40 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.04 1p6i h ASP 489 Cb 0.54 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1p6i h ASP 489 CO -0.34 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 177.90 1p6i n GLY 490 N -1.45 1.99 3.15 -0.78 0.00 1.00 -5.04 105.19 104.06 1p6i n GLY 490 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1p6i n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p6i n SER 491 N 0.00 -1.47 -4.11 1.61 3.41 -1.25 -4.75 113.62 107.05 1p6i n SER 491 Ca 0.00 -1.17 -0.28 0.00 -0.26 0.00 0.00 58.87 57.16 1p6i n SER 491 Cb 0.00 -0.88 -0.17 0.00 -0.26 0.00 0.00 64.21 62.90 1p6i n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1p6i s THR 492 N -2.94 1.55 -0.23 6.66 2.01 -1.26 -1.67 115.64 119.76 1p6i s THR 492 Ca 0.63 -0.72 -0.12 0.00 0.31 0.00 0.00 61.69 61.79 1p6i s THR 492 Cb -0.05 -1.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.05 1p6i s THR 492 CO 0.47 0.45 0.22 -0.22 -0.69 0.00 0.00 174.62 174.85 1p6i s LEU 493 N 0.48 4.13 0.00 4.42 0.20 0.92 -4.93 118.68 123.91 1p6i s LEU 493 Ca -0.16 0.22 0.00 0.00 0.69 0.00 0.00 54.13 54.88 1p6i s LEU 493 Cb -0.16 -2.21 0.00 0.00 -0.43 0.00 0.00 46.19 43.39 1p6i s LEU 493 CO 0.06 0.04 0.00 0.61 -0.29 0.00 0.00 176.35 176.77 1p6i n GLY 494 N 4.14 -0.14 3.54 7.98 0.00 -1.26 -0.24 105.19 119.21 1p6i n GLY 494 Ca -0.13 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1p6i n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1p6i s ASP 495 N -4.00 6.42 0.45 1.61 -1.08 -0.71 -4.78 116.67 114.58 1p6i s ASP 495 Ca 0.00 -0.12 0.17 0.00 -0.52 0.00 0.00 52.55 52.08 1p6i s ASP 495 Cb 0.00 -2.43 1.11 0.00 -1.46 0.00 0.00 42.92 40.15 1p6i s ASP 495 CO 0.00 -1.08 1.96 -0.65 0.52 0.00 0.00 175.17 175.92 1p6i h PRO 496 N 9.14 0.32 -0.09 4.34 0.11 -1.82 -1.77 132.00 142.23 1p6i h PRO 496 Ca -0.25 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.87 1p6i h PRO 496 Cb 1.08 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1p6i h PRO 496 CO 1.03 0.21 0.10 0.00 -0.21 0.00 0.00 178.00 179.14 1p6i h ALA 497 N 1.68 1.71 -0.41 -0.75 0.00 -1.92 -2.57 119.26 117.00 1p6i h ALA 497 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1p6i h ALA 497 Cb 0.77 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1p6i h ALA 497 CO -0.08 -0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.11 1p6i n ASN 498 N -3.88 3.44 -0.13 0.00 3.02 -0.66 -4.70 115.26 112.34 1p6i n ASN 498 Ca -0.01 -2.24 -0.05 0.00 -0.03 0.00 0.00 54.58 52.25 1p6i n ASN 498 Cb 0.20 -0.36 0.02 0.00 -0.61 0.00 0.00 39.78 39.03 1p6i n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1p6i h VAL 499 N 2.47 0.41 -0.12 2.41 2.07 -1.50 0.11 116.25 122.10 1p6i h VAL 499 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1p6i h VAL 499 Cb 0.98 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1p6i h VAL 499 CO 0.07 0.00 0.08 -0.61 0.02 0.00 0.00 177.57 177.13 1p6i h GLN 500 N -0.11 0.16 -0.64 1.57 4.15 -1.84 -2.19 115.11 116.22 1p6i h GLN 500 Ca 0.21 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 1p6i h GLN 500 Cb 0.43 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 1p6i h GLN 500 CO -0.50 0.13 0.24 0.35 -1.93 0.00 0.00 178.83 177.12 1p6i h PHE 501 N 0.15 0.99 -0.63 3.99 3.57 -1.79 -2.19 116.94 121.04 1p6i h PHE 501 Ca 0.04 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.55 1p6i h PHE 501 Cb 0.00 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.41 1p6i h PHE 501 CO -0.06 0.79 0.42 1.15 -2.23 0.00 0.00 178.31 178.37 1p6i h THR 502 N 0.91 0.95 -0.00 4.41 2.02 -0.58 -1.11 112.91 119.51 1p6i h THR 502 Ca 0.21 -0.18 -0.21 0.00 0.77 0.00 0.00 66.41 67.00 1p6i h THR 502 Cb 0.23 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1p6i h THR 502 CO -0.01 0.10 -0.90 -0.33 0.37 0.00 0.00 175.52 174.74 1p6i h GLU 503 N 0.53 0.32 0.00 6.66 5.08 -0.90 -2.62 114.58 123.64 1p6i h GLU 503 Ca 0.28 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1p6i h GLU 503 Cb 0.41 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1p6i h GLU 503 CO -0.09 1.03 -0.01 0.82 -1.00 0.00 0.00 179.01 179.76 1p6i h ILE 504 N 0.18 0.04 0.05 3.13 2.04 -0.63 0.79 117.51 123.11 1p6i h ILE 504 Ca -0.06 -0.47 -0.12 0.00 1.00 0.00 0.00 64.86 65.21 1p6i h ILE 504 Cb 1.53 1.45 0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1p6i h ILE 504 CO 0.15 0.01 -0.48 0.00 0.00 0.00 0.00 178.15 177.83 1p6i h ILE 506 N -0.46 0.29 0.00 0.00 1.08 -1.01 0.10 117.51 117.52 1p6i h ILE 506 Ca -0.07 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 1p6i h ILE 506 Cb 1.30 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1p6i h ILE 506 CO 0.09 0.01 0.12 1.67 -0.69 0.00 0.00 178.15 179.34 1p6i n GLN 507 N -5.49 0.00 -0.00 2.37 7.27 0.27 0.49 117.38 122.29 1p6i n GLN 507 Ca -0.14 0.25 0.03 0.00 0.07 0.00 0.00 57.00 57.22 1p6i n GLN 507 Cb 0.39 -1.62 -0.05 0.00 2.41 0.00 0.00 30.24 31.38 1p6i n GLN 507 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1p6i n GLN 508 N -1.21 2.99 0.00 3.69 -0.06 -0.31 -5.02 117.38 117.46 1p6i n GLN 508 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 1p6i n GLN 508 Cb 0.12 -0.96 0.00 0.00 -4.06 0.00 0.00 30.24 25.34 1p6i n GLN 508 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1p6i n GLY 509 N 1.52 2.83 3.39 1.69 0.00 0.18 -4.99 105.19 109.81 1p6i n GLY 509 Ca 0.00 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 1p6i n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1p6i n TRP 510 N 0.00 -0.98 -3.55 1.61 -0.00 -0.44 -4.90 117.44 109.17 1p6i n TRP 510 Ca 0.00 0.71 -0.39 0.00 -0.00 0.00 0.00 57.50 57.82 1p6i n TRP 510 Cb 0.00 -1.92 -0.05 0.00 -0.00 0.00 0.00 31.31 29.34 1p6i n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1p6i s LYS 511 N -1.21 3.36 0.22 5.87 1.02 -1.26 -4.43 119.74 123.30 1p6i s LYS 511 Ca 0.62 -3.01 -0.32 0.00 0.02 0.00 0.00 55.97 53.28 1p6i s LYS 511 Cb -0.71 -4.09 -0.12 0.00 -0.52 0.00 0.00 37.83 32.39 1p6i s LYS 511 CO 0.59 -1.25 1.68 0.00 -0.92 0.00 0.00 175.35 175.46 1p6i n ALA 512 N 2.86 2.62 1.76 5.17 0.00 -1.26 -4.88 120.51 126.78 1p6i n ALA 512 Ca 0.18 0.40 0.14 0.00 0.00 0.00 0.00 53.44 54.16 1p6i n ALA 512 Cb 0.39 -2.49 0.83 0.00 0.00 0.00 0.00 19.45 18.17 1p6i n ALA 512 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1p6i n PRO 513 N 3.53 0.88 -3.76 0.00 -0.02 -1.26 -4.90 135.00 129.47 1p6i n PRO 513 Ca 0.15 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.40 1p6i n PRO 513 Cb 0.35 -1.49 0.02 0.00 -0.02 0.00 0.00 33.50 32.35 1p6i n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1p6i n ARG 514 N -0.99 -4.63 -3.88 -0.52 5.12 -1.26 -4.98 116.66 105.51 1p6i n ARG 514 Ca 0.21 0.58 -0.25 0.00 -1.93 0.00 0.00 57.85 56.45 1p6i n ARG 514 Cb 0.10 -5.07 -0.02 0.00 -1.16 0.00 0.00 32.46 26.31 1p6i n ARG 514 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1p6i s GLY 515 N -4.31 2.35 0.10 -0.13 0.00 -1.26 -5.04 107.32 99.03 1p6i s GLY 515 Ca 0.04 -1.43 0.04 0.00 0.00 0.00 0.00 44.72 43.37 1p6i s GLY 515 CO 0.83 -1.91 1.21 -0.09 0.00 0.00 0.00 173.10 173.14 1p6i h ARG 516 N 0.88 0.07 -2.06 2.90 9.65 -1.92 -3.38 114.38 120.51 1p6i h ARG 516 Ca -0.38 -0.12 -0.56 0.00 -1.10 0.00 0.00 59.98 57.82 1p6i h ARG 516 Cb 1.29 0.05 -0.40 0.00 -1.39 0.00 0.00 29.97 29.52 1p6i h ARG 516 CO 0.59 1.04 -0.97 1.19 2.80 0.00 0.00 179.97 184.62 1p6i n PHE 517 N -3.39 0.92 -3.36 2.20 3.01 -1.26 -4.13 117.46 111.45 1p6i n PHE 517 Ca -0.03 -3.76 -0.42 0.00 1.01 0.00 0.00 57.45 54.25 1p6i n PHE 517 Cb 0.97 -0.42 -0.09 0.00 -0.01 0.00 0.00 39.48 39.93 1p6i n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1p6i s ASP 518 N -1.80 6.19 -0.16 4.37 1.01 -1.26 -4.94 116.67 120.09 1p6i s ASP 518 Ca 0.38 -0.39 -0.30 0.00 0.71 0.00 0.00 52.55 52.95 1p6i s ASP 518 Cb 0.20 -2.21 -0.07 0.00 1.01 0.00 0.00 42.92 41.84 1p6i s ASP 