#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g6i s PHE 300 N 0.00 3.49 -0.12 -0.14 0.40 -1.26 -4.82 117.98 115.53 2g6i s PHE 300 Ca 0.00 0.71 0.00 0.00 -0.60 0.00 0.00 56.93 57.04 2g6i s PHE 300 Cb 0.00 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.11 2g6i s PHE 300 CO 0.00 0.24 -0.13 -0.51 0.70 0.00 0.00 175.22 175.52 2g6i s LEU 301 N 0.43 2.71 -0.01 -0.37 1.43 -0.99 -4.94 118.68 116.94 2g6i s LEU 301 Ca 0.20 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2g6i s LEU 301 Cb -0.14 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2g6i s LEU 301 CO 0.06 0.18 0.00 -0.54 0.23 0.00 0.00 176.35 176.29 2g6i s LYS 302 N 0.27 2.82 0.01 1.70 1.02 -1.26 0.93 119.74 125.22 2g6i s LYS 302 Ca -0.10 -0.58 0.06 0.00 0.02 0.00 0.00 55.97 55.38 2g6i s LYS 302 Cb -0.16 -2.69 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2g6i s LYS 302 CO 0.05 0.64 -0.19 0.14 -0.92 0.00 0.00 175.35 175.07 2g6i s VAL 303 N -1.06 1.52 0.10 3.17 -7.23 0.16 -4.95 120.40 112.10 2g6i s VAL 303 Ca 0.19 -0.93 0.10 0.00 -1.81 0.00 0.00 61.98 59.52 2g6i s VAL 303 Cb -0.11 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2g6i s VAL 303 CO 0.09 0.33 -0.25 -0.75 -0.31 0.00 0.00 175.10 174.21 2g6i s LYS 304 N -0.70 1.43 -0.30 4.82 2.20 -1.26 -0.01 119.74 125.93 2g6i s LYS 304 Ca 0.07 -1.23 -0.10 0.00 -0.36 0.00 0.00 55.97 54.35 2g6i s LYS 304 Cb -0.08 -1.79 -0.02 0.00 -1.51 0.00 0.00 37.83 34.43 2g6i s LYS 304 CO 0.00 0.43 0.15 1.21 -0.36 0.00 0.00 175.35 176.79 2g6i s ASN 305 N -1.79 5.59 0.00 1.43 3.84 -0.49 -1.87 114.94 121.65 2g6i s ASN 305 Ca 0.12 -0.36 0.20 0.00 0.21 0.00 0.00 52.86 53.02 2g6i s ASN 305 Cb -0.10 -2.02 1.18 0.00 -0.55 0.00 0.00 41.25 39.77 2g6i s ASN 305 CO 0.05 -0.14 1.63 0.79 -2.79 0.00 0.00 177.10 176.63 2g6i n TRP 306 N 5.00 0.00 -0.03 0.43 7.02 -0.28 0.18 117.44 129.75 2g6i n TRP 306 Ca -0.14 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.35 2g6i n TRP 306 Cb 0.50 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.28 2g6i n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2g6i n GLU 307 N -0.90 1.01 0.00 -0.99 4.07 -1.26 -4.63 120.64 117.94 2g6i n GLU 307 Ca 0.15 -0.08 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 2g6i n GLU 307 Cb 0.07 -1.36 0.00 0.00 -0.06 0.00 0.00 31.44 30.09 2g6i n GLU 307 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2g6i n THR 308 N -2.24 0.00 -0.65 6.31 -2.24 -1.16 -5.01 114.28 109.30 2g6i n THR 308 Ca -0.11 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2g6i n THR 308 Cb 0.64 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 2g6i n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2g6i n ASP 309 N -0.40 -0.78 -4.71 3.42 10.43 0.13 -4.94 116.55 119.70 2g6i n ASP 309 Ca 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.94 2g6i n ASP 309 Cb 0.02 -2.17 -0.03 0.00 1.84 0.00 0.00 41.12 40.78 2g6i n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2g6i s VAL 310 N -1.50 2.78 -0.09 2.53 1.01 -1.24 -4.72 120.40 119.17 2g6i s VAL 310 Ca 0.00 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.44 2g6i s VAL 310 Cb 0.00 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2g6i s VAL 310 CO 0.00 0.02 -0.10 -0.69 0.00 0.00 0.00 175.10 174.33 2g6i s VAL 311 N 1.76 3.42 0.14 2.92 1.01 -1.26 -1.40 120.40 126.99 2g6i s VAL 311 Ca 0.72 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 62.24 2g6i s VAL 311 Cb -0.42 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2g6i s VAL 311 CO 0.32 0.56 -0.25 -0.76 0.00 0.00 0.00 175.10 174.97 2g6i s LEU 312 N -0.35 2.34 -0.12 3.92 1.43 0.99 -4.95 118.68 121.94 2g6i s LEU 312 Ca 0.04 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.37 2g6i s LEU 312 Cb -0.12 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 2g6i s LEU 312 CO 0.02 0.14 -0.10 -0.89 0.23 0.00 0.00 176.35 175.75 2g6i s THR 313 N -1.21 3.36 -0.20 5.49 2.01 -1.26 -0.67 115.64 123.15 2g6i s THR 313 Ca 0.14 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 2g6i s THR 313 Cb -0.10 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 2g6i s THR 313 CO 0.06 0.53 -0.00 -0.62 -0.69 0.00 0.00 174.62 173.90 2g6i s ASP 314 N 0.12 4.78 -0.01 3.53 -1.08 0.26 -4.62 116.67 119.65 2g6i s ASP 314 Ca -0.04 -0.22 0.02 0.00 -0.52 0.00 0.00 52.55 51.79 2g6i s ASP 314 Cb -0.14 -1.82 -0.03 0.00 -1.46 0.00 0.00 42.92 39.47 2g6i s ASP 314 CO 0.04 0.06 0.04 0.35 0.52 0.00 0.00 175.17 176.18 2g6i n THR 315 N 4.30 0.04 0.01 1.71 -2.24 0.21 -2.34 114.28 115.97 2g6i n THR 315 Ca -0.17 -0.06 0.15 0.00 -2.27 0.00 0.00 64.05 61.69 2g6i n THR 315 Cb 0.52 0.11 0.61 0.00 -2.10 0.00 0.00 70.33 69.46 2g6i n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2g6i h LEU 316 N 0.00 0.15 -2.64 3.22 5.85 -1.57 -1.67 115.31 118.64 2g6i h LEU 316 Ca -0.01 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.72 2g6i h LEU 316 Cb 0.36 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2g6i h LEU 316 CO 0.00 0.09 0.07 1.12 -0.34 0.00 0.00 178.44 179.38 2g6i h HIS 317 N 0.16 0.00 0.00 1.25 2.07 -1.84 -0.55 115.15 116.25 2g6i h HIS 317 Ca 0.22 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.72 2g6i h HIS 317 Cb 0.64 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.62 2g6i h HIS 317 CO -0.00 0.00 -0.07 -0.07 -3.07 0.00 0.00 177.93 174.72 2g6i h LEU 318 N 0.00 0.00 -0.12 6.12 3.38 -1.65 -0.02 115.31 123.02 2g6i h LEU 318 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2g6i h LEU 318 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2g6i h LEU 318 CO -0.00 0.07 -0.01 0.29 0.09 0.00 0.00 178.44 178.87 2g6i n LYS 319 N -4.09 0.90 -2.54 1.13 4.76 -0.21 -4.80 118.16 113.31 2g6i n LYS 319 Ca -0.03 -0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 54.87 2g6i n LYS 319 Cb 0.15 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.82 2g6i n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2g6i s SER 320 N -2.18 7.13 -0.04 4.39 0.15 -0.02 -4.89 113.70 118.23 2g6i s SER 320 Ca 0.40 1.75 0.05 0.00 0.70 0.00 0.00 55.95 58.86 2g6i s SER 320 Cb 0.21 -2.56 -0.07 0.00 -1.71 0.00 0.00 66.02 61.89 2g6i s SER 320 CO 0.40 -0.51 0.04 0.35 1.20 0.00 0.00 173.24 174.73 2g6i n THR 321 N 4.45 0.28 -1.29 6.45 -2.24 -1.25 -5.04 114.28 115.63 2g6i n THR 321 Ca 0.10 -0.20 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 2g6i n THR 321 Cb 0.47 -0.57 0.14 0.00 -2.10 0.00 0.00 70.33 68.28 2g6i n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2g6i s LEU 322 N -4.15 2.05 0.32 3.22 1.43 -1.26 -5.06 118.68 115.22 2g6i s LEU 322 Ca -0.02 1.28 0.05 0.00 -1.03 0.00 0.00 54.13 54.40 2g6i s LEU 322 Cb 0.02 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2g6i s LEU 322 CO 0.22 -2.70 0.46 -1.61 0.23 0.00 0.00 176.35 172.96 2g6i s GLU 323 N -5.03 3.26 -0.10 1.70 2.02 -1.26 -4.71 118.70 114.58 2g6i s GLU 323 Ca 0.64 -0.80 0.14 0.00 0.02 0.00 0.00 54.97 54.97 2g6i s GLU 323 Cb -0.17 -2.80 -0.21 0.00 0.10 0.00 0.00 34.13 31.05 2g6i s GLU 323 CO 0.56 0.16 0.17 0.25 0.02 0.00 0.00 175.26 176.42 2g6i n THR 324 N -1.63 0.60 0.00 3.63 -2.24 -1.26 -4.82 114.28 108.57 2g6i n THR 324 Ca -0.03 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2g6i n THR 324 Cb 0.57 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2g6i n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g6i n GLY 325 N 1.89 2.93 3.93 3.38 0.00 -1.26 -4.89 105.19 111.16 2g6i n GLY 325 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2g6i n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g6i s THR 327 N -2.51 0.52 -1.08 0.00 -4.23 -0.27 -4.99 115.64 103.08 2g6i s THR 327 Ca 0.43 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.02 2g6i s THR 327 Cb -0.10 -2.53 0.08 0.00 1.34 0.00 0.00 72.50 71.30 2g6i s THR 327 CO 0.40 0.00 1.23 -0.62 -0.54 0.00 0.00 174.62 175.09 2g6i n GLU 328 N -0.66 0.02 0.00 3.99 4.71 -1.26 -2.47 120.64 124.97 2g6i n GLU 328 Ca -0.01 0.34 0.02 0.00 -0.01 0.00 0.00 57.16 57.49 2g6i n GLU 328 Cb 0.65 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.59 2g6i n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2g6i n HIS 329 N -1.46 0.00 -3.64 -0.32 8.25 -1.26 -5.03 115.22 111.76 2g6i n HIS 329 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 2g6i n HIS 329 Cb 0.09 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 2g6i n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2g6i s ILE 330 N -0.52 -0.00 -0.20 1.59 2.07 -1.03 -5.14 121.20 117.96 2g6i s ILE 330 Ca 0.03 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.19 2g6i s ILE 330 Cb 0.03 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 2g6i s ILE 330 CO 0.06 0.00 0.10 0.00 -1.91 0.00 0.00 174.94 173.19 2g6i n MET 332 N 3.70 2.06 0.32 0.00 0.00 -1.26 -4.78 117.12 117.17 2g6i n MET 332 Ca -0.16 -3.37 0.20 0.00 0.00 0.00 0.00 57.70 54.37 2g6i n MET 332 Cb 0.52 -1.86 1.07 0.00 0.00 0.00 0.00 33.22 32.95 2g6i n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 2g6i h GLY 333 N 1.21 0.00 -1.88 3.03 0.00 -1.93 -2.01 103.07 101.50 2g6i h GLY 333 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2g6i