518 CO -0.08 -0.44 2.13 0.52 0.21 0.00 0.00 175.17 177.51 1p6i n VAL 519 N 5.32 0.45 -0.67 -1.27 0.31 -1.26 -0.83 118.33 120.38 1p6i n VAL 519 Ca -0.08 -0.34 -0.30 0.00 -0.01 0.00 0.00 64.34 63.61 1p6i n VAL 519 Cb 0.49 -2.36 0.19 0.00 -0.91 0.00 0.00 33.84 31.25 1p6i n VAL 519 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1p6i s LEU 520 N 6.95 2.26 0.19 7.52 1.43 -0.21 -4.91 118.68 131.91 1p6i s LEU 520 Ca 0.98 1.98 -0.03 0.00 -1.03 0.00 0.00 54.13 56.03 1p6i s LEU 520 Cb -0.44 -4.23 -0.05 0.00 0.03 0.00 0.00 46.19 41.50 1p6i s LEU 520 CO 0.40 -3.40 0.41 -2.16 0.23 0.00 0.00 176.35 171.83 1p6i s PRO 521 N -4.60 3.58 0.31 1.29 0.04 -1.26 -4.77 135.00 129.58 1p6i s PRO 521 Ca 0.67 -0.17 -0.28 0.00 0.04 0.00 0.00 61.00 61.26 1p6i s PRO 521 Cb -0.23 -2.81 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 1p6i s PRO 521 CO 0.60 0.40 1.05 -0.51 0.04 0.00 0.00 177.00 178.58 1p6i s LEU 522 N -3.06 4.44 -0.39 -3.56 1.43 -0.21 -4.83 118.68 112.50 1p6i s LEU 522 Ca 0.41 2.14 0.04 0.00 -1.03 0.00 0.00 54.13 55.68 1p6i s LEU 522 Cb -0.11 -3.80 0.11 0.00 0.03 0.00 0.00 46.19 42.41 1p6i s LEU 522 CO 0.27 -0.19 0.12 -0.76 0.23 0.00 0.00 176.35 176.02 1p6i s LEU 523 N -1.77 4.51 -0.12 1.79 1.43 -1.26 -1.69 118.68 121.57 1p6i s LEU 523 Ca 0.48 -2.41 -0.07 0.00 -1.03 0.00 0.00 54.13 51.11 1p6i s LEU 523 Cb -0.28 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1p6i s LEU 523 CO 0.35 -0.33 0.12 -0.76 0.23 0.00 0.00 176.35 175.96 1p6i s LEU 524 N 0.56 4.27 -0.15 1.79 1.43 -0.24 -1.39 118.68 124.95 1p6i s LEU 524 Ca 0.13 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1p6i s LEU 524 Cb -0.21 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1p6i s LEU 524 CO -0.06 0.38 -0.18 -1.58 0.23 0.00 0.00 176.35 175.15 1p6i s GLN 525 N -0.88 2.62 -0.06 1.70 0.74 -0.24 -0.41 119.66 123.14 1p6i s GLN 525 Ca 0.14 -0.69 0.06 0.00 0.05 0.00 0.00 55.36 54.92 1p6i s GLN 525 Cb -0.12 -2.26 -0.01 0.00 1.10 0.00 0.00 33.01 31.72 1p6i s GLN 525 CO 0.03 -0.15 -0.24 0.00 -0.55 0.00 0.00 175.29 174.38 1p6i s ALA 526 N 1.21 2.09 -1.24 1.58 0.00 -1.26 -1.34 121.76 122.80 1p6i s ALA 526 Ca 0.01 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 50.90 1p6i s ALA 526 Cb -0.14 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.37 1p6i s ALA 526 CO -0.08 0.40 0.33 0.09 0.00 0.00 0.00 175.76 176.51 1p6i n ASN 527 N 2.96 -4.10 0.00 0.00 3.02 -1.25 -1.22 115.26 114.66 1p6i n ASN 527 Ca -0.17 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 1p6i n ASN 527 Cb 0.52 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 1p6i n ASN 527 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1p6i n GLY 528 N -1.09 2.98 3.41 7.41 0.00 -0.86 -4.38 105.19 112.66 1p6i n GLY 528 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1p6i n GLY 528 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p6i n ASN 529 N 0.00 -1.79 -4.76 1.61 3.02 -0.36 -4.91 115.26 108.08 1p6i n ASN 529 Ca 0.00 0.02 -0.37 0.00 -0.03 0.00 0.00 54.58 54.21 1p6i n ASN 529 Cb 0.00 -1.16 0.02 0.00 -0.61 0.00 0.00 39.78 38.02 1p6i n ASN 529 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1p6i s ASP 530 N -2.14 5.58 0.53 6.41 -0.00 -1.26 -4.32 116.67 121.46 1p6i s ASP 530 Ca 0.61 2.42 -0.19 0.00 -0.00 0.00 0.00 52.55 55.39 1p6i s ASP 530 Cb -0.19 -2.61 -0.07 0.00 -0.00 0.00 0.00 42.92 40.06 1p6i s ASP 530 CO 0.65 -1.33 1.09 -2.16 -0.00 0.00 0.00 175.17 173.42 1p6i s PRO 531 N -3.03 3.52 0.11 8.23 0.04 -1.26 -4.71 135.00 137.90 1p6i s PRO 531 Ca 0.71 1.47 0.10 0.00 0.04 0.00 0.00 61.00 63.33 1p6i s PRO 531 Cb -0.31 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1p6i s PRO 531 CO 0.36 -0.68 -0.27 -1.21 0.04 0.00 0.00 177.00 175.24 1p6i s GLU 532 N -3.35 1.48 0.33 4.56 2.02 0.45 -4.84 118.70 119.35 1p6i s GLU 532 Ca 0.70 -1.28 -0.08 0.00 0.02 0.00 0.00 54.97 54.32 1p6i s GLU 532 Cb -0.20 -1.89 -0.06 0.00 0.10 0.00 0.00 34.13 32.08 1p6i s GLU 532 CO 0.25 0.46 0.65 -0.51 0.02 0.00 0.00 175.26 176.13 1p6i s LEU 533 N -1.85 3.98 -0.23 1.80 1.43 -1.25 -1.08 118.68 121.49 1p6i s LEU 533 Ca 0.13 0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 54.01 1p6i s LEU 533 Cb -0.10 -3.77 0.07 0.00 0.03 0.00 0.00 46.19 42.42 1p6i s LEU 533 CO 0.05 -0.26 0.59 -0.36 0.23 0.00 0.00 176.35 176.60 1p6i s PHE 534 N -2.15 -0.81 -0.33 0.29 0.40 -0.68 -4.95 117.98 109.74 1p6i s PHE 534 Ca 0.48 1.75 -0.20 0.00 -0.60 0.00 0.00 56.93 58.36 1p6i s PHE 534 Cb -0.11 0.40 -0.00 0.00 0.51 0.00 0.00 43.02 43.82 1p6i s PHE 534 CO 0.28 -0.41 0.62 -1.14 0.70 0.00 0.00 175.22 175.27 1p6i s GLN 535 N 1.11 3.78 0.08 0.44 0.74 -1.26 -1.05 119.66 123.50 1p6i s GLN 535 Ca -0.06 0.14 -0.31 0.00 0.05 0.00 0.00 55.36 55.19 1p6i s GLN 535 Cb -0.06 -3.77 -0.09 0.00 1.10 0.00 0.00 33.01 30.19 1p6i s GLN 535 CO -0.11 -0.65 1.84 0.42 -0.55 0.00 0.00 175.29 176.24 1p6i s ILE 536 N 2.63 2.79 -0.47 -2.34 1.01 -1.26 -4.77 121.20 118.78 1p6i s ILE 536 Ca 0.24 0.12 -0.43 0.00 0.00 0.00 0.00 60.65 60.58 1p6i s ILE 536 Cb -0.15 -3.08 -0.18 0.00 0.01 0.00 0.00 42.46 39.06 1p6i s ILE 536 CO 0.13 -0.00 2.05 -2.65 0.00 0.00 0.00 174.94 174.47 1p6i n PRO 537 N 6.31 0.17 -0.40 2.79 -0.02 -1.26 -4.71 135.00 137.89 1p6i n PRO 537 Ca 0.18 0.05 0.33 0.00 -2.02 0.00 0.00 63.50 62.05 1p6i n PRO 537 Cb 0.40 -1.63 0.60 0.00 -0.02 0.00 0.00 33.50 32.84 1p6i n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1p6i h PRO 538 N 8.71 0.11 0.00 0.52 0.11 -1.94 1.76 132.00 141.27 1p6i h PRO 538 Ca -0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1p6i h PRO 538 Cb 1.40 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1p6i h PRO 538 CO 1.06 0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 178.07 1p6i n GLU 539 N -4.89 0.07 0.01 1.05 0.00 -1.26 -1.83 120.64 113.79 1p6i n GLU 539 Ca 0.36 0.41 0.11 0.00 0.00 0.00 0.00 57.16 58.04 1p6i n GLU 539 Cb 1.32 -1.65 -0.08 0.00 0.00 0.00 0.00 31.44 31.02 1p6i n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1p6i n LEU 540 N -1.78 0.47 -4.37 -1.84 4.77 0.60 -4.78 117.00 110.06 1p6i n LEU 540 Ca 0.02 -0.07 -0.45 0.00 -0.03 0.00 0.00 56.01 55.47 1p6i n LEU 540 Cb 0.12 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1p6i n LEU 540 CO 0.11 0.04 0.42 -0.69 -1.33 0.00 0.00 177.39 175.94 1p6i s VAL 541 N -3.30 4.87 0.06 4.08 1.01 -0.76 -4.75 120.40 121.61 1p6i s VAL 541 Ca -0.01 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 1p6i s VAL 541 Cb 0.14 -4.49 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1p6i s VAL 541 CO 0.86 -1.13 1.08 -0.22 0.00 0.00 0.00 175.10 175.69 1p6i s LEU 542 N 2.53 4.40 0.13 3.92 2.96 -1.26 -4.99 118.68 126.37 1p6i s LEU 542 Ca 0.12 1.88 0.06 0.00 -0.22 0.00 0.00 54.13 55.96 1p6i s LEU 542 Cb -0.23 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 1p6i s LEU 542 CO 0.05 -0.32 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.02 1p6i s GLU 543 N 0.73 1.03 -0.14 1.98 2.02 -1.26 -1.62 118.70 121.43 1p6i s GLU 543 Ca 0.54 -1.27 0.01 0.00 0.02 0.00 0.00 54.97 54.27 1p6i s GLU 543 Cb -0.26 -0.88 0.02 0.00 0.10 0.00 0.00 34.13 33.12 1p6i s GLU 543 CO 0.30 0.16 -0.16 0.08 0.02 0.00 0.00 175.26 175.66 1p6i s VAL 544 N -2.28 1.67 0.08 2.63 1.01 0.13 -4.90 120.40 118.75 1p6i s VAL 544 Ca 0.10 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1p6i s VAL 544 Cb -0.04 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 1p6i s VAL 544 CO 0.03 0.47 1.16 -2.16 0.00 0.00 0.00 175.10 174.61 1p6i s PRO 545 N 1.27 4.47 -0.33 2.72 0.04 -1.26 -1.88 135.00 140.03 1p6i s PRO 545 Ca 0.01 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 62.61 1p6i s PRO 545 Cb -0.14 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 1p6i s PRO 545 CO -0.08 -0.17 0.47 0.42 0.04 0.00 0.00 177.00 177.68 1p6i s ILE 546 N 0.77 5.07 0.10 0.56 -1.09 0.37 -4.74 121.20 122.23 