h GLY 333 CO 0.41 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.81 2g6i n SER 334 N -3.15 3.35 -4.71 0.19 3.41 -1.26 -4.82 113.62 106.63 2g6i n SER 334 Ca -0.02 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 56.19 2g6i n SER 334 Cb 0.17 -0.33 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 2g6i n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2g6i s ILE 335 N -1.01 4.94 0.13 -1.33 -1.09 -0.76 -4.97 121.20 117.11 2g6i s ILE 335 Ca 0.34 1.76 -0.16 0.00 -2.23 0.00 0.00 60.65 60.37 2g6i s ILE 335 Cb 0.18 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 2g6i s ILE 335 CO 0.23 0.18 1.65 0.24 -1.23 0.00 0.00 174.94 176.01 2g6i h MET 336 N 6.84 0.62 -2.77 2.79 2.86 -1.92 -3.37 114.93 119.97 2g6i h MET 336 Ca -0.40 -0.13 -0.61 0.00 -2.06 0.00 0.00 59.70 56.50 2g6i h MET 336 Cb 1.20 -0.09 -0.40 0.00 0.06 0.00 0.00 31.60 32.37 2g6i h MET 336 CO 0.76 0.62 -0.77 -0.51 1.06 0.00 0.00 176.91 178.07 2g6i s LEU 337 N -9.69 3.01 0.32 1.22 1.43 -1.26 -5.15 118.68 108.55 2g6i s LEU 337 Ca -0.13 -3.30 0.05 0.00 -1.03 0.00 0.00 54.13 49.72 2g6i s LEU 337 Cb 0.10 -1.02 0.70 0.00 0.03 0.00 0.00 46.19 45.99 2g6i s LEU 337 CO 0.76 -0.15 1.85 -0.65 0.23 0.00 0.00 176.35 178.39 2g6i h PRO 338 N 5.74 0.80 -6.40 1.29 0.11 -1.91 -3.54 132.00 128.10 2g6i h PRO 338 Ca 0.17 -0.05 -0.54 0.00 0.11 0.00 0.00 66.00 65.69 2g6i h PRO 338 Cb 0.85 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 2g6i h PRO 338 CO 0.53 0.53 -0.06 0.54 -0.21 0.00 0.00 178.00 179.33 2g6i s VAL 348 N -5.81 4.84 0.71 3.15 0.11 -1.26 -4.98 120.40 117.17 2g6i s VAL 348 Ca -0.11 0.78 -0.14 0.00 -2.93 0.00 0.00 61.98 59.58 2g6i s VAL 348 Cb 0.22 -3.70 0.03 0.00 -1.53 0.00 0.00 36.38 31.40 2g6i s VAL 348 CO 0.80 0.12 1.14 -0.13 -3.33 0.00 0.00 175.10 173.70 2g6i s ARG 349 N -2.27 2.38 0.35 1.54 0.52 -1.26 -5.07 118.95 115.14 2g6i s ARG 349 Ca 0.42 1.50 0.09 0.00 -0.52 0.00 0.00 55.73 57.22 2g6i s ARG 349 Cb -0.14 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.39 2g6i s ARG 349 CO 0.20 -1.60 0.03 0.95 0.02 0.00 0.00 175.30 174.90 2g6i s THR 350 N -2.30 2.57 0.26 0.02 -4.23 -1.26 -4.99 115.64 105.71 2g6i s THR 350 Ca 0.69 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2g6i s THR 350 Cb -0.23 -2.84 0.24 0.00 1.34 0.00 0.00 72.50 71.01 2g6i s THR 350 CO 0.45 -0.17 1.76 0.11 -0.54 0.00 0.00 174.62 176.24 2g6i h LYS 351 N 1.76 0.61 -0.39 3.99 1.57 -1.97 -0.03 116.57 122.10 2g6i h LYS 351 Ca -0.43 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.36 2g6i h LYS 351 Cb 1.25 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.35 2g6i h LYS 351 CO 0.68 0.40 -0.47 -0.44 -0.57 0.00 0.00 179.45 179.05 2g6i h ASP 352 N 0.63 -1.59 0.95 0.86 5.19 -2.00 -2.50 116.42 117.95 2g6i h ASP 352 Ca 0.46 0.21 -0.09 0.00 -0.62 0.00 0.00 57.03 57.00 2g6i h ASP 352 Cb 0.64 0.66 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 2g6i h ASP 352 CO -0.36 -0.32 -0.41 0.06 -3.12 0.00 0.00 179.24 175.08 2g6i h GLN 353 N -0.30 0.00 -0.12 3.56 3.07 -1.82 -3.35 115.11 116.15 2g6i h GLN 353 Ca 0.07 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.59 2g6i h GLN 353 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.05 2g6i h GLN 353 CO -0.53 0.41 -0.77 1.25 0.09 0.00 0.00 178.83 179.29 2g6i h LEU 354 N 0.00 0.89 -0.23 0.06 5.85 -0.60 -3.30 115.31 117.99 2g6i h LEU 354 Ca -0.00 -0.65 0.03 0.00 0.84 0.00 0.00 57.88 58.10 2g6i h LEU 354 Cb 1.00 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 2g6i h LEU 354 CO 0.05 1.40 -0.49 -0.26 -0.34 0.00 0.00 178.44 178.80 2g6i h PHE 355 N 0.45 -1.48 -0.56 1.25 0.05 -1.60 -0.79 116.94 114.25 2g6i h PHE 355 Ca -0.06 0.06 0.10 0.00 3.82 0.00 0.00 57.97 61.89 2g6i h PHE 355 Cb 1.41 0.68 -0.07 0.00 2.00 0.00 0.00 35.95 39.96 2g6i h PHE 355 CO 0.09 -0.47 0.14 -1.35 -0.18 0.00 0.00 178.31 176.55 2g6i h PRO 356 N -0.45 0.28 -0.75 1.51 0.11 -1.77 -1.08 132.00 129.85 2g6i h PRO 356 Ca 0.04 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 2g6i h PRO 356 Cb 0.58 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.58 2g6i h PRO 356 CO -0.45 0.19 0.47 -0.07 -0.21 0.00 0.00 178.00 177.92 2g6i h LEU 357 N 0.29 0.88 -0.10 2.35 3.38 -1.55 -0.36 115.31 120.20 2g6i h LEU 357 Ca 0.29 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 2g6i h LEU 357 Cb 0.39 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2g6i h LEU 357 CO -0.34 0.67 -0.25 0.00 0.09 0.00 0.00 178.44 178.60 2g6i h ALA 358 N 1.49 0.17 -0.30 1.53 0.00 -0.35 -2.57 119.26 119.23 2g6i h ALA 358 Ca 0.27 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2g6i h ALA 358 Cb -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2g6i h ALA 358 CO -0.05 0.16 0.17 -0.22 0.00 0.00 0.00 179.25 179.30 2g6i h LYS 359 N -0.09 0.34 -0.19 0.00 3.64 -0.92 0.52 116.57 119.86 2g6i h LYS 359 Ca -0.00 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2g6i h LYS 359 Cb 0.85 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.54 2g6i h LYS 359 CO 0.05 0.22 -0.21 1.49 -2.27 0.00 0.00 179.45 178.74 2g6i h GLU 360 N 0.35 -0.23 -0.08 1.90 4.81 -1.10 0.19 114.58 120.41 2g6i h GLU 360 Ca 0.12 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2g6i h GLU 360 Cb 0.01 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2g6i h GLU 360 CO -0.06 -0.15 0.05 0.35 -0.73 0.00 0.00 179.01 178.47 2g6i h PHE 361 N -0.24 0.10 -0.48 0.92 3.57 -1.08 -1.83 116.94 117.91 2g6i h PHE 361 Ca 0.12 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2g6i h PHE 361 Cb 0.42 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2g6i h PHE 361 CO -0.35 0.07 0.17 -0.07 -2.23 0.00 0.00 178.31 175.90 2g6i h LEU 362 N 0.11 0.64 -0.52 0.59 3.38 -0.48 0.28 115.31 119.31 2g6i h LEU 362 Ca 0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2g6i h LEU 362 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2g6i h LEU 362 CO -0.01 0.60 0.22 0.44 0.09 0.00 0.00 178.44 179.78 2g6i h ASP 363 N 0.69 0.70 -0.56 -0.43 3.45 -0.37 0.15 116.42 120.05 2g6i h ASP 363 Ca 0.16 -0.16 -0.08 0.00 0.43 0.00 0.00 57.03 57.38 2g6i h ASP 363 Cb 0.18 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 2g6i h ASP 363 CO -0.01 0.66 0.03 1.56 -1.57 0.00 0.00 179.24 179.91 2g6i h GLN 364 N 0.69 0.99 0.28 3.56 4.20 -0.62 -1.43 115.11 122.79 2g6i h GLN 364 Ca 0.17 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2g6i h GLN 364 Cb 0.17 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2g6i h GLN 364 CO -0.02 0.96 -0.13 -0.92 -0.67 0.00 0.00 178.83 178.05 2g6i h TYR 365 N 0.92 -0.35 0.00 2.96 3.20 -0.68 -2.00 116.97 121.02 2g6i h TYR 365 Ca 0.17 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 2g6i h TYR 365 Cb 0.49 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2g6i h TYR 365 CO 0.03 -0.07 -0.18 1.88 -1.64 0.00 0.00 178.16 178.18 2g6i h TYR 366 N -0.60 0.00 -0.25 -3.82 -1.99 -0.64 -2.37 116.97 107.30 2g6i h TYR 366 Ca -0.04 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.61 2g6i h TYR 366 Cb 0.43 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.16 2g6i h TYR 366 CO 0.00 0.18 -0.15 0.77 -0.00 0.00 0.00 178.16 178.96 2g6i h SER 367 N 0.00 0.57 0.05 3.88 0.02 -1.17 0.12 113.55 117.01 2g6i h SER 367 Ca -0.00 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2g6i h SER 367 Cb 0.34 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2g6i h SER 367 CO 0.02 0.87 -0.04 0.77 -1.14 0.00 0.00 176.83 177.32 2g6i h SER 368 N 0.27 0.00 -0.42 3.07 4.64 -0.85 -0.47 113.55 119.79 2g6i h SER 368 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2g6i h SER 368 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2g6i h SER 368 CO 0.04 0.04 0.00 2.30 -0.87 0.00 0.00 176.83 178.34 2g6i n ILE 369 N -4.34 0.55 -3.39 0.95 -5.35 -1.01 -4.95 119.36 101.82 2g6i n ILE 369 Ca -0.03 -0.66 -0.19 0.00 -0.27 0.00 0.00 62.75 61.61 2g6i n ILE 369 Cb 0.12 0.57 0.08 0.00 -1.74 0.00 0.00 39.64 38.66 2g6i n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2g6i n LYS 370 N 1.07 -6.58 -0.95 6.28 4.76 -0.19 -4.92 118.16 117.64 2g6i n LYS 370 Ca 0.18 0.75 0.03 0.00 -2.87 0.00 0.00 58.31 56.40 2g6i n LYS 370 Cb 0.48 -5.51 0.05 0.00 -1.84 0.00 0.00 35.03 28.21 2g6i n LYS 370 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2g6i n ARG 371 N -4.19 0.29 -1.89 1.97 5.12 0.37 -5.03 116.66 113.30 2g6i n ARG 371 Ca -0.11 -1.87 -0.42 0.00 -1.93 0.00 0.00 57.85 53.52 2g6i n ARG 371 Cb 0.60 -0.48 -0.03 0.00 -1.16 0.00 0.00 32.46 31.39 2g6i n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2g6i s PHE 372 N -0.62 2.31 0.00 -1.55 5.36 -1.06 -1.57 117.98 120.86 2g6i s PHE 372 Ca 0.23 0.23 0.00 0.00 -0.96 0.00 0.00 56.93 56.43 2g6i s PHE 372 Cb 0.25 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.92 2g6i s PHE 372 CO -0.09 -4.08 0.00 0.41 -1.46 0.00 0.00 175.22 170.00 2g6i n GLY 373 N 4.06 1.73 3.41 13.12 0.00 -1.26 -5.02 105.19 121.22 2g6i n GLY 373 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2g6i n GLY 373 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2g6i n SER 374 N 0.00 -2.22 -0.13 1.61 3.41 -0.61 -4.71 113.62 110.98 2g6i n SER 374 Ca 0.00 -0.29 -0.12 0.00 -0.26 0.00 0.00 58.87 58.20 2g6i n SER 374 Cb 0.00 -1.19 -0.02 0.00 -0.26 0.00 0.00 64.21 62.73 2g6i n SER 374 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2g6i h LYS 375 N -2.83 0.78 -0.87 4.33 3.64 -1.96 -1.61 116.57 118.04 2g6i h LYS 375 Ca -0.61 -0.34 0.11 0.00 -1.27 0.00 0.00 60.65 58.54 2g6i h LYS 375 Cb 1.34 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 2g6i h LYS 375 CO 0.46 0.96 0.51 0.00 -2.27 0.00 0.00 179.45 179.11 2g6i h ALA 376 N 0.80 1.27 0.06 5.00 0.00 -1.91 0.31 119.26 124.80 2g6i h ALA 376 Ca 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2g6i h ALA 376 Cb 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2g6i h ALA 376 CO 0.05 0.11 -0.03 1.25 0.00 0.00 0.00 179.25 180.64 2g6i h HIS 377 N 0.83 -0.08 -0.57 0.00 -0.00 -1.73 -1.67 115.15 111.94 2g6i h HIS 377 Ca 0.43 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.79 2g6i h HIS 377 Cb 0.42 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.83 2g6i h HIS 377 CO -0.05 0.15 0.34 0.52 -0.00 0.00 0.00 177.93 178.90 2g6i h MET 378 N -0.30 0.77 -0.59 5.26 2.07 -0.44 -1.97 114.93 119.72 2g6i h MET 378 Ca -0.01 -0.07 -0.02 0.00 -2.07 0.00 0.00 59.70 57.53 2g6i h MET 378 Cb 0.27 -0.16 -0.03 0.00 -1.87 0.00 0.00 31.60 29.81 2g6i h MET 378 CO 0.01 0.55 0.29 -0.44 1.07 0.00 0.00 176.91 178.40 2g6i h ASP 379 N 0.77 0.77 -0.54 1.22 3.32 -0.39 -1.41 116.42 120.16 2g6i h ASP 379 Ca 0.20 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.16 2g6i h ASP 379 Cb -0.02 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 2g6i h ASP 379 CO -0.04 0.68 0.32 -0.09 -1.72 0.00 0.00 179.24 178.39 2g6i h ARG 380 N 0.81 0.61 -0.72 3.56 9.65 -1.03 0.61 114.38 127.86 2g6i h ARG 380 Ca 0.21 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 2g6i h ARG 380 Cb 0.11 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 2g6i h ARG 380 CO -0.03 0.40 0.36 -0.07 2.80 0.00 0.00 179.97 183.43 2g6i h LEU 381 N 0.63 0.94 -0.23 3.80 3.38 -1.04 0.61 115.31 123.38 2g6i h LEU 381 Ca 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2g6i h LEU 381 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2g6i h LEU 381 CO -0.11 0.80 0.08 -0.08 0.09 0.00 0.00 178.44 179.22 2g6i h GLU 382 N 1.01 0.36 -0.38 1.13 4.57 -0.49 -1.57 114.58 119.21 2g6i h GLU 382 Ca 0.25 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.40 2g6i h GLU 382 Cb 0.10 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 2g6i h GLU 382 CO -0.03 0.42 0.13 1.49 -1.18 0.00 0.00 179.01 179.84 2g6i h GLU 383 N 0.22 0.28 0.00 1.92 4.81 0.64 -1.67 114.58 120.77 2g6i h GLU 383 Ca 0.08 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2g6i h GLU 383 Cb 0.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2g6i h GLU 383 CO -0.00 0.18 -0.00 0.28 -0.73 0.00 0.00 179.01 178.74 2g6i h VAL 384 N 0.28 1.14 -0.74 0.32 2.07 -0.74 -1.41 116.25 117.17 2g6i h VAL 384 Ca 0.17 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2g6i h VAL 384 Cb 0.15 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 2g6i h VAL 384 CO -0.18 0.11 0.47 0.78 0.02 0.00 0.00 177.57 178.77 2g6i h ASN 385 N -0.19 0.77 -0.26 0.57 -0.26 -1.18 0.32 115.58 115.36 2g6i h ASN 385 Ca -0.00 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2g6i h ASN 385 Cb 0.18 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 2g6i h ASN 385 CO 0.00 0.53 0.17 0.11 -1.06 0.00 0.00 177.43 177.18 2g6i h LYS 386 N 0.92 0.35 -0.99 0.81 1.57 -1.22 -0.53 116.57 117.47 2g6i h LYS 386 Ca 0.30 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.07 2g6i h LYS 386 Cb 0.02 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 2g6i h LYS 386 CO -0.11 0.25 0.65 1.49 -0.57 0.00 0.00 179.45 181.16 2g6i h GLU 387 N 0.34 1.26 0.57 3.15 4.81 -0.39 0.19 114.58 124.51 2g6i h GLU 387 Ca 0.09 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2g6i h GLU 387 Cb -0.01 -0.28 0.01 0.00 0.63 0.00 0.00 28.75 29.09 2g6i h GLU 387 CO -0.02 0.83 -0.27 0.82 -0.73 0.00 0.00 179.01 179.64 2g6i h ILE 388 N 1.30 0.00 -1.01 2.32 2.04 0.25 0.52 117.51 122.94 2g6i h ILE 388 Ca 0.38 -0.07 0.23 0.00 1.00 0.00 0.00 64.86 66.40 2g6i h ILE 388 Cb -0.09 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.88 2g6i h ILE 388 CO -0.10 0.00 0.61 -0.33 0.00 0.00 0.00 178.15 178.33 2g6i h GLU 389 N -0.83 0.59 -0.13 2.37 5.08 -1.03 3.54 114.58 124.16 2g6i h GLU 389 Ca -0.08 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 2g6i h GLU 389 Cb 0.58 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2g6i h GLU 389 CO 0.13 0.39 -0.55 1.03 -1.00 0.00 0.00 179.01 179.01 2g6i h SER 390 N 0.61 0.43 0.00 1.42 0.87 -0.77 -3.38 113.55 112.73 2g6i h SER 390 Ca 0.62 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2g6i h SER 390 Cb 1.17 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2g6i h SER 390 CO -0.43 0.90 0.00 0.35 -0.53 0.00 0.00 176.83 177.11 2g6i n THR 391 N -3.93 0.00 -1.04 2.23 -2.24 0.18 -5.01 114.28 104.47 2g6i n THR 391 Ca -0.03 -0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 61.49 2g6i n THR 391 Cb 0.59 1.34 -0.01 0.00 -2.10 0.00 0.00 70.33 70.15 2g6i n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2g6i n SER 392 N -0.16 -3.82 -0.40 3.42 7.64 1.16 -4.92 113.62 116.54 2g6i n SER 392 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2g6i n SER 392 Cb 0.08 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 2g6i n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2g6i n THR 393 N -2.74 0.00 -3.52 0.44 5.66 -1.24 -4.77 114.28 108.11 2g6i n THR 393 Ca -0.01 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.91 2g6i n THR 393 Cb 0.15 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.91 2g6i n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2g6i s TYR 394 N -4.99 -0.30 -0.12 1.09 -0.85 -1.26 -2.49 117.35 108.42 2g6i s TYR 394 Ca 0.00 0.20 -0.04 0.00 -0.52 0.00 0.00 57.07 56.71 2g6i s TYR 394 Cb 0.00 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 2g6i s TYR 394 CO 0.00 -0.47 0.02 -0.65 -1.52 0.00 0.00 175.55 172.93 2g6i s GLN 395 N -2.91 3.38 0.40 -3.49 -1.52 -1.26 -5.05 119.66 109.21 2g6i s GLN 395 Ca 0.06 -0.39 -0.22 0.00 -1.95 0.00 0.00 55.36 52.85 2g6i s GLN 395 Cb -0.01 -2.94 -0.11 0.00 -0.22 0.00 0.00 33.01 29.73 2g6i s GLN 395 CO -0.08 0.53 0.95 -0.51 -0.25 0.00 0.00 175.29 175.93 2g6i s LEU 396 N -0.38 4.04 0.63 2.90 1.43 -1.26 -5.04 118.68 120.99 2g6i s LEU 396 Ca 0.08 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 54.77 2g6i s LEU 396 Cb -0.12 -4.41 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 2g6i s LEU 396 CO 0.02 -0.29 1.04 -0.54 0.23 0.00 0.00 176.35 176.81 2g6i s LYS 397 N -2.91 3.31 0.20 1.70 -0.14 -1.26 -4.86 119.74 115.77 2g6i s LYS 397 Ca 0.59 0.99 -0.11 0.00 -1.36 0.00 0.00 55.97 56.09 2g6i s LYS 397 Cb -0.11 -2.04 0.25 0.00 -1.68 0.00 0.00 37.83 34.25 2g6i s LYS 397 CO 0.16 -0.80 1.73 -0.44 -0.76 0.00 0.00 175.35 175.23 2g6i h ASP 398 N -0.07 0.13 -0.96 2.83 5.19 -2.00 -1.75 116.42 119.79 2g6i h ASP 398 Ca -0.45 0.09 0.04 0.00 -0.62 0.00 0.00 57.03 56.08 2g6i h ASP 398 Cb 1.21 0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.75 2g6i h ASP 398 CO 0.58 0.09 0.63 0.71 -3.12 0.00 0.00 179.24 178.13 2g6i h THR 399 N 0.34 1.17 -0.42 0.35 1.35 -2.00 -1.67 112.91 112.03 2g6i h THR 399 Ca 0.29 -0.42 -0.12 0.00 -0.55 0.00 0.00 66.41 65.61 2g6i h THR 399 Cb 0.38 -0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.63 2g6i h THR 399 CO -0.32 0.22 -0.23 -0.33 -0.25 0.00 0.00 175.52 174.61 2g6i h GLU 400 N 1.21 0.84 -0.27 4.72 5.08 -1.78 -1.49 114.58 122.90 2g6i h GLU 400 Ca 0.38 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2g6i h GLU 400 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2g6i h GLU 400 CO -0.12 0.98 0.06 1.25 -1.00 0.00 0.00 179.01 180.19 2g6i h LEU 401 N 0.73 0.42 -0.53 1.33 5.85 -0.73 0.45 115.31 122.82 2g6i h LEU 401 Ca 0.10 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2g6i h LEU 401 Cb 0.76 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2g6i h LEU 401 CO 0.06 0.55 0.30 0.40 -0.34 0.00 0.00 178.44 179.41 2g6i h ILE 402 N 0.27 1.17 -0.45 4.05 2.04 -1.25 0.14 117.51 123.48 2g6i h ILE 402 Ca 0.09 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2g6i h ILE 402 Cb 0.30 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2g6i h ILE 402 CO 0.00 0.18 0.22 0.22 0.00 0.00 0.00 178.15 178.78 2g6i h TYR 403 N 0.71 0.64 -0.01 1.37 3.20 -1.06 -1.54 116.97 120.28 2g6i h TYR 403 Ca 0.19 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2g6i h TYR 403 Cb 0.03 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 2g6i h TYR 403 CO -0.02 0.51 -0.00 0.78 -1.64 0.00 0.00 178.16 177.79 2g6i h GLY 404 N 0.58 0.00 0.96 1.82 0.00 0.70 -1.72 103.07 105.42 2g6i h GLY 404 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2g6i h GLY 404 CO -0.02 -0.00 0.11 0.00 0.00 0.00 0.00 176.54 176.62 2g6i h ALA 405 N 1.01 0.24 -0.90 3.60 0.00 -0.65 -1.20 119.26 121.34 2g6i h ALA 405 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2g6i