1p6i s ILE 546 Ca 0.56 0.39 0.06 0.00 -2.23 0.00 0.00 60.65 59.43 1p6i s ILE 546 Cb -0.29 -3.89 -0.03 0.00 -1.58 0.00 0.00 42.46 36.67 1p6i s ILE 546 CO 0.30 -0.11 -0.15 0.00 -1.23 0.00 0.00 174.94 173.76 1p6i s ARG 547 N 2.28 0.95 0.02 2.79 3.03 -1.26 -4.21 118.95 122.54 1p6i s ARG 547 Ca 0.17 -1.12 -0.10 0.00 2.03 0.00 0.00 55.73 56.71 1p6i s ARG 547 Cb -0.16 -0.90 -0.05 0.00 -1.03 0.00 0.00 34.95 32.81 1p6i s ARG 547 CO 0.12 0.19 0.35 -1.58 -1.13 0.00 0.00 175.30 173.24 1p6i s HIS 548 N -1.73 3.63 -1.50 5.89 2.46 -1.26 -4.26 115.29 118.52 1p6i s HIS 548 Ca 0.04 0.78 0.00 0.00 0.47 0.00 0.00 55.06 56.36 1p6i s HIS 548 Cb -0.07 -2.14 0.00 0.00 -0.13 0.00 0.00 32.58 30.23 1p6i s HIS 548 CO 0.03 0.60 0.53 -0.35 -2.47 0.00 0.00 174.74 173.08 1p6i n PRO 549 N 1.36 0.70 0.00 2.88 -0.04 -1.26 -3.77 135.00 134.88 1p6i n PRO 549 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1p6i n PRO 549 Cb 0.53 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1p6i n PRO 549 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1p6i n LYS 550 N -0.17 0.00 -3.20 0.54 5.02 -1.26 -5.03 118.16 114.05 1p6i n LYS 550 Ca 0.00 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.83 1p6i n LYS 550 Cb 0.09 -0.15 -0.02 0.00 -0.02 0.00 0.00 35.03 34.93 1p6i n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1p6i s PHE 551 N -1.00 3.58 0.67 2.13 2.99 -1.25 -4.87 117.98 120.23 1p6i s PHE 551 Ca 0.00 -1.83 0.34 0.00 0.00 0.00 0.00 56.93 55.44 1p6i s PHE 551 Cb 0.00 -3.97 1.86 0.00 0.00 0.00 0.00 43.02 40.91 1p6i s PHE 551 CO 0.00 -1.15 2.05 -0.44 -0.00 0.00 0.00 175.22 175.68 1p6i h ASP 552 N 8.06 0.00 1.54 1.36 5.19 -1.96 0.32 116.42 130.93 1p6i h ASP 552 Ca 0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1p6i h ASP 552 Cb 1.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1p6i h ASP 552 CO 0.87 0.00 0.00 4.11 -3.12 0.00 0.00 179.24 181.10 1p6i h TRP 553 N 0.00 0.00 -0.72 4.55 5.08 -1.94 -3.33 115.95 119.59 1p6i h TRP 553 Ca 0.00 0.00 0.10 0.00 1.08 0.00 0.00 58.89 60.07 1p6i h TRP 553 Cb 0.48 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.57 1p6i h TRP 553 CO 0.00 0.00 0.35 0.35 -1.28 0.00 0.00 178.44 177.86 1p6i h PHE 554 N 0.00 0.62 -0.25 0.12 3.57 -0.73 -0.70 116.94 119.57 1p6i h PHE 554 Ca 0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1p6i h PHE 554 Cb 0.77 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1p6i h PHE 554 CO 0.00 0.20 0.22 1.57 -2.23 0.00 0.00 178.31 178.08 1p6i h LYS 555 N 0.58 0.00 0.00 1.11 2.10 -1.73 -0.70 116.57 117.92 1p6i h LYS 555 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 1p6i h LYS 555 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1p6i h LYS 555 CO -0.29 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 176.72 1p6i h ASP 556 N 0.00 0.00 0.62 7.07 3.32 -1.36 -1.49 116.42 124.58 1p6i h ASP 556 Ca 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1p6i h ASP 556 Cb 0.57 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1p6i h ASP 556 CO -0.00 0.00 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.43 1p6i h LEU 557 N 0.00 0.00 0.85 1.55 3.38 -1.23 -3.46 115.31 116.39 1p6i h LEU 557 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1p6i h LEU 557 Cb 0.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.03 1p6i h LEU 557 CO 0.00 0.02 -0.34 0.61 0.09 0.00 0.00 178.44 178.82 1p6i n GLY 558 N -0.40 -0.07 3.85 0.83 0.00 -0.56 -5.01 105.19 103.84 1p6i n GLY 558 Ca -0.01 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1p6i n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p6i s LEU 559 N -3.93 4.42 0.11 0.99 1.43 -1.26 -5.03 118.68 115.40 1p6i s LEU 559 Ca 0.12 0.86 -0.20 0.00 -1.03 0.00 0.00 54.13 53.88 1p6i s LEU 559 Cb -0.05 -2.72 0.05 0.00 0.03 0.00 0.00 46.19 43.50 1p6i s LEU 559 CO 0.15 0.27 0.49 -1.59 0.23 0.00 0.00 176.35 175.89 1p6i s LYS 560 N -1.42 1.11 0.13 1.70 -2.85 -1.26 -0.48 119.74 116.67 1p6i s LYS 560 Ca 0.27 -0.50 -0.05 0.00 -1.00 0.00 0.00 55.97 54.70 1p6i s LYS 560 Cb -0.15 0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 1p6i s LYS 560 CO 0.15 -0.44 0.14 -0.46 0.10 0.00 0.00 175.35 174.84 1p6i s TRP 561 N -3.37 0.60 0.24 1.78 -0.11 -0.79 -4.95 118.94 112.35 1p6i s TRP 561 Ca -0.00 -0.99 -0.11 0.00 1.22 0.00 0.00 56.10 56.21 1p6i s TRP 561 Cb 0.00 -0.28 -0.08 0.00 -1.50 0.00 0.00 33.47 31.61 1p6i s TRP 561 CO -0.09 -0.58 0.59 1.52 -4.62 0.00 0.00 176.95 173.77 1p6i s TYR 562 N -3.99 3.43 -0.53 5.86 -0.85 -1.26 0.18 117.35 120.19 1p6i s TYR 562 Ca 0.19 0.96 0.24 0.00 -0.52 0.00 0.00 57.07 57.94 1p6i s TYR 562 Cb 0.06 -2.33 0.43 0.00 0.38 0.00 0.00 41.96 40.50 1p6i s TYR 562 CO -0.01 0.24 1.53 0.78 -1.52 0.00 0.00 175.55 176.57 1p6i h GLY 563 N 2.57 0.00 -7.44 5.49 0.00 -1.65 -3.45 103.07 98.58 1p6i h GLY 563 Ca -0.47 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.14 1p6i h GLY 563 CO 0.68 0.00 -0.44 -2.27 0.00 0.00 0.00 176.54 174.51 1p6i s LEU 564 N -5.27 5.18 -0.19 3.11 2.96 -1.26 -4.54 118.68 118.68 1p6i s LEU 564 Ca 0.07 -1.30 -0.26 0.00 -0.22 0.00 0.00 54.13 52.42 1p6i s LEU 564 Cb 0.09 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1p6i s LEU 564 CO 0.67 -0.53 0.87 -2.16 -1.32 0.00 0.00 176.35 173.88 1p6i s PRO 565 N 1.53 4.28 -0.40 0.98 0.04 -1.26 -4.65 135.00 135.51 1p6i s PRO 565 Ca 0.03 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.17 1p6i s PRO 565 Cb -0.22 -3.59 0.16 0.00 0.04 0.00 0.00 34.50 30.89 1p6i s PRO 565 CO 0.05 -0.40 0.34 0.00 0.04 0.00 0.00 177.00 177.03 1p6i s ALA 566 N 2.39 0.90 0.02 8.56 0.00 -1.26 -3.34 121.76 129.02 1p6i s ALA 566 Ca 0.39 -2.06 -0.34 0.00 0.00 0.00 0.00 51.96 49.95 1p6i s ALA 566 Cb -0.16 -1.71 -0.13 0.00 0.00 0.00 0.00 23.12 21.12 1p6i s ALA 566 CO 0.11 -2.04 1.72 0.28 0.00 0.00 0.00 175.76 175.83 1p6i n VAL 567 N 3.24 0.29 -0.29 0.00 0.31 -0.75 -0.58 118.33 120.54 1p6i n VAL 567 Ca 0.24 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1p6i n VAL 567 Cb 0.46 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 1p6i n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1p6i n SER 568 N 5.00 0.96 -0.92 4.52 3.41 -0.53 -1.01 113.62 125.05 1p6i n SER 568 Ca 0.20 -1.25 0.08 0.00 -0.26 0.00 0.00 58.87 57.65 1p6i n SER 568 Cb 0.28 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.43 1p6i n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1p6i n ASN 569 N -0.12 3.23 -4.97 4.04 6.94 -1.22 -4.36 115.26 118.80 1p6i n ASN 569 Ca 0.00 -1.95 -0.21 0.00 -0.02 0.00 0.00 54.58 52.40 1p6i n ASN 569 Cb 0.16 -0.29 0.03 0.00 -2.36 0.00 0.00 39.78 37.32 1p6i n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1p6i s MET 570 N -1.07 2.75 -0.19 -3.83 -1.94 -1.26 -4.32 119.30 109.44 1p6i s MET 570 Ca 0.33 -0.73 -0.03 0.00 -1.71 0.00 0.00 55.69 53.55 1p6i s MET 570 Cb 0.18 -2.54 -0.01 0.00 2.01 0.00 0.00 34.83 34.46 1p6i s MET 570 CO 0.23 -0.51 -0.08 -1.17 -0.01 0.00 0.00 175.02 173.49 1p6i s LEU 571 N -4.64 2.81 -0.23 -0.03 0.20 0.25 -4.29 118.68 112.75 1p6i s LEU 571 Ca 0.54 -0.38 -0.19 0.00 0.69 0.00 0.00 54.13 54.79 1p6i s LEU 571 Cb -0.10 -1.69 -0.03 0.00 -0.43 0.00 0.00 46.19 43.94 1p6i s LEU 571 CO 0.38 0.04 0.57 -0.22 -0.29 0.00 0.00 176.35 176.83 1p6i s LEU 572 N 1.10 4.10 -0.23 -0.68 2.96 -0.13 -0.66 118.68 125.14 1p6i s LEU 572 Ca 0.01 0.68 -0.05 0.00 -0.22 0.00 0.00 54.13 54.55 1p6i s LEU 572 Cb -0.15 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.75 1p6i s LEU 572 CO -0.01 -0.28 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.02 1p6i s GLU 573 N 2.13 3.46 -0.07 1.98 2.12 -0.10 -0.08 118.70 128.14 1p6i s GLU 573 Ca 0.25 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1p6i s GLU 573 Cb -0.16 -3.10 0.02 0.00 0.26 0.00 0.00 34.13 31.16 1p6i s GLU 573 CO 0.09 -0.19 -0.06 0.42 -0.54 0.00 0.00 175.26 174.99 1p6i s ILE 574 N 1.50 0.74 -1.69 -3.70 1.01 -0.42 -1.66 121.20 116.98 1p6i s ILE 574 Ca 0.06 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.34 1p6i s ILE 574 Cb -0.14 -0.78 0.17 0.00 0.01 0.00 0.00 42.46 41.72 1p6i s ILE 574 CO -0.01 0.30 0.73 0.61 0.00 0.00 0.00 174.94 176.57 1p6i n GLY 575 N 4.52 -0.44 2.44 6.18 0.00 -1.26 0.03 105.19 116.66 1p6i n GLY 575 Ca -0.17 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1p6i n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p6i n GLY 576 N -1.30 2.99 3.79 -0.02 0.00 -1.26 -3.41 105.19 105.97 1p6i n GLY 576 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1p6i n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p6i s LEU 577 N 0.00 3.99 -0.15 0.99 1.43 0.10 -5.04 118.68 120.00 1p6i s LEU 577 Ca 0.00 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.13 1p6i s LEU 577 Cb 0.00 -4.36 0.02 0.00 0.03 0.00 0.00 46.19 41.87 1p6i s LEU 577 CO 0.00 -0.67 -0.19 -1.61 0.23 0.00 0.00 176.35 174.12 1p6i s GLU 578 N -2.86 2.73 -0.45 1.70 2.02 -1.26 -1.31 118.70 119.28 1p6i s GLU 578 Ca 0.63 -0.74 -0.07 0.00 0.02 0.00 0.00 54.97 54.81 1p6i s GLU 578 Cb -0.20 -2.32 0.12 0.00 0.10 0.00 0.00 34.13 31.83 1p6i s GLU 578 CO 0.25 -0.13 0.30 -0.06 0.02 0.00 0.00 175.26 175.64 1p6i s PHE 579 N 1.13 3.48 -0.86 1.61 0.40 0.88 0.44 117.98 125.06 1p6i s PHE 579 Ca -0.01 -2.06 0.22 0.00 -0.60 0.00 0.00 56.93 54.48 1p6i s PHE 579 Cb -0.14 -3.41 0.89 0.00 0.51 0.00 0.00 43.02 40.87 1p6i s PHE 579 CO -0.07 -0.99 1.69 -1.13 0.70 0.00 0.00 175.22 175.42 1p6i n SER 580 N 4.79 0.24 -3.78 1.36 3.41 -1.26 -0.95 113.62 117.43 1p6i n SER 580 Ca -0.06 0.54 -0.30 0.00 -0.26 0.00 0.00 58.87 58.79 1p6i n SER 580 Cb 0.41 -0.60 -0.15 0.00 -0.26 0.00 0.00 64.21 63.61 1p6i n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p6i s ALA 581 N -3.07 1.72 -0.38 7.33 0.00 -1.16 -4.61 121.76 121.59 1p6i s ALA 581 Ca 0.09 -1.74 0.12 0.00 0.00 0.00 0.00 51.96 50.42 1p6i s ALA 581 Cb 0.13 -1.65 0.37 0.00 0.00 0.00 0.00 23.12 21.97 1p6i s ALA 581 CO 0.41 -1.63 0.93 0.00 0.00 0.00 0.00 175.76 175.47 1p6i n PRO 583 N 0.14 2.02 -4.16 0.00 -0.04 -1.21 -4.65 135.00 127.10 1p6i n PRO 583 Ca 0.15 0.72 -0.12 0.00 -0.04 0.00 0.00 63.50 64.21 1p6i n PRO 583 Cb 0.72 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.71 1p6i n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1p6i s PHE 584 N -0.12 0.91 0.04 0.54 -0.12 -0.18 -1.67 117.98 117.39 1p6i s PHE 584 Ca 0.67 -0.81 -0.16 0.00 -0.05 0.00 0.00 56.93 56.58 1p6i s PHE 584 Cb -0.65 -0.52 0.03 0.00 -0.63 0.00 0.00 43.02 41.25 1p6i s PHE 584 CO 0.50 -0.10 0.36 -1.54 -0.05 0.00 0.00 175.22 174.39 1p6i s SER 585 N -2.77 -0.20 0.00 1.98 1.04 0.17 -1.82 113.70 112.10 1p6i s SER 585 Ca 0.08 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1p6i s SER 585 Cb 0.02 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1p6i s SER 585 CO -0.03 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1p6i n GLY 586 N 0.54 2.79 3.49 7.32 0.00 -1.21 -1.08 105.19 117.05 1p6i n GLY 586 Ca -0.19 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 1p6i n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1p6i s TRP 587 N 1.73 -0.47 0.44 1.61 -2.14 -1.26 -4.56 118.94 114.29 1p6i s TRP 587 Ca 0.00 0.23 -0.22 0.00 2.66 0.00 0.00 56.10 58.77 1p6i s TRP 587 Cb 0.00 0.58 -0.09 0.00 -3.10 0.00 0.00 33.47 30.86 1p6i s TRP 587 CO 0.00 -0.88 1.04 0.71 -2.66 0.00 0.00 176.95 175.16 1p6i s TYR 588 N -3.72 3.14 -0.15 1.66 4.12 -1.26 -4.91 117.35 116.22 1p6i s TYR 588 Ca 0.03 1.61 -0.08 0.00 0.02 0.00 0.00 57.07 58.65 1p6i s TYR 588 Cb -0.02 -3.09 -0.04 0.00 -1.52 0.00 0.00 41.96 37.29 1p6i s TYR 588 CO -0.10 -0.71 0.11 1.41 0.02 0.00 0.00 175.55 176.29 1p6i s MET 589 N -2.88 3.73 0.25 -0.62 -2.45 -1.26 -0.77 119.30 115.31 1p6i s MET 589 Ca 0.63 -0.21 -0.09 0.00 -1.25 0.00 0.00 55.69 54.76 1p6i s MET 589 Cb -0.19 -3.24 0.41 0.00 1.25 0.00 0.00 34.83 33.06 1p6i s MET 589 CO 0.23 0.54 1.60 0.78 1.05 0.00 0.00 175.02 179.22 1p6i h GLY 590 N 5.81 0.71 1.55 2.11 0.00 0.80 -1.74 103.07 112.30 1p6i h GLY 590 Ca -0.47 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.13 1p6i h GLY 590 CO 0.66 -0.32 0.17 -0.91 0.00 0.00 0.00 176.54 176.13 1p6i h THR 591 N 0.02 0.70 -0.87 4.70 1.35 -1.94 -2.27 112.91 114.60 1p6i h THR 591 Ca 0.42 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 66.39 1p6i h THR 591 Cb 0.69 0.88 -0.08 0.00 -1.73 0.00 0.00 68.15 67.90 1p6i h THR 591 CO -0.80 0.00 0.50 -0.33 -0.25 0.00 0.00 175.52 174.63 1p6i h GLU 592 N 0.00 0.76 0.00 4.72 5.08 -1.71 0.47 114.58 123.90 1p6i h GLU 592 Ca 0.09 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1p6i h GLU 592 Cb 0.43 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1p6i h GLU 592 CO -0.00 0.51 -0.82 0.82 -1.00 0.00 0.00 179.01 178.51 1p6i h ILE 593 N 0.79 0.46 -0.45 3.13 2.04 -1.59 -1.13 117.51 120.75 1p6i h ILE 593 Ca 0.44 -1.57 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 1p6i h ILE 593 Cb 0.47 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1p6i h ILE 593 CO -0.28 0.16 0.04 1.23 0.00 0.00 0.00 178.15 179.30 1p6i h GLY 594 N -1.00 0.77 0.00 5.37 0.00 -1.47 0.29 103.07 107.03 1p6i h GLY 594 Ca -0.16 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.57 1p6i h GLY 594 CO -0.10 0.44 -1.06 -0.62 0.00 0.00 0.00 176.54 175.20 1p6i n VAL 595 N -4.25 1.48 -0.03 4.60 0.31 0.10 -3.74 118.33 116.80 1p6i n VAL 595 Ca 0.03 0.06 -0.01 0.00 -0.01 0.00 0.00 64.34 64.41 1p6i n VAL 595 Cb 0.26 -2.22 -0.00 0.00 -0.91 0.00 0.00 33.84 30.97 1p6i n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1p6i h ARG 596 N -1.00 -0.04 -0.75 5.55 2.47 -1.44 -2.16 114.38 117.01 1p6i h ARG 596 Ca -0.19 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.54 1p6i h ARG 596 Cb 0.96 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.25 1p6i h ARG 596 CO -0.12 -0.03 0.50 -0.44 0.56 0.00 0.00 179.97 180.44 1p6i h ASP 597 N -0.90 0.86 0.24 7.04 3.32 -0.98 -1.89 116.42 124.11 1p6i h ASP 597 Ca -0.00 -0.02 -0.34 0.00 0.02 0.00 0.00 57.03 56.68 1p6i h ASP 597 Cb 0.03 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1p6i h ASP 597 CO 0.01 0.62 -1.73 1.88 -1.72 0.00 0.00 179.24 178.31 1p6i h TYR 598 N 1.02 0.66 0.00 4.55 0.99 -0.62 -2.15 116.97 121.41 1p6i h TYR 598 Ca 0.28 -0.48 0.00 0.00 2.00 0.00 0.00 58.73 60.53 1p6i h TYR 598 Cb -0.11 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.59 1p6i h TYR 598 CO -0.02 1.62 -1.05 0.00 -0.00 0.00 0.00 178.16 178.71 1p6i n ASP 600 N -1.58 2.77 0.01 0.00 9.92 -0.71 -4.62 116.55 122.33 1p6i n ASP 600 Ca 0.02 1.17 -0.01 0.00 -0.53 0.00 0.00 54.79 55.44 1p6i n ASP 600 Cb 0.31 -1.50 0.29 0.00 -0.64 0.00 0.00 41.12 39.58 1p6i n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1p6i h ASN 601 N 2.41 0.47 -0.16 -2.24 2.35 -1.93 -2.19 115.58 114.29 1p6i h ASN 601 Ca -0.47 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.18 1p6i h ASN 601 Cb 1.28 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1p6i h ASN 601 CO 0.62 0.58 0.00 -1.54 -1.65 0.00 0.00 177.43 175.44 1p6i n SER 602 N -4.25 1.14 0.00 5.81 3.41 -1.26 -4.51 113.62 113.96 1p6i n SER 602 Ca 0.01 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1p6i n SER 602 Cb 0.27 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1p6i n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p6i n ARG 603 N 0.04 1.86 0.00 4.33 5.12 -0.86 -4.29 116.66 122.86 1p6i n ARG 603 Ca 0.12 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.10 1p6i n ARG 603 Cb 0.22 0.00 0.29 0.00 -1.16 0.00 0.00 32.46 31.81 1p6i n ARG 603 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1p6i n TYR 604 N 0.00 0.02 -2.17 -1.55 4.02 -0.81 -4.64 117.16 112.03 1p6i n TYR 604 Ca 0.00 0.01 -0.08 0.00 -0.01 0.00 0.00 57.90 57.82 1p6i n TYR 604 Cb 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 