h ALA 405 Cb 0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2g6i h ALA 405 CO -0.01 -0.24 0.57 0.87 0.00 0.00 0.00 179.25 180.43 2g6i h LYS 406 N 0.21 1.00 0.00 0.00 1.57 -1.23 -2.47 116.57 115.65 2g6i h LYS 406 Ca 0.07 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2g6i h LYS 406 Cb 0.04 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2g6i h LYS 406 CO -0.01 0.66 -0.63 0.45 -0.57 0.00 0.00 179.45 179.35 2g6i h HIS 407 N 1.03 0.00 -0.79 -1.35 3.86 -0.86 -1.35 115.15 115.68 2g6i h HIS 407 Ca 0.39 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.58 2g6i h HIS 407 Cb 0.17 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.61 2g6i h HIS 407 CO -0.02 0.63 0.39 0.00 0.86 0.00 0.00 177.93 179.79 2g6i h ALA 408 N 1.37 1.21 -0.06 2.45 0.00 -0.79 0.21 119.26 123.65 2g6i h ALA 408 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2g6i h ALA 408 Cb 1.20 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2g6i h ALA 408 CO 0.08 0.61 -0.01 2.35 0.00 0.00 0.00 179.25 182.29 2g6i h TRP 409 N 1.12 0.13 -0.81 0.00 7.01 -1.17 -2.02 115.95 120.20 2g6i h TRP 409 Ca 0.27 -0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.36 2g6i h TRP 409 Cb 0.09 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.06 2g6i h TRP 409 CO 0.01 0.41 0.53 -0.09 -2.79 0.00 0.00 178.44 176.51 2g6i h ARG 410 N -0.20 0.67 -0.01 2.65 2.43 -0.77 -1.41 114.38 117.75 2g6i h ARG 410 Ca 0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2g6i h ARG 410 Cb 0.37 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2g6i h ARG 410 CO 0.00 0.45 -0.04 0.09 -1.51 0.00 0.00 179.97 178.96 2g6i n ASN 411 N -4.51 1.10 -4.55 -3.80 3.02 0.70 -4.82 115.26 102.39 2g6i n ASN 411 Ca 0.14 -1.26 -0.38 0.00 -0.03 0.00 0.00 54.58 53.05 2g6i n ASN 411 Cb 0.37 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 2g6i n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2g6i s ALA 412 N -2.10 2.36 0.56 5.41 0.00 -0.53 -4.70 121.76 122.76 2g6i s ALA 412 Ca 0.37 -1.21 0.41 0.00 0.00 0.00 0.00 51.96 51.53 2g6i s ALA 412 Cb 0.21 -4.35 2.16 0.00 0.00 0.00 0.00 23.12 21.14 2g6i s ALA 412 CO 0.37 -3.79 2.29 0.66 0.00 0.00 0.00 175.76 175.30 2g6i h SER 413 N 12.16 0.00 0.15 0.00 4.64 -1.88 -2.28 113.55 126.34 2g6i h SER 413 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2g6i h SER 413 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2g6i h SER 413 CO 1.26 0.01 -0.15 0.54 -0.87 0.00 0.00 176.83 177.62 2g6i n ARG 414 N -3.19 1.13 -3.33 4.77 1.74 -1.26 -0.34 116.66 116.17 2g6i n ARG 414 Ca -0.02 -0.65 -0.40 0.00 -0.77 0.00 0.00 57.85 56.01 2g6i n ARG 414 Cb 0.12 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 2g6i n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2g6i n VAL 416 N 5.17 0.00 -0.46 0.00 3.14 -1.26 -3.89 118.33 121.03 2g6i n VAL 416 Ca -0.07 -0.01 0.07 0.00 -2.96 0.00 0.00 64.34 61.37 2g6i n VAL 416 Cb 0.50 -0.12 0.33 0.00 -1.06 0.00 0.00 33.84 33.49 2g6i n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2g6i n GLY 417 N 1.47 2.56 0.00 7.55 0.00 -1.26 -4.46 105.19 111.05 2g6i n GLY 417 Ca 0.07 -0.77 0.04 0.00 0.00 0.00 0.00 46.02 45.37 2g6i n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g6i n ARG 418 N 0.77 0.04 0.34 1.61 1.74 -1.25 -2.51 116.66 117.40 2g6i n ARG 418 Ca 0.23 0.30 0.22 0.00 -0.77 0.00 0.00 57.85 57.83 2g6i n ARG 418 Cb 0.92 -1.50 1.19 0.00 -1.02 0.00 0.00 32.46 32.05 2g6i n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2g6i h ILE 419 N 0.00 0.01 -0.07 0.55 2.10 -1.89 -1.21 117.51 117.00 2g6i h ILE 419 Ca 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.91 2g6i h ILE 419 Cb 0.13 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 2g6i h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 2g6i n GLN 420 N -3.10 1.80 -0.34 2.19 1.13 -1.04 -4.66 117.38 113.36 2g6i n GLN 420 Ca -0.03 -1.17 0.20 0.00 -1.94 0.00 0.00 57.00 54.06 2g6i n GLN 420 Cb 0.08 -1.46 0.42 0.00 0.11 0.00 0.00 30.24 29.39 2g6i n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 2g6i h TRP 421 N 2.71 0.98 0.00 1.08 5.08 -1.43 -0.78 115.95 123.58 2g6i h TRP 421 Ca 0.00 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.01 2g6i h TRP 421 Cb 0.58 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 26.47 2g6i h TRP 421 CO 0.04 -0.01 0.00 -1.13 -1.28 0.00 0.00 178.44 176.05 2g6i n SER 422 N -4.93 0.40 -1.39 0.11 3.41 -1.26 -3.22 113.62 106.75 2g6i n SER 422 Ca 0.28 0.58 0.08 0.00 -0.26 0.00 0.00 58.87 59.56 2g6i n SER 422 Cb 0.83 -0.67 0.31 0.00 -0.26 0.00 0.00 64.21 64.42 2g6i n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2g6i n LYS 423 N -1.92 3.23 -1.79 4.33 5.02 -0.30 -4.97 118.16 121.76 2g6i n LYS 423 Ca 0.04 -2.45 -0.42 0.00 -2.02 0.00 0.00 58.31 53.46 2g6i n LYS 423 Cb 0.26 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.47 2g6i n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2g6i s LEU 424 N -1.55 4.37 -0.24 -0.35 2.96 -1.20 -4.79 118.68 117.87 2g6i s LEU 424 Ca 0.44 2.79 -0.18 0.00 -0.22 0.00 0.00 54.13 56.96 2g6i s LEU 424 Cb 0.28 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 2g6i s LEU 424 CO 0.23 -0.93 0.53 -1.58 -1.32 0.00 0.00 176.35 173.28 2g6i s GLN 425 N 1.14 4.10 -0.23 1.98 2.00 -0.93 -5.00 119.66 122.74 2g6i s GLN 425 Ca 0.73 0.37 -0.07 0.00 -2.00 0.00 0.00 55.36 54.39 2g6i s GLN 425 Cb -0.48 -3.63 -0.03 0.00 0.80 0.00 0.00 33.01 29.67 2g6i s GLN 425 CO 0.32 -0.30 0.06 0.08 -0.50 0.00 0.00 175.29 174.95 2g6i s VAL 426 N 2.15 4.37 -0.28 1.34 1.01 -1.26 -1.17 120.40 126.56 2g6i s VAL 426 Ca 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2g6i s VAL 426 Cb -0.16 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2g6i s VAL 426 CO 0.09 0.37 0.12 -0.36 0.00 0.00 0.00 175.10 175.33 2g6i s PHE 427 N 1.27 3.14 -0.59 5.22 0.08 0.87 -4.98 117.98 123.00 2g6i s PHE 427 Ca 0.05 -0.40 -0.24 0.00 0.12 0.00 0.00 56.93 56.45 2g6i s PHE 427 Cb -0.15 -2.31 0.04 0.00 -0.57 0.00 0.00 43.02 40.04 2g6i s PHE 427 CO 0.03 -0.37 0.99 0.34 -0.10 0.00 0.00 175.22 176.11 2g6i s ASP 428 N 1.64 6.31 -0.34 1.36 3.68 -1.26 -0.92 116.67 127.13 2g6i s ASP 428 Ca 0.06 -0.44 0.07 0.00 2.13 0.00 0.00 52.55 54.37 2g6i s ASP 428 Cb -0.16 -2.45 0.53 0.00 -1.45 0.00 0.00 42.92 39.38 2g6i s ASP 428 CO 0.06 -1.33 1.55 0.00 0.13 0.00 0.00 175.17 175.58 2g6i n ALA 429 N 7.72 4.70 0.49 3.66 0.00 0.21 -4.66 120.51 132.63 2g6i n ALA 429 Ca 0.01 -3.19 0.07 0.00 0.00 0.00 0.00 53.44 50.33 2g6i n ALA 429 Cb 0.47 -0.88 0.30 0.00 0.00 0.00 0.00 19.45 19.35 2g6i n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2g6i n ARG 430 N -1.09 0.01 -0.05 0.00 1.74 -1.08 -1.96 116.66 114.22 2g6i n ARG 430 Ca 0.40 0.25 0.12 0.00 -0.77 0.00 0.00 57.85 57.85 2g6i n ARG 430 Cb 1.11 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 31.44 2g6i n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2g6i n ASP 431 N -1.49 1.87 -4.76 0.55 5.75 -1.26 -4.44 116.55 112.77 2g6i n ASP 431 Ca 0.04 -1.68 -0.41 0.00 -0.01 0.00 0.00 54.79 52.73 2g6i n ASP 431 Cb 0.16 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.14 2g6i n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2g6i n THR 433 N 1.21 0.00 -4.30 0.00 -2.24 -1.26 -4.75 114.28 102.94 2g6i n THR 433 Ca -0.00 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 2g6i n THR 433 Cb 0.44 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.16 2g6i n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2g6i s THR 434 N -1.04 0.77 0.27 4.28 -4.23 -1.26 -4.58 115.64 109.85 2g6i s THR 434 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 2g6i s THR 434 Cb 0.00 -2.38 0.10 0.00 1.34 0.00 0.00 72.50 71.56 2g6i s THR 434 CO 0.00 -0.26 1.75 0.00 -0.54 0.00 0.00 174.62 175.57 2g6i h ALA 435 N 2.50 1.11 -0.68 3.99 0.00 -1.89 -0.53 119.26 123.76 2g6i h ALA 435 Ca -0.38 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 2g6i h ALA 435 Cb 1.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2g6i h ALA 435 CO 0.63 0.56 0.18 0.45 0.00 0.00 0.00 179.25 181.07 2g6i h HIS 436 N 0.67 1.11 -0.72 0.00 3.86 -1.96 -0.08 115.15 118.02 2g6i h HIS 436 Ca 0.12 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 2g6i h HIS 436 Cb 0.50 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 2g6i h HIS 436 CO 0.02 0.90 0.35 0.78 0.86 0.00 0.00 177.93 180.84 2g6i h GLY 437 N 1.07 1.11 1.01 2.45 0.00 -1.78 -2.06 103.07 104.87 2g6i h GLY 437 Ca 0.22 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 2g6i h GLY 437 CO -0.00 0.52 0.40 -0.33 0.00 0.00 0.00 176.54 177.13 2g6i h MET 438 N 1.01 1.00 -0.39 4.80 0.00 -0.36 -1.97 114.93 119.02 2g6i h MET 438 Ca 0.25 -0.11 0.05 0.00 0.00 0.00 0.00 59.70 59.88 2g6i h MET 438 Cb 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 31.60 31.47 2g6i h MET 438 CO -0.03 0.74 0.13 0.35 0.00 0.00 0.00 176.91 178.10 2g6i h PHE 439 N 0.99 0.23 -0.32 -0.22 -0.00 -0.57 0.47 116.94 117.52 2g6i h PHE 439 Ca 0.25 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.25 2g6i h PHE 439 Cb 0.02 -0.05 -0.02 0.00 -0.00 0.00 0.00 35.95 35.91 2g6i h PHE 439 CO -0.00 0.09 0.21 -0.97 -0.00 0.00 0.00 178.31 177.64 2g6i h ASN 440 N 0.29 0.38 -0.91 0.41 -1.24 -1.04 0.15 115.58 113.61 2g6i h ASN 440 Ca 0.18 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 2g6i h ASN 440 Cb 0.17 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.08 2g6i h ASN 440 CO -0.19 0.28 0.55 1.88 -1.29 0.00 0.00 177.43 178.66 2g6i h TYR 441 N 0.43 1.20 -0.34 0.67 -1.99 -0.93 -1.59 116.97 114.42 2g6i h TYR 441 Ca 0.12 -0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.73 2g6i h TYR 441 Cb -0.04 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 38.29 2g6i h TYR 441 CO -0.05 0.80 -0.24 0.82 -0.00 0.00 0.00 178.16 179.49 2g6i h ILE 442 N 1.25 1.27 -0.49 -2.88 2.04 -0.32 -0.96 117.51 117.42 2g6i h ILE 442 Ca 0.33 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 2g6i h ILE 442 Cb -0.05 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2g6i h ILE 442 CO -0.06 0.44 0.15 0.00 0.00 0.00 0.00 178.15 178.68 2g6i h ASN 444 N 0.67 0.86 -0.01 0.00 2.35 -1.06 -1.54 115.58 116.85 2g6i h ASN 444 Ca 0.16 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2g6i h ASN 444 Cb 0.28 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2g6i h ASN 444 CO -0.00 0.85 0.00 -0.74 -1.65 0.00 0.00 177.43 175.89 2g6i h HIS 445 N 0.87 0.01 -0.64 1.19 2.76 -0.86 -0.42 115.15 118.07 2g6i h HIS 445 Ca 0.19 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2g6i h HIS 445 Cb 0.34 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.25 2g6i h HIS 445 CO 0.02 0.18 0.40 0.28 -1.30 0.00 0.00 177.93 177.51 2g6i h VAL 446 N -0.15 1.10 -0.36 5.26 2.07 -1.02 0.14 116.25 123.29 2g6i h VAL 446 Ca 0.00 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 2g6i h VAL 446 Cb 0.17 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2g6i h VAL 446 CO -0.00 0.15 -0.06 0.50 0.02 0.00 0.00 177.57 178.17 2g6i h LYS 447 N 0.80 0.68 -0.02 1.57 3.64 -1.21 -0.35 116.57 121.68 2g6i h LYS 447 Ca 0.25 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2g6i h LYS 447 Cb -0.01 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2g6i h LYS 447 CO -0.09 0.82 0.01 -0.92 -2.27 0.00 0.00 179.45 177.00 2g6i h TYR 448 N 0.47 0.03 -0.47 1.91 3.20 -0.75 -2.30 116.97 119.06 2g6i h TYR 448 Ca 0.09 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 2g6i h TYR 448 Cb 0.56 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2g6i h TYR 448 CO 0.05 0.16 -0.08 0.00 -1.64 0.00 0.00 178.16 176.65 2g6i h ALA 449 N 0.87 0.99 -0.23 1.82 0.00 -0.70 -3.13 119.26 118.87 2g6i h ALA 449 Ca 0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2g6i h ALA 449 Cb 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2g6i h ALA 449 CO -0.00 0.61 -0.05 1.15 0.00 0.00 0.00 179.25 180.96 2g6i h THR 450 N 0.75 1.28 -6.68 0.00 2.02 -1.04 0.10 112.91 109.36 2g6i h THR 450 Ca 0.13 -1.04 -0.54 0.00 0.77 0.00 0.00 66.41 65.74 2g6i h THR 450 Cb 0.56 1.50 -0.13 0.00 -1.74 0.00 0.00 68.15 68.34 2g6i h THR 450 CO 0.03 0.32 -0.89 -3.20 0.37 0.00 0.00 175.52 172.16 2g6i n ASN 451 N -4.59 -0.98 -2.05 4.18 5.15 -0.87 -0.34 115.26 115.76 2g6i n ASN 451 Ca -0.04 -1.06 -0.15 0.00 -0.60 0.00 0.00 54.58 52.73 2g6i n ASN 451 Cb 0.29 -2.71 -0.03 0.00 -0.53 0.00 0.00 39.78 36.80 2g6i n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2g6i n LYS 452 N -4.42 -1.77 0.00 1.20 5.02 -1.26 -1.59 118.16 115.33 2g6i n LYS 452 Ca -0.20 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2g6i n LYS 452 Cb 0.63 -5.29 0.00 0.00 -0.02 0.00 0.00 35.03 30.35 2g6i n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2g6i n GLY 453 N -0.65 2.14 3.15 0.72 0.00 0.53 -4.95 105.19 106.13 2g6i n GLY 453 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 2g6i n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2g6i n ASN 454 N 0.00 5.79 -4.66 1.61 4.05 -0.62 -1.03 115.26 120.40 2g6i n ASN 454 Ca 0.00 -3.20 -0.43 0.00 0.45 0.00 0.00 54.58 51.40 2g6i n ASN 454 Cb 0.00 -1.37 -0.01 0.00 1.23 0.00 0.00 39.78 39.62 2g6i n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2g6i n LEU 455 N 2.66 2.91 -4.10 1.20 4.32 -1.23 -4.49 117.00 118.28 2g6i n LEU 455 Ca 0.29 1.19 -0.26 0.00 -0.02 0.00 0.00 56.01 57.21 2g6i n LEU 455 Cb 0.37 -1.41 -0.16 0.00 -1.62 0.00 0.00 43.42 40.59 2g6i n LEU 455 CO 0.65 -0.80 -0.50 -0.13 -1.22 0.00 0.00 177.39 175.39 2g6i s ARG 456 N -1.66 1.99 0.28 3.23 0.52 0.35 -5.00 118.95 118.67 2g6i s ARG 456 Ca 0.57 -0.56 -0.29 0.00 -0.52 0.00 0.00 55.73 54.93 2g6i s ARG 456 Cb -0.62 -1.62 -0.10 0.00 0.52 0.00 0.00 34.95 33.13 2g6i s ARG 456 CO 0.61 0.12 1.31 -1.54 0.02 0.00 0.00 175.30 175.82 2g6i s SER 457 N 0.41 6.83 0.23 0.23 1.04 -1.26 -4.43 113.70 116.74 2g6i s SER 457 Ca -0.12 2.58 -0.15 0.00 0.48 0.00 0.00 55.95 58.73 2g6i s SER 457 Cb -0.15 -2.63 0.01 0.00 0.10 0.00 0.00 66.02 63.35 2g6i s SER 457 CO 0.04 -0.52 0.52 0.00 0.98 0.00 0.00 173.24 174.26 2g6i s ALA 458 N -0.65 -0.62 -0.17 5.32 0.00 -0.57 -2.18 121.76 122.89 2g6i s ALA 458 Ca 0.52 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.77 2g6i s ALA 458 Cb -0.39 0.94 0.04 0.00 0.00 0.00 0.00 23.12 23.72 2g6i s ALA 458 CO 0.47 -0.85 0.44 -1.50 0.00 0.00 0.00 175.76 174.32 2g6i s ILE 459 N -3.95 -0.00 -0.14 0.00 2.07 -0.32 -0.53 121.20 118.34 2g6i s ILE 459 Ca 0.16 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 2g6i s ILE 459 Cb -0.01 -0.62 -0.01 0.00 0.13 0.00 0.00 42.46 41.95 2g6i s ILE 459 CO 0.04 0.00 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.03 2g6i s THR 460 N 0.27 2.82 -0.28 4.00 2.01 -0.40 -0.09 115.64 123.97 2g6i s THR 460 Ca -0.00 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 2g6i s THR 460 Cb -0.03 -2.18 0.04 0.00 0.01 0.00 0.00 72.50 70.33 2g6i s THR 460 CO 0.00 0.52 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.80 2g6i s ILE 461 N 0.59 2.99 0.68 1.82 1.01 -0.10 -3.19 121.20 125.00 2g6i s ILE 461 Ca -0.09 -1.25 -0.07 0.00 0.00 0.00 0.00 60.65 59.24 2g6i s ILE 461 Cb -0.16 -2.65 0.04 0.00 0.01 0.00 0.00 42.46 39.70 2g6i s ILE 461 CO 0.03 -0.01 1.00 -0.36 0.00 0.00 0.00 174.94 175.60 2g6i s PHE 462 N 1.28 3.06 0.21 3.97 0.08 -0.90 -0.62 117.98 125.06 2g6i s PHE 462 Ca -0.03 0.58 -0.30 0.00 0.12 0.00 0.00 56.93 57.30 2g6i s PHE 462 Cb -0.19 -3.07 -0.16 0.00 -0.57 0.00 0.00 43.02 39.04 2g6i s PHE 462 CO -0.02 -1.24 0.89 -2.30 -0.10 0.00 0.00 175.22 172.45 2g6i n PRO 463 N -2.86 0.76 -1.23 0.24 -0.02 -1.25 -4.73 135.00 125.91 2g6i n PRO 463 Ca 0.07 0.27 -0.30 0.00 -2.02 0.00 0.00 63.50 61.51 2g6i n PRO 463 Cb 0.59 -1.56 0.12 0.00 -0.02 0.00 0.00 33.50 32.64 2g6i n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2g6i s GLN 464 N -0.97 1.62 0.49 -0.52 -2.07 -1.26 -4.57 119.66 112.39 2g6i s GLN 464 Ca 0.66 0.94 -0.21 0.00 -1.82 0.00 0.00 55.36 54.93 2g6i s GLN 464 Cb -0.85 -1.84 -0.07 0.00 -1.09 0.00 0.00 33.01 29.16 2g6i s GLN 464 CO 0.57 -2.02 1.15 1.03 -1.32 0.00 0.00 175.29 174.69 2g6i s ARG 465 N -4.93 3.60 0.00 9.60 0.52 0.41 -4.91 118.95 123.25 2g6i s ARG 465 Ca 0.63 1.70 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 2g6i s ARG 465 Cb -0.18 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.06 2g6i s ARG 465 CO 0.57 -0.67 0.00 0.25 0.02 0.00 0.00 175.30 175.47 2g6i n THR 466 N -0.83 0.00 0.59 0.02 -2.24 -1.26 -4.74 114.28 105.82 2g6i n THR 466 Ca 0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 2g6i n THR 466 Cb 0.49 -0.41 0.16 0.00 -2.10 0.00 0.00 70.33 68.47 2g6i n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2g6i n ASP 467 N -0.90 3.24 0.00 3.42 3.85 -1.26 -4.91 116.55 120.00 2g6i n ASP 467 Ca 0.00 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 2g6i n ASP 467 Cb 0.00 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 2g6i n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2g6i n GLY 468 N 1.41 1.38 0.16 6.12 0.00 -1.26 -4.82 105.19 108.18 2g6i n GLY 468 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 2g6i n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g6i n LYS 469 N -2.00 2.10 -1.63 1.61 5.02 -1.26 -4.54 118.16 117.46 2g6i n LYS 469 Ca 0.00 -0.37 -0.10 0.00 -2.02 0.00 0.00 58.31 55.82 2g6i n LYS 469 Cb 0.00 -1.19 0.08 0.00 -0.02 0.00 0.00 35.03 33.90 2g6i n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2g6i n HIS 470 N -0.76 1.54 -2.04 2.13 8.25 -1.26 -4.21 115.22 118.87 2g6i n HIS 470 Ca 0.04 -1.87 -0.37 0.00 -0.26 0.00 0.00 57.72 55.26 2g6i n HIS 470 Cb 0.26 -0.29 0.02 0.00 1.12 0.00 0.00 29.99 31.10 2g6i n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2g6i s ASP 471 N -3.40 5.64 -0.16 0.41 -0.00 -1.26 -3.01 116.67 114.88 2g6i s ASP 471 Ca 0.43 2.49 -0.08 0.00 -0.00 0.00 0.00 52.55 55.39 2g6i s ASP 471 Cb 0.39 -2.61 -0.04 0.00 -0.00 0.00 0.00 42.92 40.65 2g6i s ASP 471 CO -0.02 -1.29 0.12 -0.36 -0.00 0.00 0.00 175.17 173.61 2g6i s PHE 472 N -1.47 3.44 -0.04 4.23 0.40 -1.26 -0.33 117.98 122.94 2g6i s PHE 472 Ca 0.69 0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 57.29 2g6i s PHE 472 Cb -0.33 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.16 2g6i s