38.81 1p6i n TYR 604 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1p6i n ASN 605 N -1.52 -1.18 -0.82 7.72 5.15 -0.82 -4.85 115.26 118.94 1p6i n ASN 605 Ca 0.03 -0.13 0.08 0.00 -0.60 0.00 0.00 54.58 53.96 1p6i n ASN 605 Cb 0.16 -0.37 0.16 0.00 -0.53 0.00 0.00 39.78 39.20 1p6i n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1p6i n ILE 606 N -0.50 0.59 -0.03 -1.44 -5.35 -0.20 -4.72 119.36 107.70 1p6i n ILE 606 Ca -0.05 -0.79 -0.09 0.00 -0.27 0.00 0.00 62.75 61.55 1p6i n ILE 606 Cb 0.16 0.85 -0.02 0.00 -1.74 0.00 0.00 39.64 38.88 1p6i n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1p6i h LEU 607 N 3.06 -0.76 -0.12 7.28 3.38 -1.86 -2.23 115.31 124.05 1p6i h LEU 607 Ca 0.00 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1p6i h LEU 607 Cb 0.77 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 1p6i h LEU 607 CO 0.00 -0.28 -0.20 -0.33 0.09 0.00 0.00 178.44 177.72 1p6i h GLU 608 N -0.27 -0.26 -0.51 1.13 5.08 -1.99 0.32 114.58 118.09 1p6i h GLU 608 Ca 0.12 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.59 1p6i h GLU 608 Cb 0.46 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 1p6i h GLU 608 CO -0.36 -0.17 0.09 0.93 -1.00 0.00 0.00 179.01 178.50 1p6i h GLU 609 N -0.27 0.22 -0.57 2.33 5.08 -1.86 0.20 114.58 119.71 1p6i h GLU 609 Ca 0.09 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1p6i h GLU 609 Cb 0.40 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1p6i h GLU 609 CO -0.27 0.14 -0.04 0.28 -1.00 0.00 0.00 179.01 178.13 1p6i h VAL 610 N 0.22 1.26 -0.03 3.13 2.07 -0.91 -2.54 116.25 119.46 1p6i h VAL 610 Ca 0.26 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1p6i h VAL 610 Cb 0.35 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1p6i h VAL 610 CO -0.34 0.42 0.01 0.00 0.02 0.00 0.00 177.57 177.67 1p6i h ALA 611 N 1.03 0.03 -0.20 1.67 0.00 0.95 -2.33 119.26 120.41 1p6i h ALA 611 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1p6i h ALA 611 Cb 0.58 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1p6i h ALA 611 CO 0.04 -0.48 -0.09 0.87 0.00 0.00 0.00 179.25 179.58 1p6i h LYS 612 N 0.02 -0.07 0.00 0.00 1.57 -0.55 -1.09 116.57 116.45 1p6i h LYS 612 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1p6i h LYS 612 Cb 0.01 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1p6i h LYS 612 CO -0.02 -0.05 0.00 0.87 -0.57 0.00 0.00 179.45 179.69 1p6i h LYS 613 N -0.07 0.00 0.00 3.15 1.57 -1.31 0.13 116.57 120.05 1p6i h LYS 613 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1p6i h LYS 613 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1p6i h LYS 613 CO -0.25 0.00 -0.72 -1.33 -0.57 0.00 0.00 179.45 176.58 1p6i n MET 614 N -2.56 0.10 -3.52 3.15 2.81 -0.49 -4.99 117.12 111.63 1p6i n MET 614 Ca -0.01 0.01 -0.25 0.00 -1.81 0.00 0.00 57.70 55.64 1p6i n MET 614 Cb 0.12 -1.54 0.05 0.00 -0.71 0.00 0.00 33.22 31.14 1p6i n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1p6i n ASP 615 N -1.68 -5.72 -4.43 7.83 2.03 0.47 -5.02 116.55 110.02 1p6i n ASP 615 Ca 0.04 -0.89 -0.28 0.00 0.52 0.00 0.00 54.79 54.18 1p6i n ASP 615 Cb 0.37 -4.11 -0.12 0.00 -0.72 0.00 0.00 41.12 36.54 1p6i n ASP 615 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1p6i s LEU 616 N -6.06 2.46 -0.26 -2.67 0.05 -1.24 -5.07 118.68 105.89 1p6i s LEU 616 Ca 0.46 -0.80 -0.28 0.00 0.05 0.00 0.00 54.13 53.56 1p6i s LEU 616 Cb -0.12 -1.24 -0.04 0.00 -2.05 0.00 0.00 46.19 42.74 1p6i s LEU 616 CO 0.81 0.14 2.09 -0.62 -0.55 0.00 0.00 176.35 178.22 1p6i s ASP 617 N -2.50 5.58 0.00 1.48 2.15 -1.26 -4.81 116.67 117.31 1p6i s ASP 617 Ca 0.19 1.69 0.22 0.00 0.43 0.00 0.00 52.55 55.08 1p6i s ASP 617 Cb -0.09 -2.52 0.54 0.00 -0.30 0.00 0.00 42.92 40.56 1p6i s ASP 617 CO 0.09 -1.89 1.46 0.23 -0.17 0.00 0.00 175.17 174.89 1p6i n MET 618 N 8.66 2.63 -0.14 4.34 2.81 -1.26 -4.41 117.12 129.75 1p6i n MET 618 Ca 0.28 -2.48 -0.10 0.00 -1.81 0.00 0.00 57.70 53.58 1p6i n MET 618 Cb 0.46 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.42 1p6i n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1p6i h ARG 619 N 4.25 0.72 -5.90 0.03 3.08 -2.04 -3.43 114.38 111.08 1p6i h ARG 619 Ca 0.00 -0.23 -0.68 0.00 0.07 0.00 0.00 59.98 59.13 1p6i h ARG 619 Cb 0.97 -0.06 -0.29 0.00 0.08 0.00 0.00 29.97 30.68 1p6i h ARG 619 CO 0.00 0.81 -0.83 -1.59 -1.07 0.00 0.00 179.97 177.29 1p6i s LYS 620 N -4.98 2.75 0.45 0.04 -2.85 -1.26 -5.01 119.74 108.88 1p6i s LYS 620 Ca -0.13 -0.81 0.15 0.00 -1.00 0.00 0.00 55.97 54.18 1p6i s LYS 620 Cb 0.10 -2.32 1.02 0.00 -2.06 0.00 0.00 37.83 34.56 1p6i s LYS 620 CO 0.80 0.39 2.00 1.79 0.10 0.00 0.00 175.35 180.42 1p6i h THR 621 N 5.00 1.12 0.00 3.79 1.35 -1.92 -2.58 112.91 119.67 1p6i h THR 621 Ca -0.33 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1p6i h THR 621 Cb 1.18 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1p6i h THR 621 CO 0.50 0.17 0.00 -1.54 -0.25 0.00 0.00 175.52 174.40 1p6i n SER 622 N -4.32 0.00 0.00 5.36 3.41 -1.26 -1.03 113.62 115.79 1p6i n SER 622 Ca -0.02 -0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.67 1p6i n SER 622 Cb 0.24 -0.21 0.52 0.00 -0.26 0.00 0.00 64.21 64.50 1p6i n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1p6i n SER 623 N -1.21 0.14 -3.72 4.04 3.41 -0.97 -4.92 113.62 110.39 1p6i n SER 623 Ca 0.07 0.29 -0.27 0.00 -0.26 0.00 0.00 58.87 58.71 1p6i n SER 623 Cb 0.09 -0.30 0.05 0.00 -0.26 0.00 0.00 64.21 63.80 1p6i n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p6i n LEU 624 N -1.51 -3.00 -0.20 1.04 4.77 -0.19 -4.90 117.00 113.01 1p6i n LEU 624 Ca 0.07 -0.64 -0.09 0.00 -0.03 0.00 0.00 56.01 55.32 1p6i n LEU 624 Cb 0.34 -2.82 0.04 0.00 -2.33 0.00 0.00 43.42 38.64 1p6i n LEU 624 CO 0.29 0.56 0.81 4.11 -1.33 0.00 0.00 177.39 181.83 1p6i h TRP 625 N -2.40 1.15 -0.80 -1.77 5.08 -1.82 -0.95 115.95 114.44 1p6i h TRP 625 Ca -0.57 -0.21 0.04 0.00 1.08 0.00 0.00 58.89 59.24 1p6i h TRP 625 Cb 1.37 -0.30 -0.05 0.00 -3.00 0.00 0.00 29.16 27.18 1p6i h TRP 625 CO 0.53 1.02 0.50 0.87 -1.28 0.00 0.00 178.44 180.09 1p6i h LYS 626 N 0.95 0.92 -0.22 0.12 1.57 -1.90 0.97 116.57 118.98 1p6i h LYS 626 Ca 0.16 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1p6i h LYS 626 Cb 0.58 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1p6i h LYS 626 CO 0.03 0.61 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.05 1p6i h ASP 627 N 0.95 0.41 -0.22 0.86 5.19 -1.87 0.10 116.42 121.84 1p6i h ASP 627 Ca 0.33 -0.35 0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1p6i h ASP 627 Cb 0.08 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 1p6i h ASP 627 CO -0.14 0.66 0.10 -0.61 -3.12 0.00 0.00 179.24 176.14 1p6i h GLN 628 N 0.15 0.22 -0.38 3.56 4.15 -0.77 -2.06 115.11 119.98 1p6i h GLN 628 Ca 0.06 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 1p6i h GLN 628 Cb 0.47 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 1p6i h GLN 628 CO 0.02 0.15 -0.13 0.00 -1.93 0.00 0.00 178.83 176.93 1p6i h ALA 629 N 1.11 1.05 -0.24 3.38 0.00 -0.78 -2.97 119.26 120.82 1p6i h ALA 629 Ca 0.09 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1p6i h ALA 629 Cb 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1p6i h ALA 629 CO -0.06 0.58 -0.01 1.25 0.00 0.00 0.00 179.25 181.01 1p6i h LEU 630 N 0.62 -0.11 -0.45 0.00 5.85 -0.22 -1.43 115.31 119.58 1p6i h LEU 630 Ca 0.11 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1p6i h LEU 630 Cb 0.58 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1p6i h LEU 630 CO 0.04 -0.02 0.21 0.58 -0.34 0.00 0.00 178.44 178.90 1p6i h VAL 631 N 0.07 0.94 -0.74 1.05 2.07 -1.25 -1.94 116.25 116.45 1p6i h VAL 631 Ca 0.11 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1p6i h VAL 631 Cb 0.15 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1p6i h VAL 631 CO -0.20 0.08 0.44 -0.33 0.02 0.00 