PHE 472 CO 0.39 0.43 0.20 1.03 0.70 0.00 0.00 175.22 177.97 2g6i s ARG 473 N -0.18 0.40 -0.35 0.44 1.81 -0.23 -3.35 118.95 117.48 2g6i s ARG 473 Ca 0.10 -0.05 -0.09 0.00 -1.72 0.00 0.00 55.73 53.97 2g6i s ARG 473 Cb -0.12 0.18 0.02 0.00 -0.45 0.00 0.00 34.95 34.59 2g6i s ARG 473 CO 0.01 -0.08 0.16 0.08 -0.68 0.00 0.00 175.30 174.79 2g6i s VAL 474 N -0.67 4.33 0.36 3.52 1.01 -1.26 -1.11 120.40 126.58 2g6i s VAL 474 Ca -0.08 -0.86 0.21 0.00 0.00 0.00 0.00 61.98 61.26 2g6i s VAL 474 Cb -0.04 -3.38 0.22 0.00 0.00 0.00 0.00 36.38 33.17 2g6i s VAL 474 CO 0.01 -0.16 1.96 -0.50 0.00 0.00 0.00 175.10 176.41 2g6i h TRP 475 N 8.35 0.00 -4.13 5.22 4.06 -1.42 -3.42 115.95 124.61 2g6i h TRP 475 Ca -0.26 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.17 2g6i h TRP 475 Cb 1.11 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.38 2g6i h TRP 475 CO 0.59 0.21 0.44 -0.80 -3.56 0.00 0.00 178.44 175.32 2g6i s ASN 476 N -6.46 5.05 0.13 -3.49 -0.87 -1.26 -4.93 114.94 103.11 2g6i s ASN 476 Ca -0.02 2.29 0.11 0.00 -1.57 0.00 0.00 52.86 53.67 2g6i s ASN 476 Cb 0.13 -2.59 -0.14 0.00 -0.02 0.00 0.00 41.25 38.64 2g6i s ASN 476 CO 0.64 -1.68 1.17 0.77 -2.57 0.00 0.00 177.10 175.43 2g6i h SER 477 N 0.56 0.00 -4.96 -1.22 4.64 -1.90 -3.35 113.55 107.32 2g6i h SER 477 Ca -0.49 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.65 2g6i h SER 477 Cb 1.28 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.16 2g6i h SER 477 CO 0.54 0.83 -0.70 -1.10 -0.87 0.00 0.00 176.83 175.53 2g6i s GLN 478 N -2.78 0.31 0.34 4.77 -0.21 -1.26 -1.06 119.66 119.78 2g6i s GLN 478 Ca 0.00 -0.61 0.02 0.00 0.02 0.00 0.00 55.36 54.79 2g6i s GLN 478 Cb 0.09 0.10 0.60 0.00 1.00 0.00 0.00 33.01 34.79 2g6i s GLN 478 CO 0.80 -0.05 1.97 -0.07 -2.12 0.00 0.00 175.29 175.83 2g6i h LEU 479 N 4.66 0.72 -8.15 2.90 3.38 -1.41 -3.40 115.31 114.01 2g6i h LEU 479 Ca -0.32 -0.04 -0.61 0.00 0.09 0.00 0.00 57.88 57.00 2g6i h LEU 479 Cb 1.21 -0.18 -0.33 0.00 0.09 0.00 0.00 40.66 41.44 2g6i h LEU 479 CO 0.41 0.57 -0.85 -0.63 0.09 0.00 0.00 178.44 178.03 2g6i s ILE 480 N -5.61 1.66 -0.07 1.22 1.01 -1.26 -4.88 121.20 113.28 2g6i s ILE 480 Ca -0.10 -0.77 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 2g6i s ILE 480 Cb 0.17 -1.47 0.10 0.00 0.01 0.00 0.00 42.46 41.28 2g6i s ILE 480 CO 0.77 0.47 0.88 -0.13 0.00 0.00 0.00 174.94 176.93 2g6i s ARG 481 N 0.59 0.80 0.07 2.79 0.52 -1.26 -4.81 118.95 117.64 2g6i s ARG 481 Ca -0.15 -0.03 -0.14 0.00 -0.52 0.00 0.00 55.73 54.89 2g6i s ARG 481 Cb -0.17 0.37 -0.06 0.00 0.52 0.00 0.00 34.95 35.61 2g6i s ARG 481 CO 0.05 -0.29 0.48 0.71 0.02 0.00 0.00 175.30 176.26 2g6i s TYR 482 N -1.98 3.68 0.81 -0.53 4.12 -1.26 -0.94 117.35 121.24 2g6i s TYR 482 Ca -0.01 1.02 -0.12 0.00 0.02 0.00 0.00 57.07 57.98 2g6i s TYR 482 Cb -0.01 -2.32 0.08 0.00 -1.52 0.00 0.00 41.96 38.20 2g6i s TYR 482 CO -0.01 0.54 1.14 0.00 0.02 0.00 0.00 175.55 177.24 2g6i s ALA 483 N -1.27 1.95 -0.03 3.71 0.00 0.37 -4.44 121.76 122.05 2g6i s ALA 483 Ca 0.31 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.82 2g6i s ALA 483 Cb -0.16 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.59 2g6i s ALA 483 CO 0.17 -2.12 -0.07 0.20 0.00 0.00 0.00 175.76 173.93 2g6i s GLY 484 N -2.78 0.50 -0.11 0.00 0.00 -1.24 -1.66 107.32 102.03 2g6i s GLY 484 Ca 0.66 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.17 2g6i s GLY 484 CO 0.53 0.13 -0.10 -0.19 0.00 0.00 0.00 173.10 173.48 2g6i s TYR 485 N 0.49 1.58 -0.14 1.90 1.51 0.28 -4.16 117.35 118.82 2g6i s TYR 485 Ca -0.07 -0.77 -0.29 0.00 -1.01 0.00 0.00 57.07 54.92 2g6i s TYR 485 Cb -0.11 -1.25 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2g6i s TYR 485 CO 0.01 -0.49 1.15 0.21 -1.11 0.00 0.00 175.55 175.32 2g6i s LYS 486 N 1.46 4.30 0.37 -0.62 2.47 -1.26 -1.10 119.74 125.36 2g6i s LYS 486 Ca 0.01 1.55 -0.08 0.00 -1.56 0.00 0.00 55.97 55.89 2g6i s LYS 486 Cb -0.13 -3.64 -0.06 0.00 -1.46 0.00 0.00 37.83 32.54 2g6i s LYS 486 CO -0.06 -0.55 0.69 -0.65 0.16 0.00 0.00 175.35 174.94 2g6i s GLN 487 N 2.83 3.72 0.59 4.03 -1.52 0.56 -4.98 119.66 124.88 2g6i s GLN 487 Ca 0.52 0.29 0.29 0.00 -1.95 0.00 0.00 55.36 54.50 2g6i s GLN 487 Cb -0.20 -2.48 1.77 0.00 -0.22 0.00 0.00 33.01 31.88 2g6i s GLN 487 CO 0.15 0.04 2.24 -1.00 -0.25 0.00 0.00 175.29 176.48 2g6i h PRO 488 N 1.35 0.00 -0.03 2.91 0.13 -1.96 0.07 132.00 134.48 2g6i h PRO 488 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2g6i h PRO 488 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2g6i h PRO 488 CO 0.64 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 2g6i n ASP 489 N -3.90 0.23 0.00 1.44 3.85 -1.26 -4.88 116.55 112.03 2g6i n ASP 489 Ca -0.03 -1.72 0.00 0.00 -0.71 0.00 0.00 54.79 52.33 2g6i n ASP 489 Cb 0.10 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 2g6i n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2g6i n GLY 490 N 0.71 1.40 3.94 6.12 0.00 0.01 -5.05 105.19 112.33 2g6i n GLY 490 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2g6i n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g6i s SER 491 N -2.96 4.15 -0.05 1.61 1.04 -1.26 -4.79 113.70 111.44 2g6i s SER 491 Ca 0.00 0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.67 2g6i s SER 491 Cb 0.00 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.53 2g6i s SER 491 CO 0.00 -2.04 -0.14 -0.89 0.98 0.00 0.00 173.24 171.15 2g6i s THR 492 N -3.44 1.21 -0.21 2.02 2.01 -1.26 -0.32 115.64 115.65 2g6i s THR 492 Ca 0.66 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 2g6i s THR 492 Cb -0.07 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 2g6i s THR 492 CO 0.47 0.36 0.18 -0.22 -0.69 0.00 0.00 174.62 174.73 2g6i s LEU 493 N 0.32 4.18 0.00 4.42 2.96 -0.26 -4.94 118.68 125.37 2g6i s LEU 493 Ca -0.08 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 2g6i s LEU 493 Cb -0.13 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.40 2g6i s LEU 493 CO 0.03 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.78 2g6i n GLY 494 N 3.80 -0.04 3.53 7.98 0.00 -1.26 -0.55 105.19 118.64 2g6i n GLY 494 Ca -0.15 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2g6i n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2g6i s ASP 495 N -4.00 6.29 0.59 1.61 -1.08 -0.66 -4.76 116.67 114.65 2g6i s ASP 495 Ca 0.00 -0.29 0.30 0.00 -0.52 0.00 0.00 52.55 52.04 2g6i s ASP 495 Cb 0.00 -2.27 1.82 0.00 -1.46 0.00 0.00 42.92 41.00 2g6i s ASP 495 CO 0.00 -0.60 2.25 -0.65 0.52 0.00 0.00 175.17 176.69 2g6i h PRO 496 N 8.66 0.00 0.00 4.34 0.11 -1.81 -2.36 132.00 140.94 2g6i h PRO 496 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 2g6i h PRO 496 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2g6i h PRO 496 CO 0.82 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.54 2g6i h ALA 497 N 2.00 1.09 -0.35 -0.75 0.00 -1.93 -3.09 119.26 116.23 2g6i h ALA 497 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2g6i h ALA 497 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2g6i h ALA 497 CO -0.00 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.43 2g6i n ASN 498 N -3.31 3.83 -0.01 0.00 3.02 -0.89 -4.70 115.26 113.20 2g6i n ASN 498 Ca -0.01 -2.64 -0.10 0.00 -0.03 0.00 0.00 54.58 51.80 2g6i n ASN 498 Cb 0.26 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 2g6i n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2g6i h VAL 499 N 2.30 0.88 -0.65 2.41 2.07 -1.63 -0.52 116.25 121.10 2g6i h VAL 499 Ca 0.00 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2g6i h VAL 499 Cb 1.27 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2g6i h VAL 499 CO 0.18 0.00 0.34 -0.61 0.02 0.00 0.00 177.57 177.50 2g6i h GLN 500 N 0.01 0.92 -0.50 1.57 4.15 -1.86 -1.39 115.11 118.02 2g6i h GLN 500 Ca 0.06 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 2g6i h GLN 500 Cb 0.09 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 2g6i h GLN 500 CO -0.13 0.71 -0.06 0.35 -1.93 0.00 0.00 178.83 177.77 2g6i h PHE 501 N 0.89 0.95 -0.60 3.99 3.57 -1.86 -2.18 116.94 121.70 2g6i h PHE 501 Ca 0.23 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2g6i h PHE 501 Cb 0.07 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 2g6i h PHE 501 CO -0.00 0.89 0.39 1.15 -2.23 0.00 0.00 178.31 178.51 2g6i h THR 502 N 0.80 1.16 -0.86 4.41 2.02 -0.71 -0.75 112.91 118.98 2g6i h THR 502 Ca 0.14 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 67.01 2g6i h THR 502 Cb 0.56 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 2g6i h THR 502 CO 0.03 0.16 0.56 -0.33 0.37 0.00 0.00 175.52 176.31 2g6i h GLU 503 N 0.82 1.14 -0.53 6.66 5.08 -0.92 -0.74 114.58 126.09 2g6i h GLU 503 Ca 0.22 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2g6i h GLU 503 Cb -0.07 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.90 2g6i h GLU 503 CO -0.05 0.76 0.22 0.82 -1.00 0.00 0.00 179.01 179.77 2g6i h ILE 504 N 1.16 1.21 -0.33 3.13 2.04 -0.85 -0.62 117.51 123.26 2g6i h ILE 504 Ca 0.31 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.54 2g6i h ILE 504 Cb -0.11 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2g6i