0.00 177.57 177.58 1p6i h GLU 632 N 0.42 1.00 -0.47 1.57 4.39 -1.32 0.12 114.58 120.29 1p6i h GLU 632 Ca 0.20 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1p6i h GLU 632 Cb 0.13 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1p6i h GLU 632 CO -0.16 0.71 0.17 0.82 -1.16 0.00 0.00 179.01 179.39 1p6i h ILE 633 N 1.00 1.19 0.00 3.13 2.04 -0.92 -0.88 117.51 123.07 1p6i h ILE 633 Ca 0.26 -0.61 -0.12 0.00 1.00 0.00 0.00 64.86 65.39 1p6i h ILE 633 Cb -0.03 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1p6i h ILE 633 CO -0.05 0.23 -0.56 0.78 0.00 0.00 0.00 178.15 178.56 1p6i h ASN 634 N 0.68 0.00 0.32 1.72 4.21 -0.59 -2.40 115.58 119.51 1p6i h ASN 634 Ca 0.16 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.50 1p6i h ASN 634 Cb 0.18 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 1p6i h ASN 634 CO -0.01 0.56 -0.71 0.40 -1.29 0.00 0.00 177.43 176.37 1p6i h ILE 635 N 0.00 1.39 -0.20 2.81 2.04 -0.28 -2.92 117.51 120.35 1p6i h ILE 635 Ca -0.01 -2.16 -0.06 0.00 1.00 0.00 0.00 64.86 63.64 1p6i h ILE 635 Cb 1.42 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1p6i h ILE 635 CO 0.07 0.64 -0.10 0.00 0.00 0.00 0.00 178.15 178.77 1p6i h ALA 636 N 1.01 0.28 0.08 1.87 0.00 -1.10 -1.18 119.26 120.22 1p6i h ALA 636 Ca -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1p6i h ALA 636 Cb 1.28 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1p6i h ALA 636 CO 0.12 0.12 -0.20 0.28 0.00 0.00 0.00 179.25 179.57 1p6i h VAL 637 N 0.12 0.54 -0.74 0.00 2.07 -1.45 0.21 116.25 117.00 1p6i h VAL 637 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1p6i h VAL 637 Cb 0.59 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1p6i h VAL 637 CO 0.03 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 178.01 1p6i h LEU 638 N -0.36 0.88 -0.33 2.57 3.38 -1.54 -1.87 115.31 118.03 1p6i h LEU 638 Ca 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1p6i h LEU 638 Cb 0.40 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1p6i h LEU 638 CO -0.13 0.67 0.21 0.22 0.09 0.00 0.00 178.44 179.50 1p6i h TYR 639 N 1.01 0.42 -0.44 1.13 3.20 -0.66 -0.78 116.97 120.85 1p6i h TYR 639 Ca 0.27 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1p6i h TYR 639 Cb -0.06 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1p6i h TYR 639 CO -0.01 0.28 0.23 0.77 -1.64 0.00 0.00 178.16 177.80 1p6i h SER 640 N 0.44 0.56 -0.29 -2.11 0.02 -0.28 0.92 113.55 112.81 1p6i h SER 640 Ca 0.12 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1p6i h SER 640 Cb -0.03 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1p6i h SER 640 CO -0.02 0.50 0.04 -0.26 -1.14 0.00 0.00 176.83 175.94 1p6i h PHE 641 N 0.58 0.51 -0.52 3.45 -1.00 -1.21 -2.06 116.94 116.68 1p6i h PHE 641 Ca 0.15 -0.07 -0.10 0.00 2.81 0.00 0.00 57.97 60.76 1p6i h PHE 641 Cb 0.07 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 1p6i h PHE 641 CO -0.02 0.58 -0.07 1.96 -1.61 0.00 0.00 178.31 179.15 1p6i h GLN 642 N 0.29 0.94 -0.67 1.51 4.20 -1.06 0.47 115.11 120.78 1p6i h GLN 642 Ca 0.09 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 1p6i h GLN 642 Cb 0.35 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1p6i h GLN 642 CO 0.01 0.97 0.32 0.77 -0.67 0.00 0.00 178.83 180.23 1p6i h SER 643 N 0.85 0.86 -0.42 1.46 0.02 -0.69 -1.97 113.55 113.67 1p6i h SER 643 Ca 0.14 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1p6i h SER 643 Cb 0.59 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1p6i h SER 643 CO 0.04 0.73 0.00 0.47 -1.14 0.00 0.00 176.83 176.93 1p6i n ASP 644 N -4.34 2.98 -3.73 3.07 8.00 -0.79 -4.93 116.55 116.81 1p6i n ASP 644 Ca 0.06 -2.21 -0.23 0.00 0.71 0.00 0.00 54.79 53.12 1p6i n ASP 644 Cb 0.13 -0.42 0.04 0.00 -0.02 0.00 0.00 41.12 40.85 1p6i n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1p6i n LYS 645 N 0.67 -5.34 -4.23 -1.24 5.02 -0.74 -4.98 118.16 107.32 1p6i n LYS 645 Ca 0.16 0.64 -0.34 0.00 -2.02 0.00 0.00 58.31 56.75 1p6i n LYS 645 Cb 0.55 -5.34 -0.15 0.00 -0.02 0.00 0.00 35.03 30.08 1p6i n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1p6i s VAL 646 N -3.54 2.93 0.24 -0.18 1.01 0.11 -4.37 120.40 116.60 1p6i s VAL 646 Ca 0.20 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 1p6i s VAL 646 Cb -0.10 -2.28 -0.14 0.00 0.00 0.00 0.00 36.38 33.86 1p6i s VAL 646 CO 0.81 0.48 1.20 0.41 0.00 0.00 0.00 175.10 178.00 1p6i n THR 647 N 4.37 1.34 -3.58 3.92 -1.04 -0.05 -4.27 114.28 114.98 1p6i n THR 647 Ca -0.19 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.05 61.38 1p6i n THR 647 Cb 0.51 -1.14 -0.05 0.00 -1.82 0.00 0.00 70.33 67.83 1p6i n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1p6i s ILE 648 N -0.49 0.00 -0.04 12.58 2.07 -1.26 -4.46 121.20 129.59 1p6i s ILE 648 Ca 0.66 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.93 1p6i s ILE 648 Cb -0.72 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 40.87 1p6i s ILE 648 CO 0.55 0.00 -0.14 0.54 -1.91 0.00 0.00 174.94 173.97 1p6i s VAL 649 N -0.92 1.22 0.68 4.00 0.11 0.05 -4.95 120.40 120.59 1p6i s VAL 649 Ca -0.02 -0.60 -0.11 0.00 -2.93 0.00 0.00 61.98 58.32 1p6i s VAL 649 Cb -0.01 -1.05 -0.00 0.00 -1.53 0.00 0.00 36.38 33.78 1p6i s VAL 649 CO 0.01 0.36 1.06 1.51 -3.33 0.00 0.00 175.10 174.71 1p6i s ASP 650 N 0.08 5.62 0.52 3.54 -4.77 -1.26 0.13 116.67 120.53 1p6i s ASP 650 Ca -0.03 1.48 0.23 0.00 -3.30 0.00 0.00 52.55 50.92 1p6i s ASP 650 Cb -0.10 -2.40 1.40 0.00 -1.09 0.00 0.00 42.92 40.72 1p6i s ASP 650 CO 0.02 -1.27 2.11 1.12 0.70 0.00 0.00 175.17 177.85 1p6i h HIS 651 N -0.60 0.00 0.11 2.11 2.07 -1.96 -1.20 115.15 115.67 1p6i h HIS 651 Ca -0.44 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.07 1p6i h HIS 651 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1p6i h HIS 651 CO 0.61 0.09 -0.05 0.45 -3.07 0.00 0.00 177.93 175.96 1p6i h HIS 652 N 0.00 -0.14 -0.21 6.12 3.86 -1.96 -1.84 115.15 120.98 1p6i h HIS 652 Ca -0.00 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1p6i h HIS 652 Cb 0.19 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1p6i h HIS 652 CO 0.00 0.29 0.11 1.03 0.86 0.00 0.00 177.93 180.21 1p6i h SER 653 N -0.61 0.27 -0.55 2.45 0.87 -1.89 -1.26 113.55 112.82 1p6i h SER 653 Ca -0.01 -0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.49 1p6i h SER 653 Cb 0.48 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 1p6i h SER 653 CO 0.02 0.29 0.29 0.00 -0.53 0.00 0.00 176.83 176.91 1p6i h ALA 654 N 0.99 0.71 -0.40 6.23 0.00 -1.28 -0.47 119.26 125.04 1p6i h ALA 654 Ca 0.07 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1p6i h ALA 654 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1p6i h ALA 654 CO -0.01 -0.04 -0.28 1.79 0.00 0.00 0.00 179.25 180.71 1p6i h THR 655 N 0.56 1.27 -0.64 0.00 1.35 -1.23 -1.34 112.91 112.89 1p6i h THR 655 Ca 0.24 -1.43 0.03 0.00 -0.55 0.00 0.00 66.41 64.70 1p6i h THR 655 Cb 0.13 1.26 -0.04 0.00 -1.73 0.00 0.00 68.15 67.76 1p6i h THR 655 CO -0.15 0.48 0.39 -0.08 -0.25 0.00 0.00 175.52 175.90 1p6i h GLU 656 N 0.73 0.73 -0.79 4.72 4.81 -0.73 -1.63 114.58 122.42 1p6i h GLU 656 Ca 0.09 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1p6i h GLU 656 Cb 0.83 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 1p6i h GLU 656 CO 0.07 0.48 0.49 0.77 -0.73 0.00 0.00 179.01 180.09 1p6i h SER 657 N 0.75 0.95 -0.65 1.04 0.02 -0.69 -2.43 113.55 112.54 1p6i h SER 657 Ca 0.26 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1p6i h SER 657 Cb 0.06 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1p6i h SER 657 CO -0.12 0.73 0.12 0.15 -1.14 0.00 0.00 176.83 176.57 1p6i h PHE 658 N 1.09 1.13 -0.27 3.45 3.57 -0.60 0.18 116.94 125.48 1p6i h PHE 658 Ca 0.29 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1p6i h PHE 658 Cb -0.05 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 1p6i h PHE 658 CO -0.01 0.95 0.13 0.82 -2.23 0.00 0.00 178.31 177.97 1p6i h ILE 659 N 0.99 0.98 -0.45 1.41 1.08 -1.07 0.46 117.51 120.90 1p6i h ILE 659 Ca 0.20 -0.09 0.03 0.00 -0.39 0.00 0.00 64.86 64.60 1p6i h ILE 659 Cb 0.42 0.68 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 1p6i h ILE 659 CO 0.01 0.05 0.25 0.50 -0.69 0.00 0.00 178.15 178.27 1p6i h LYS 660 N 0.27 0.49 -0.54 2.37 3.64 -1.08 -1.67 116.57 120.03 1p6i h LYS 660 Ca 0.11 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1p6i h LYS 660 Cb 0.05 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1p6i h LYS 660 CO -0.09 0.32 0.32 1.25 -2.27 0.00 0.00 179.45 178.98 1p6i h HIS 661 N 0.50 0.60 -0.32 1.91 2.76 0.29 -1.29 115.15 119.61 1p6i h HIS 661 Ca 0.19 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.42 1p6i h HIS 661 Cb 0.05 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.78 1p6i h HIS 661 CO -0.08 0.33 0.05 0.52 -1.30 0.00 0.00 177.93 177.45 1p6i h MET 662 N 0.63 0.15 -0.43 5.26 2.86 0.59 0.11 114.93 124.10 1p6i h MET 662 Ca 0.22 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.88 1p6i h MET 662 Cb 0.04 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1p6i h MET 662 CO -0.11 0.10 0.24 0.93 1.06 0.00 0.00 176.91 179.13 1p6i h GLU 663 N 0.15 0.47 0.03 1.72 5.08 -0.93 0.21 114.58 121.31 1p6i h GLU 663 Ca 0.15 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1p6i h GLU 663 Cb 0.17 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1p6i h GLU 663 CO -0.21 0.31 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.12 1p6i h ASN 664 N 0.48 -0.22 -0.97 1.42 2.35 -0.63 -1.69 115.58 116.32 1p6i h ASN 664 Ca 0.17 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 56.01 1p6i h ASN 664 Cb 0.04 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.44 1p6i h ASN 664 CO -0.10 -0.12 0.63 -0.33 -1.65 0.00 0.00 177.43 175.87 1p6i h GLU 665 N -0.15 1.14 -0.36 0.81 4.39 -0.27 0.13 114.58 120.26 1p6i h GLU 665 Ca 0.02 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 1p6i h GLU 665 Cb 0.18 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1p6i h GLU 665 CO -0.06 0.75 0.03 1.88 -1.16 0.00 0.00 179.01 180.45 1p6i h TYR 666 N 1.17 0.66 0.00 4.33 -1.99 -0.17 0.45 116.97 121.43 1p6i h TYR 666 Ca 0.40 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 61.03 1p6i h TYR 666 Cb 0.09 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.64 1p6i h TYR 666 CO -0.00 0.69 -0.15 0.07 -0.00 0.00 0.00 178.16 178.78 1p6i h ARG 667 N 0.44 0.00 0.00 4.88 0.11 -0.98 -1.60 114.38 117.23 1p6i h ARG 667 Ca 0.11 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.13 1p6i h ARG 667 Cb 0.41 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.48 1p6i h ARG 667 CO 0.01 0.00 -1.76 0.00 0.10 0.00 0.00 179.97 178.32 1p6i n ARG 669 N -2.14 -0.08 -0.84 0.00 0.63 0.15 -5.01 116.66 109.36 1p6i n ARG 669 Ca -0.07 -0.28 0.00 0.00 -0.92 0.00 0.00 57.85 56.58 1p6i n ARG 669 Cb 0.53 -0.66 0.00 0.00 0.45 0.00 0.00 32.46 32.78 1p6i n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1p6i n GLY 670 N -0.03 0.56 0.00 5.14 0.00 -0.60 -4.49 105.19 105.77 1p6i n GLY 670 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1p6i n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p6i n GLY 671 N -2.84 -1.55 3.13 -0.02 0.00 -1.03 -1.14 105.19 101.74 1p6i n GLY 671 Ca 0.00 -1.49 0.03 0.00 0.00 0.00 0.00 46.02 44.56 1p6i n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p6i s PRO 673 N 2.82 4.14 -0.09 0.00 0.04 -1.26 -4.64 135.00 136.00 1p6i s PRO 673 Ca 0.16 2.57 -0.08 0.00 0.04 0.00 0.00 61.00 63.70 1p6i s PRO 673 Cb -0.13 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.34 1p6i s PRO 673 CO -0.23 -0.73 0.25 0.00 0.04 0.00 0.00 177.00 176.33 1p6i s ALA 674 N 1.21 -0.60 -0.60 8.56 0.00 -0.40 -4.16 121.76 125.76 1p6i s ALA 674 Ca 0.74 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 53.34 1p6i s ALA 674 Cb -0.49 -0.44 0.15 0.00 0.00 0.00 0.00 23.12 22.35 1p6i s ALA 674 CO 0.32 -0.13 0.49 0.34 0.00 0.00 0.00 175.76 176.78 1p6i s ASP 675 N 0.30 5.97 0.28 0.00 -1.08 0.34 -3.20 116.67 119.28 1p6i s ASP 675 Ca -0.01 -2.24 0.00 0.00 -0.52 0.00 0.00 52.55 49.78 1p6i s ASP 675 Cb -0.03 -2.07 0.64 0.00 -1.46 0.00 0.00 42.92 40.00 1p6i s ASP 675 CO -0.01 -0.64 1.66 -0.25 0.52 0.00 0.00 175.17 176.45 1p6i h TRP 676 N 8.13 0.33 -0.78 -5.34 7.01 -1.88 0.12 115.95 123.54 1p6i h TRP 676 Ca -0.12 0.05 0.13 0.00 2.11 0.00 0.00 58.89 61.06 1p6i h TRP 676 Cb 1.05 -0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 28.04 1p6i h TRP 676 CO 0.76 -0.17 0.51 0.28 -2.79 0.00 0.00 178.44 177.03 1p6i h VAL 677 N 0.23 0.85 0.01 2.65 2.07 -1.93 -1.57 116.25 118.56 1p6i h VAL 677 Ca 0.52 -0.19 -0.33 0.00 0.82 0.00 0.00 66.70 67.52 1p6i h VAL 677 Cb 1.00 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1p6i h VAL 677 CO -0.62 0.10 -1.98 0.79 0.02 0.00 0.00 177.57 175.88 1p6i n TRP 678 N -4.50 0.66 -0.10 1.57 7.02 0.00 -4.43 117.44 117.66 1p6i n TRP 678 Ca 0.14 0.23 -0.13 0.00 -1.02 0.00 0.00 57.50 56.71 1p6i n TRP 678 Cb 0.45 -1.12 -0.04 0.00 -2.42 0.00 0.00 31.31 28.19 1p6i n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1p6i h ILE 679 N 0.00 1.29 -2.70 -0.99 1.08 -0.49 -3.43 117.51 112.28 1p6i h ILE 679 Ca -0.39 -1.52 -0.54 0.00 -0.39 0.00 0.00 64.86 62.01 1p6i h ILE 679 Cb 2.09 1.53 -0.00 0.00 -3.07 0.00 0.00 36.82 37.37 1p6i h ILE 679 CO 0.06 0.50 1.01 -0.69 -0.69 0.00 0.00 178.15 178.33 1p6i s VAL 680 N -4.33 3.52 0.63 1.67 1.01 -0.63 -4.92 120.40 117.35 1p6i s VAL 680 Ca -0.12 0.77 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 1p6i s VAL 680 Cb 0.10 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1p6i s VAL 680 CO 0.85 -0.04 0.95 -2.65 0.00 0.00 0.00 175.10 174.21 1p6i n PRO 681 N 6.41 0.79 0.00 2.72 -0.02 -1.26 -4.88 135.00 138.76 1p6i n PRO 681 Ca 0.16 0.31 0.08 0.00 -2.02 0.00 0.00 63.50 62.03 1p6i n PRO 681 Cb 0.43 -2.17 0.45 0.00 -0.02 0.00 0.00 33.50 32.19 1p6i n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1p6i n PRO 682 N -1.18 0.48 -3.95 0.52 -0.04 -1.26 -4.30 135.00 125.27 1p6i n PRO 682 Ca 0.14 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 1p6i n PRO 682 Cb 0.48 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 1p6i n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p6i s MET 683 N -2.00 0.52 -1.08 0.54 0.23 -1.26 -4.89 119.30 111.36 1p6i s MET 683 Ca 0.23 -0.72 -0.05 0.00 -1.03 0.00 0.00 55.69 54.12 1p6i s MET 683 Cb 0.10 0.20 0.04 0.00 -1.53 0.00 0.00 34.83 33.64 1p6i s MET 683 CO 0.17 -0.12 0.27 0.43 -2.03 0.00 0.00 175.02 173.74 1p6i n SER 684 N 0.98 -3.50 -0.29 -1.18 7.64 -1.26 -4.86 113.62 111.14 1p6i n SER 684 Ca -0.20 -0.10 -0.08 0.00 1.01 0.00 0.00 58.87 59.50 1p6i n SER 684 Cb 0.58 -2.95 -0.07 0.00 -1.01 0.00 0.00 64.21 60.76 1p6i n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p6i n GLY 685 N -0.97 -2.34 0.04 0.23 0.00 -1.26 -1.44 105.19 99.45 1p6i n GLY 685 Ca -0.06 0.93 0.09 0.00 0.00 0.00 0.00 46.02 46.98 1p6i n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p6i n SER 686 N -4.65 0.20 -0.55 1.61 3.41 -1.26 -1.89 113.62 110.49 1p6i n SER 686 Ca 0.01 0.55 0.10 0.00 -0.26 0.00 0.00 58.87 59.27 1p6i n SER 686 Cb 0.18 -0.59 0.37 0.00 -0.26 0.00 0.00 64.21 63.91 1p6i n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1p6i n ILE 687 N -1.72 0.21 -4.18 -1.33 -5.35 -0.52 -4.78 119.36 101.70 1p6i n ILE 687 Ca 0.03 -0.35 -0.31 0.00 -0.27 0.00 0.00 62.75 61.85 1p6i n ILE 687 Cb 0.20 0.36 -0.08 0.00 -1.74 0.00 0.00 39.64 38.38 1p6i n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1p6i s THR 688 N -1.79 4.21 0.38 7.28 -4.23 -0.79 -5.04 115.64 115.66 1p6i s THR 688 Ca 0.32 -0.75 0.05 0.00 -1.18 0.00 0.00 61.69 60.13 1p6i s THR 688 Cb 0.17 -2.95 0.25 0.00 1.34 0.00 0.00 72.50 71.31 1p6i s THR 