h ILE 504 CO -0.07 0.25 0.19 0.00 0.00 0.00 0.00 178.15 178.52 2g6i h ILE 506 N 0.39 1.14 -0.72 0.00 2.04 -0.93 -0.66 117.51 118.76 2g6i h ILE 506 Ca 0.13 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2g6i h ILE 506 Cb 0.01 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 2g6i h ILE 506 CO -0.07 0.13 0.46 -0.61 0.00 0.00 0.00 178.15 178.07 2g6i h GLN 507 N 0.65 0.96 0.00 2.37 4.15 -0.65 -0.60 115.11 121.99 2g6i h GLN 507 Ca 0.18 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.53 2g6i h GLN 507 Cb -0.05 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.43 2g6i h GLN 507 CO -0.04 0.66 0.00 1.04 -1.93 0.00 0.00 178.83 178.56 2g6i n GLN 508 N -4.41 0.21 0.00 1.69 1.13 0.10 -4.87 117.38 111.24 2g6i n GLN 508 Ca 0.08 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 2g6i n GLN 508 Cb 0.05 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.90 2g6i n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2g6i n GLY 509 N 0.61 1.20 3.72 1.08 0.00 -0.23 -4.94 105.19 106.62 2g6i n GLY 509 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2g6i n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2g6i s TRP 510 N -1.66 3.04 -0.60 1.61 -0.00 -0.32 -4.94 118.94 116.06 2g6i s TRP 510 Ca 0.00 0.59 -0.21 0.00 -0.00 0.00 0.00 56.10 56.48 2g6i s TRP 510 Cb 0.00 -3.96 0.08 0.00 -0.00 0.00 0.00 33.47 29.59 2g6i s TRP 510 CO 0.00 -3.55 0.81 0.15 -0.00 0.00 0.00 176.95 174.36 2g6i s LYS 511 N 1.10 3.10 -0.12 5.86 -0.14 -1.26 -4.39 119.74 123.89 2g6i s LYS 511 Ca 0.71 -1.02 -0.29 0.00 -1.36 0.00 0.00 55.97 54.00 2g6i s LYS 511 Cb -0.45 -4.22 -0.03 0.00 -1.68 0.00 0.00 37.83 31.46 2g6i s LYS 511 CO 0.32 -1.60 1.33 0.00 -0.76 0.00 0.00 175.35 174.63 2g6i s ALA 512 N 3.28 3.63 -0.55 5.17 0.00 -1.26 -4.91 121.76 127.13 2g6i s ALA 512 Ca 0.17 0.59 0.21 0.00 0.00 0.00 0.00 51.96 52.93 2g6i s ALA 512 Cb -0.20 -3.63 0.91 0.00 0.00 0.00 0.00 23.12 20.20 2g6i s ALA 512 CO 0.09 -1.14 1.63 -0.35 0.00 0.00 0.00 175.76 175.99 2g6i n PRO 513 N 6.41 0.15 -3.72 0.00 -0.04 -1.26 -4.90 135.00 131.64 2g6i n PRO 513 Ca 0.14 0.43 -0.27 0.00 -0.04 0.00 0.00 63.50 63.77 2g6i n PRO 513 Cb 0.45 -1.81 0.03 0.00 -0.04 0.00 0.00 33.50 32.13 2g6i n PRO 513 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2g6i n ARG 514 N -2.09 -2.63 -2.57 0.54 1.74 -1.26 -5.02 116.66 105.37 2g6i n ARG 514 Ca 0.02 0.51 -0.11 0.00 -0.77 0.00 0.00 57.85 57.50 2g6i n ARG 514 Cb 0.18 -4.58 -0.00 0.00 -1.02 0.00 0.00 32.46 27.03 2g6i n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g6i n GLY 515 N -1.69 3.09 0.15 -0.13 0.00 -1.26 -5.05 105.19 100.30 2g6i n GLY 515 Ca -0.19 -2.23 0.07 0.00 0.00 0.00 0.00 46.02 43.67 2g6i n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2g6i h ARG 516 N 0.00 0.00 -2.02 1.61 2.43 -1.94 -3.39 114.38 111.07 2g6i h ARG 516 Ca -0.15 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.49 2g6i h ARG 516 Cb 0.53 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.68 2g6i h ARG 516 CO 0.24 0.20 -1.11 1.19 -1.51 0.00 0.00 179.97 178.98 2g6i n PHE 517 N -3.00 0.27 -3.24 2.20 3.01 -1.26 -4.17 117.46 111.27 2g6i n PHE 517 Ca -0.00 -3.73 -0.39 0.00 1.01 0.00 0.00 57.45 54.34 2g6i n PHE 517 Cb 0.65 -0.40 -0.06 0.00 -0.01 0.00 0.00 39.48 39.66 2g6i n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2g6i s ASP 518 N -1.93 6.60 0.05 4.37 1.01 -1.26 -4.94 116.67 120.56 2g6i s ASP 518 Ca 0.38 0.72 -0.31 0.00 0.71 0.00 0.00 52.55 54.06 2g6i s ASP 518 Cb 0.26 -2.30 -0.06 0.00 1.01 0.00 0.00 42.92 41.83 2g6i s ASP 518 CO -0.09 -0.16 1.32 -0.69 0.21 0.00 0.00 175.17 175.76 2g6i s VAL 519 N 1.47 3.72 0.68 -1.27 1.01 -1.26 -0.48 120.40 124.27 2g6i s VAL 519 Ca 0.25 1.19 -0.14 0.00 0.00 0.00 0.00 61.98 63.28 2g6i s VAL 519 Cb -0.15 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2g6i s VAL 519 CO 0.10 0.06 1.10 -0.76 0.00 0.00 0.00 175.10 175.59 2g6i s LEU 520 N 1.58 3.29 0.52 3.92 1.43 -0.12 -4.86 118.68 124.46 2g6i s LEU 520 Ca 0.62 1.92 -0.07 0.00 -1.03 0.00 0.00 54.13 55.57 2g6i s LEU 520 Cb -0.32 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.32 2g6i s LEU 520 CO 0.28 -1.69 0.86 -2.16 0.23 0.00 0.00 176.35 173.87 2g6i s PRO 521 N -4.34 3.54 0.21 1.29 0.04 -1.26 -4.74 135.00 129.74 2g6i s PRO 521 Ca 0.65 0.35 -0.26 0.00 0.04 0.00 0.00 61.00 61.78 2g6i s PRO 521 Cb -0.19 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.98 2g6i s PRO 521 CO 0.45 -0.33 0.83 -0.51 0.04 0.00 0.00 177.00 177.49 2g6i s LEU 522 N -4.88 4.53 -0.30 -3.56 1.43 0.17 -4.88 118.68 111.19 2g6i s LEU 522 Ca 0.50 1.71 0.03 0.00 -1.03 0.00 0.00 54.13 55.34 2g6i s LEU 522 Cb -0.10 -3.51 0.08 0.00 0.03 0.00 0.00 46.19 42.69 2g6i s LEU 522 CO 0.48 0.13 0.00 -0.22 0.23 0.00 0.00 176.35 176.97 2g6i s LEU 523 N -1.40 3.91 -0.11 1.79 2.96 -1.26 -1.14 118.68 123.43 2g6i s LEU 523 Ca 0.40 -1.79 0.00 0.00 -0.22 0.00 0.00 54.13 52.52 2g6i s LEU 523 Cb -0.22 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 2g6i s LEU 523 CO 0.26 -0.32 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.09 2g6i s LEU 524 N 1.08 2.78 -0.19 -0.68 1.43 0.10 -1.06 118.68 122.14 2g6i s LEU 524 Ca 0.04 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2g6i s LEU 524 Cb -0.19 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2g6i s LEU 524 CO -0.09 0.21 -0.07 -1.58 0.23 0.00 0.00 176.35 175.06 2g6i s GLN 525 N 0.06 3.40 -0.09 1.70 0.74 -0.26 -0.76 119.66 124.46 2g6i s GLN 525 Ca -0.05 -0.63 0.04 0.00 0.05 0.00 0.00 55.36 54.77 2g6i s GLN 525 Cb -0.14 -2.89 -0.01 0.00 1.10 0.00 0.00 33.01 31.07 2g6i s GLN 525 CO 0.04 -0.05 -0.22 0.00 -0.55 0.00 0.00 175.29 174.51 2g6i s ALA 526 N 1.07 2.27 -1.53 1.58 0.00 -1.26 -1.07 121.76 122.82 2g6i s ALA 526 Ca 0.01 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 2g6i s ALA 526 Cb -0.15 -0.84 0.09 0.00 0.00 0.00 0.00 23.12 22.23 2g6i s ALA 526 CO -0.01 0.34 0.92 -1.71 0.00 0.00 0.00 175.76 175.31 2g6i n ASN 527 N 3.26 -4.71 0.00 0.00 4.05 -1.17 -1.64 115.26 115.04 2g6i n ASN 527 Ca -0.18 -0.75 0.00 0.00 0.45 0.00 0.00 54.58 54.10 2g6i n ASN 527 Cb 0.53 -3.77 0.00 0.00 1.23 0.00 0.00 39.78 37.77 2g6i n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2g6i n GLY 528 N -1.63 0.74 3.89 8.20 0.00 0.55 -4.52 105.19 112.43 2g6i n GLY 528 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2g6i n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2g6i s ASN 529 N -2.66 5.36 0.48 1.61 0.01 -0.65 -4.88 114.94 114.21 2g6i s ASN 529 Ca 0.00 1.00 -0.24 0.00 -0.71 0.00 0.00 52.86 52.91 2g6i s ASN 529 Cb 0.00 -1.80 -0.07 0.00 0.41 0.00 0.00 41.25 39.79 2g6i s ASN 529 CO 0.00 -1.36 1.42 -1.81 -1.51 0.00 0.00 177.10 173.85 2g6i s ASP 530 N -4.38 5.68 0.61 -1.22 1.01 -1.26 -4.33 116.67 112.78 2g6i s ASP 530 Ca 0.58 2.91 -0.17 0.00 0.71 0.00 0.00 52.55 56.58 2g6i s ASP 530 Cb -0.11 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.15 2g6i s ASP 530 CO 0.50 -1.31 1.13 -2.16 0.21 0.00 0.00 175.17 173.54 2g6i s PRO 531 N -2.58 3.00 0.09 8.23 0.04 -1.26 -4.73 135.00 137.79 2g6i s PRO 531 Ca 0.64 1.52 0.08 0.00 0.04 0.00 0.00 61.00 63.28 2g6i s PRO 531 Cb -0.43 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 2g6i s PRO 531 CO 0.55 -1.11 -0.22 -1.21 0.04 0.00 0.00 177.00 175.05 2g6i s GLU 532 N -3.72 1.24 0.08 4.56 2.02 0.06 -4.86 118.70 118.09 2g6i s GLU 532 Ca 0.70 -1.13 -0.17 0.00 0.02 0.00 0.00 54.97 54.39 2g6i s GLU 532 Cb -0.23 -1.50 -0.07 0.00 0.10 0.00 0.00 34.13 32.44 2g6i s GLU 532 CO 0.35 0.36 0.54 -0.51 0.02 0.00 0.00 175.26 176.02 2g6i s LEU 533 N -1.74 4.47 -0.06 1.80 1.43 -1.26 -0.73 118.68 122.59 2g6i s LEU 533 Ca 0.08 1.16 -0.08 0.00 -1.03 0.00 0.00 54.13 54.25 2g6i s LEU 533 Cb -0.10 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 43.20 2g6i s LEU 533 CO 0.04 0.24 0.22 -0.36 0.23 0.00 0.00 176.35 176.71 2g6i s PHE 534 N -1.20 -0.19 -0.17 0.29 0.40 -0.29 -4.97 117.98 111.84 2g6i s PHE 534 Ca 0.30 0.45 -0.11 0.00 -0.60 0.00 0.00 56.93 56.97 2g6i s PHE 534 Cb -0.18 0.06 -0.05 0.00 0.51 0.00 0.00 43.02 43.37 2g6i s PHE 534 CO 0.18 -0.17 0.19 -1.14 0.70 0.00 0.00 175.22 174.97 2g6i s GLN 535 N -0.27 4.11 0.12 0.44 0.74 -1.26 0.41 119.66 123.94 2g6i s GLN 535 Ca -0.04 -0.10 -0.30 0.00 0.05 0.00 0.00 55.36 54.97 2g6i s GLN 535 Cb -0.03 -3.39 -0.06 0.00 1.10 0.00 0.00 33.01 30.63 2g6i s GLN 535 CO 0.01 0.35 1.14 0.42 -0.55 0.00 0.00 175.29 176.67 2g6i s ILE 536 N 0.17 3.98 -0.15 -2.34 1.01 -1.26 -4.91 121.20 117.70 2g6i s ILE 536 Ca 0.12 1.55 -0.36 0.00 0.00 0.00 0.00 60.65 61.96 2g6i s ILE 536 Cb -0.12 -3.99 -0.13 0.00 0.01 0.00 0.00 42.46 38.23 2g6i s ILE 536 CO 0.01 0.19 1.86 -2.65 0.00 0.00 0.00 174.94 174.35 2g6i n PRO 537 N 3.15 1.87 -0.35 2.79 -0.02 -1.26 -4.81 135.00 136.38 2g6i n PRO 537 Ca 0.06 0.68 0.22 0.00 -2.02 0.00 0.00 63.50 62.44 2g6i n PRO 537 Cb 0.46 -2.50 0.46 0.00 -0.02 0.00 0.00 33.50 31.91 2g6i n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2g6i h PRO 538 N 8.83 0.40 0.00 0.52 0.11 -1.95 0.59 132.00 140.49 2g6i h PRO 538 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2g6i