688 CO 0.26 0.25 2.01 1.55 -0.54 0.00 0.00 174.62 178.15 1p6i h PRO 689 N 3.84 0.62 0.00 3.99 0.13 -1.86 -3.03 132.00 135.69 1p6i h PRO 689 Ca -0.48 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1p6i h PRO 689 Cb 1.17 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 1p6i h PRO 689 CO 0.60 0.45 -0.02 -0.39 -0.23 0.00 0.00 178.00 178.41 1p6i h VAL 690 N 0.63 0.56 -0.78 1.56 -1.51 -1.88 -1.94 116.25 112.89 1p6i h VAL 690 Ca 0.17 -0.08 0.01 0.00 -1.23 0.00 0.00 66.70 65.57 1p6i h VAL 690 Cb -0.00 1.05 -0.04 0.00 -2.13 0.00 0.00 31.29 30.17 1p6i h VAL 690 CO -0.03 0.02 0.52 0.15 -1.23 0.00 0.00 177.57 177.00 1p6i h PHE 691 N 0.00 0.99 -0.18 5.19 3.57 -1.72 -1.83 116.94 122.96 1p6i h PHE 691 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1p6i h PHE 691 Cb 0.05 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.45 1p6i h PHE 691 CO 0.00 0.62 0.00 0.72 -2.23 0.00 0.00 178.31 177.42 1p6i n HIS 692 N -4.42 0.23 -3.52 0.41 8.25 -0.74 -4.85 115.22 110.58 1p6i n HIS 692 Ca 0.09 -0.11 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 1p6i n HIS 692 Cb 0.03 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.03 1p6i n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1p6i s GLN 693 N -1.77 3.58 0.39 -0.41 2.00 -0.69 -0.88 119.66 121.87 1p6i s GLN 693 Ca 0.33 -0.56 -0.26 0.00 -2.00 0.00 0.00 55.36 52.87 1p6i s GLN 693 Cb 0.18 -3.78 -0.09 0.00 0.80 0.00 0.00 33.01 30.12 1p6i s GLN 693 CO 0.27 -0.41 1.28 -1.21 -0.50 0.00 0.00 175.29 174.72 1p6i s GLU 694 N 1.77 4.04 0.01 1.67 2.02 -0.47 -4.98 118.70 122.74 1p6i s GLU 694 Ca 0.07 2.10 0.02 0.00 0.02 0.00 0.00 54.97 57.18 1p6i s GLU 694 Cb -0.17 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 1p6i s GLU 694 CO 0.11 -0.42 -0.05 -1.64 0.02 0.00 0.00 175.26 173.27 1p6i s MET 695 N -2.18 0.42 -0.21 1.61 -1.94 -1.26 -4.65 119.30 111.09 1p6i s MET 695 Ca 0.56 -0.29 -0.07 0.00 -1.71 0.00 0.00 55.69 54.18 1p6i s MET 695 Cb -0.37 -0.36 -0.03 0.00 2.01 0.00 0.00 34.83 36.07 1p6i s MET 695 CO 0.47 0.09 0.06 -0.51 -0.01 0.00 0.00 175.02 175.12 1p6i s LEU 696 N -0.41 3.60 -0.17 -0.03 1.43 -1.26 -4.85 118.68 116.99 1p6i s LEU 696 Ca -0.01 -0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1p6i s LEU 696 Cb -0.04 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1p6i s LEU 696 CO -0.00 0.09 0.03 0.21 0.23 0.00 0.00 176.35 176.91 1p6i s ASN 697 N 0.88 5.38 0.16 2.29 3.04 -1.19 -1.28 114.94 124.22 1p6i s ASN 697 Ca 0.03 0.02 -0.23 0.00 0.04 0.00 0.00 52.86 52.72 1p6i s ASN 697 Cb -0.14 -1.91 0.07 0.00 -1.54 0.00 0.00 41.25 37.73 1p6i s ASN 697 CO 0.02 0.17 0.60 -0.72 -3.04 0.00 0.00 177.10 174.14 1p6i s TYR 698 N 0.36 -0.52 -0.20 0.43 -0.85 -1.26 -4.95 117.35 110.34 1p6i s TYR 698 Ca 0.01 0.30 -0.09 0.00 -0.52 0.00 0.00 57.07 56.77 1p6i s TYR 698 Cb -0.13 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 1p6i s TYR 698 CO 0.01 -0.86 0.11 1.03 -1.52 0.00 0.00 175.55 174.32 1p6i s ARG 699 N -3.76 4.04 0.20 -3.49 0.52 -1.26 -4.77 118.95 110.43 1p6i s ARG 699 Ca 0.01 -0.30 0.10 0.00 -0.52 0.00 0.00 55.73 55.02 1p6i s ARG 699 Cb -0.01 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 1p6i s ARG 699 CO -0.12 0.21 -0.19 -0.51 0.02 0.00 0.00 175.30 174.70 1p6i s LEU 700 N 0.60 2.49 0.18 2.53 1.43 -1.26 -3.45 118.68 121.19 1p6i s LEU 700 Ca 0.06 -0.92 0.11 0.00 -1.03 0.00 0.00 54.13 52.35 1p6i s LEU 700 Cb -0.12 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 1p6i s LEU 700 CO 0.01 -0.01 -0.24 0.42 0.23 0.00 0.00 176.35 176.75 1p6i s THR 701 N -2.22 2.37 0.88 5.49 -4.23 -1.26 -4.23 115.64 112.44 1p6i s THR 701 Ca 0.20 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 58.66 1p6i s THR 701 Cb -0.05 -2.11 0.11 0.00 1.34 0.00 0.00 72.50 71.78 1p6i s THR 701 CO 0.09 -0.06 1.03 -2.65 -0.54 0.00 0.00 174.62 172.49 1p6i n PRO 702 N 0.43 -0.22 -3.82 3.99 -0.02 -1.26 -5.01 135.00 129.09 1p6i n PRO 702 Ca -0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.25 1p6i n PRO 702 Cb 0.55 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1p6i n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1p6i s SER 703 N -2.35 -0.20 -0.24 2.55 1.04 -0.66 -3.91 113.70 109.94 1p6i s SER 703 Ca 0.67 -0.62 -0.07 0.00 0.48 0.00 0.00 55.95 56.41 1p6i s SER 703 Cb -0.25 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1p6i s SER 703 CO 0.57 -1.08 0.06 -0.36 0.98 0.00 0.00 173.24 173.41 1p6i s PHE 704 N -3.92 3.10 0.27 5.02 0.40 -1.26 -0.92 117.98 120.67 1p6i s PHE 704 Ca 0.13 -0.36 0.11 0.00 -0.60 0.00 0.00 56.93 56.21 1p6i s PHE 704 Cb -0.01 -2.20 -0.05 0.00 0.51 0.00 0.00 43.02 41.27 1p6i s PHE 704 CO 0.01 -0.28 -0.14 -1.21 0.70 0.00 0.00 175.22 174.30 1p6i s GLU 705 N 1.39 1.87 0.57 0.44 0.41 0.17 -4.92 118.70 118.63 1p6i s GLU 705 Ca 0.05 -1.64 -0.12 0.00 -0.41 0.00 0.00 54.97 52.86 1p6i s GLU 705 Cb -0.15 -1.90 -0.05 0.00 -1.78 0.00 0.00 34.13 30.25 1p6i s GLU 705 CO 0.03 0.35 0.98 0.71 -0.49 0.00 0.00 175.26 176.84 1p6i s TYR 706 N -2.40 3.57 -0.01 1.61 4.12 -1.26 -0.58 117.35 122.41 1p6i s TYR 706 Ca 0.30 1.28 -0.13 0.00 0.02 0.00 0.00 57.07 58.53 1p6i s TYR 706 Cb -0.06 -2.68 0.02 0.00 -1.52 0.00 0.00 41.96 37.72 1p6i s TYR 706 CO 0.16 -0.55 0.27 1.14 0.02 0.00 0.00 175.55 176.60 1p6i s GLN 707 N -4.81 0.64 0.38 -0.62 -2.07 -1.26 -4.73 119.66 107.18 1p6i s GLN 707 Ca 0.55 -0.25 -0.26 0.00 -1.82 0.00 0.00 55.36 53.58 1p6i s GLN 707 Cb -0.11 0.28 -0.12 0.00 -1.09 0.00 0.00 33.01 31.98 1p6i s GLN 707 CO 0.47 -0.17 1.01 -2.30 -1.32 0.00 0.00 175.29 172.98 1p6i n PRO 708 N 1.27 1.38 -1.89 9.60 -0.02 -1.26 -4.88 135.00 139.20 1p6i n PRO 708 Ca -0.22 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 1p6i n PRO 708 Cb 0.56 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 1p6i n PRO 708 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1p6i s ASP 709 N -0.66 6.49 0.24 2.55 1.01 -1.26 -4.90 116.67 120.14 1p6i s ASP 709 Ca 0.61 2.86 -0.05 0.00 0.71 0.00 0.00 52.55 56.68 1p6i s ASP 709 Cb -0.60 -2.64 0.39 0.00 1.01 0.00 0.00 42.92 41.08 1p6i s ASP 709 CO 0.58 -0.80 1.78 1.55 0.21 0.00 0.00 175.17 178.49 1p6i h PRO 710 N 4.42 0.61 0.00 8.23 0.13 -1.92 -2.22 132.00 141.25 1p6i h PRO 710 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1p6i h PRO 710 Cb 1.22 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1p6i h PRO 710 CO 0.75 0.41 0.00 -2.67 -0.23 0.00 0.00 178.00 176.25 1p6i n TRP 711 N -4.85 0.00 0.01 1.56 2.14 -1.26 0.17 117.44 115.20 1p6i n TRP 711 Ca 0.13 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.75 1p6i n TRP 711 Cb 0.31 -0.09 0.11 0.00 -0.81 0.00 0.00 31.31 30.84 1p6i n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1p6i n ASN 712 N -1.09 2.56 0.00 -0.67 3.02 -0.83 -4.58 115.26 113.67 1p6i n ASN 712 Ca 0.02 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 1p6i n ASN 712 Cb 0.01 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1p6i n ASN 712 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1p6i n THR 713 N 0.47 0.00 -2.37 3.41 -1.04 0.91 -5.02 114.28 110.64 1p6i n THR 713 Ca 0.09 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.68 1p6i n THR 713 Cb 0.37 0.49 -0.03 0.00 -1.82 0.00 0.00 70.33 69.34 1p6i n THR 713 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1p6i s HIS 714 N 0.00 3.29 -0.70 -1.42 5.04 0.12 -4.99 115.29 116.63 1p6i s HIS 714 Ca 0.00 1.18 -0.12 0.00 -1.54 0.00 0.00 55.06 54.58 1p6i s HIS 714 Cb 0.00 -3.48 0.18 0.00 0.04 0.00 0.00 32.58 29.32 1p6i s HIS 714 CO 0.00 -1.57 0.62 0.14 -2.34 0.00 0.00 174.74 171.59 1p6i s VAL 715 N 1.46 5.10 -1.25 0.89 -7.23 -1.26 -4.98 120.40 113.12 1p6i s VAL 715 Ca 0.60 -2.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1p6i s VAL 715 Cb -0.30 -4.21 0.00 0.00 0.56 0.00 0.00 36.38 32.43 1p6i s VAL 715 CO 0.28 -0.95 0.31 0.79 -0.31 0.00 0.00 175.10 175.22