h PRO 538 Cb 1.29 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2g6i h PRO 538 CO 0.96 0.26 0.00 -0.85 -0.21 0.00 0.00 178.00 178.16 2g6i n GLU 539 N -4.89 0.10 0.00 1.05 0.00 -1.26 -1.43 120.64 114.21 2g6i n GLU 539 Ca 0.29 0.49 0.11 0.00 0.00 0.00 0.00 57.16 58.06 2g6i n GLU 539 Cb 0.92 -1.77 0.05 0.00 0.00 0.00 0.00 31.44 30.63 2g6i n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2g6i n LEU 540 N -1.98 1.39 -4.40 -1.84 4.32 0.21 -4.82 117.00 109.89 2g6i n LEU 540 Ca 0.01 -0.52 -0.44 0.00 -0.02 0.00 0.00 56.01 55.03 2g6i n LEU 540 Cb 0.10 -0.05 -0.07 0.00 -1.62 0.00 0.00 43.42 41.78 2g6i n LEU 540 CO 0.11 0.28 0.07 -0.69 -1.22 0.00 0.00 177.39 175.94 2g6i s VAL 541 N -2.70 5.19 -0.09 4.08 1.01 -0.52 -4.78 120.40 122.58 2g6i s VAL 541 Ca 0.15 -0.99 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 2g6i s VAL 541 Cb 0.18 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2g6i s VAL 541 CO 0.67 -0.61 0.85 -0.22 0.00 0.00 0.00 175.10 175.79 2g6i s LEU 542 N 1.77 4.27 0.16 3.92 2.96 -1.26 -5.01 118.68 125.48 2g6i s LEU 542 Ca 0.05 1.34 0.08 0.00 -0.22 0.00 0.00 54.13 55.38 2g6i s LEU 542 Cb -0.24 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2g6i s LEU 542 CO 0.07 -0.30 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.03 2g6i s GLU 543 N 1.51 1.21 -0.12 1.98 2.02 -1.26 -1.31 118.70 122.73 2g6i s GLU 543 Ca 0.43 -1.40 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 2g6i s GLU 543 Cb -0.18 -1.15 0.03 0.00 0.10 0.00 0.00 34.13 32.93 2g6i s GLU 543 CO 0.18 0.22 -0.06 0.08 0.02 0.00 0.00 175.26 175.71 2g6i s VAL 544 N -2.29 0.92 0.18 2.63 1.01 0.26 -4.91 120.40 118.20 2g6i s VAL 544 Ca 0.15 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 2g6i s VAL 544 Cb -0.04 -1.01 -0.08 0.00 0.00 0.00 0.00 36.38 35.24 2g6i s VAL 544 CO 0.05 0.28 1.27 -2.84 0.00 0.00 0.00 175.10 173.87 2g6i s PRO 545 N 1.74 4.42 -0.24 2.72 0.02 -1.26 -1.72 135.00 140.68 2g6i s PRO 545 Ca 0.04 1.97 -0.17 0.00 0.02 0.00 0.00 61.00 62.86 2g6i s PRO 545 Cb -0.13 -3.23 -0.03 0.00 0.02 0.00 0.00 34.50 31.13 2g6i s PRO 545 CO -0.08 -0.21 0.46 0.42 -0.33 0.00 0.00 177.00 177.26 2g6i s ILE 546 N 0.22 5.12 0.16 2.83 -1.09 0.11 -4.87 121.20 123.69 2g6i s ILE 546 Ca 0.56 0.79 0.04 0.00 -2.23 0.00 0.00 60.65 59.81 2g6i s ILE 546 Cb -0.35 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 2g6i s ILE 546 CO 0.36 0.15 -0.07 0.00 -1.23 0.00 0.00 174.94 174.15 2g6i s ARG 547 N 1.94 1.09 -0.09 2.79 3.03 -1.26 -4.04 118.95 122.41 2g6i s ARG 547 Ca 0.20 -1.49 -0.02 0.00 2.03 0.00 0.00 55.73 56.45 2g6i s ARG 547 Cb -0.15 -0.55 -0.03 0.00 -1.03 0.00 0.00 34.95 33.18 2g6i s ARG 547 CO 0.09 0.02 0.00 -1.58 -1.13 0.00 0.00 175.30 172.71 2g6i s HIS 548 N -3.40 3.17 0.47 5.89 2.46 -1.26 -4.32 115.29 118.30 2g6i s HIS 548 Ca 0.19 0.18 0.33 0.00 0.47 0.00 0.00 55.06 56.23 2g6i s HIS 548 Cb 0.04 -1.81 1.76 0.00 -0.13 0.00 0.00 32.58 32.44 2g6i s HIS 548 CO 0.02 0.45 2.17 -1.00 -2.47 0.00 0.00 174.74 173.90 2g6i h PRO 549 N 5.26 0.00 0.00 2.88 0.13 -1.92 -3.31 132.00 135.04 2g6i h PRO 549 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2g6i h PRO 549 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2g6i h PRO 549 CO 0.55 0.05 -1.35 1.63 -0.23 0.00 0.00 178.00 178.66 2g6i n LYS 550 N -3.45 1.72 -3.14 0.86 5.02 -1.26 -4.94 118.16 112.96 2g6i n LYS 550 Ca -0.02 0.02 -0.44 0.00 -2.02 0.00 0.00 58.31 55.84 2g6i n LYS 550 Cb 0.18 -1.13 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 2g6i n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2g6i s PHE 551 N -2.12 3.03 -0.83 2.13 0.08 -1.25 -4.91 117.98 114.11 2g6i s PHE 551 Ca -0.05 -0.78 0.15 0.00 0.12 0.00 0.00 56.93 56.36 2g6i s PHE 551 Cb 0.02 -3.78 0.64 0.00 -0.57 0.00 0.00 43.02 39.32 2g6i s PHE 551 CO 0.17 -1.16 1.46 -3.47 -0.10 0.00 0.00 175.22 172.12 2g6i n ASP 552 N 6.21 0.19 0.06 1.36 -0.08 -1.26 -1.83 116.55 121.20 2g6i n ASP 552 Ca -0.08 0.56 0.12 0.00 -1.51 0.00 0.00 54.79 53.88 2g6i n ASP 552 Cb 0.44 -0.59 0.28 0.00 2.34 0.00 0.00 41.12 43.58 2g6i n ASP 552 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 2g6i n TRP 553 N -1.72 0.50 -0.13 -0.67 4.27 -1.26 -4.06 117.44 114.37 2g6i n TRP 553 Ca 0.02 0.15 -0.05 0.00 -3.89 0.00 0.00 57.50 53.73 2g6i n TRP 553 Cb 0.15 -0.64 0.03 0.00 -1.36 0.00 0.00 31.31 29.48 2g6i n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 2g6i h PHE 554 N 0.00 0.29 -0.52 -2.67 3.04 -1.72 -0.40 116.94 114.95 2g6i h PHE 554 Ca 0.00 0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.12 2g6i h PHE 554 Cb 0.68 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 2g6i h PHE 554 CO 0.00 0.12 0.38 1.57 -2.02 0.00 0.00 178.31 178.36 2g6i h LYS 555 N 0.33 0.00 0.00 1.11 2.10 -1.71 0.95 116.57 119.36 2g6i h LYS 555 Ca 0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 2g6i h LYS 555 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 2g6i h LYS 555 CO -0.18 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.02 2g6i n ASP 556 N -4.35 0.00 0.18 7.07 8.00 -0.16 -1.88 116.55 125.40 2g6i n ASP 556 Ca 0.09 -0.11 0.14 0.00 0.71 0.00 0.00 54.79 55.62 2g6i n ASP 556 Cb 0.60 -0.22 0.45 0.00 -0.02 0.00 0.00 41.12 41.93 2g6i n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2g6i h LEU 557 N 0.00 0.00 0.76 0.64 3.38 -0.85 -3.47 115.31 115.77 2g6i h LEU 557 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2g6i h LEU 557 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2g6i h LEU 557 CO 0.00 0.00 -0.16 0.61 0.09 0.00 0.00 178.44 178.98 2g6i n GLY 558 N 0.58 0.37 3.87 0.83 0.00 -0.79 -5.02 105.19 105.02 2g6i n GLY 558 Ca 0.03 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 2g6i n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g6i s LEU 559 N -1.85 4.09 0.17 0.99 1.43 -1.26 -4.99 118.68 117.25 2g6i s LEU 559 Ca 0.00 1.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.90 2g6i s LEU 559 Cb 0.00 -3.83 0.06 0.00 0.03 0.00 0.00 46.19 42.44 2g6i s LEU 559 CO 0.00 -0.16 0.81 -1.59 0.23 0.00 0.00 176.35 175.63 2g6i s LYS 560 N -3.05 1.34 0.19 1.70 -2.85 -1.26 0.07 119.74 115.87 2g6i s LYS 560 Ca 0.50 -0.67 -0.12 0.00 -1.00 0.00 0.00 55.97 54.68 2g6i s LYS 560 Cb -0.11 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 2g6i s LYS 560 CO 0.22 -0.60 0.39 -0.46 0.10 0.00 0.00 175.35 174.99 2g6i s TRP 561 N -3.54 0.23 0.34 1.78 -0.11 -0.70 -4.90 118.94 112.03 2g6i s TRP 561 Ca 0.09 -0.59 -0.11 0.00 1.22 0.00 0.00 56.10 56.71 2g6i s TRP 561 Cb -0.03 0.12 -0.07 0.00 -1.50 0.00 0.00 33.47 31.99 2g6i s TRP 561 CO -0.01 -0.82 0.71 1.52 -4.62 0.00 0.00 176.95 173.72 2g6i s TYR 562 N -3.94 3.43 -0.35 5.86 -0.85 -1.26 -0.57 117.35 119.67 2g6i s TYR 562 Ca 0.15 1.04 0.23 0.00 -0.52 0.00 0.00 57.07 57.97 2g6i s TYR 562 Cb 0.01 -2.41 0.18 0.00 0.38 0.00 0.00 41.96 40.12 2g6i s TYR 562 CO 0.00 0.04 1.32 0.78 -1.52 0.00 0.00 175.55 176.18 2g6i h GLY 563 N 1.81 0.00 -7.48 5.49 0.00 -1.55 -3.46 103.07 97.89 2g6i h GLY 563 Ca -0.47 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.14 2g6i h GLY 563 CO 0.65 0.00 -0.47 -2.27 0.00 0.00 0.00 176.54 174.46 2g6i s LEU 564 N -5.71 5.07 -0.38 3.11 2.96 -1.26 -4.53 118.68 117.93 2g6i s LEU 564 Ca 0.03 -1.34 -0.25 0.00 -0.22 0.00 0.00 54.13 52.35 2g6i s LEU 564 Cb 0.08 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.76 2g6i s LEU 564 CO 0.73 -0.51 0.89 -2.16 -1.32 0.00 0.00 176.35 173.98 2g6i s PRO 565 N 1.49 3.77 -0.50 0.98 0.04 -1.26 -4.70 135.00 134.81 2g6i s PRO 565 Ca 0.03 0.44 0.03 0.00 0.04 0.00 0.00 61.00 61.54 2g6i s PRO 565 Cb -0.22 -3.83 0.16 0.00 0.04 0.00 0.00 34.50 30.65 2g6i s PRO 565 CO 0.04 -0.97 0.34 0.00 0.04 0.00 0.00 177.00 176.45 2g6i s ALA 566 N 3.43 2.30 0.06 8.56 0.00 -1.26 -2.95 121.76 131.90 2g6i s ALA 566 Ca 0.36 -2.85 -0.33 0.00 0.00 0.00 0.00 51.96 49.14 2g6i s ALA 566 Cb -0.12 -1.85 -0.12 0.00 0.00 0.00 0.00 23.12 21.02 2g6i s ALA 566 CO 0.19 -2.05 1.75 0.28 0.00 0.00 0.00 175.76 175.94 2g6i n VAL 567 N 2.92 0.30 -0.35 0.00 0.31 -0.84 -1.04 118.33 119.63 2g6i n VAL 567 Ca 0.19 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 2g6i n VAL 567 Cb 0.39 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 2g6i n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2g6i n SER 568 N 5.11 1.22 -0.48 4.52 3.41 -0.22 -1.56 113.62 125.61 2g6i n SER 568 Ca 0.19 -1.57 0.05 0.00 -0.26 0.00 0.00 58.87 57.29 2g6i n SER 568 Cb 0.31 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.40 2g6i n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2g6i n ASN 569 N -0.28 2.87 -4.99 4.04 6.94 -1.23 -4.41 115.26 118.20 2g6i n ASN 569 Ca 0.00 -2.36 -0.19 0.00 -0.02 0.00 0.00 54.58 52.01 2g6i n ASN 569 Cb 0.31 -0.27 0.02 0.00 -2.36 0.00 0.00 39.78 37.47 2g6i n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2g6i s MET 570 N -1.64 2.79 -0.13 -3.83 -1.94 -1.26 -4.34 119.30 108.94 2g6i s MET 570 Ca 0.23 -0.99 -0.01 0.00 -1.71 0.00 0.00 55.69 53.21 2g6i s MET 570 Cb 0.16 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 34.33 2g6i s MET 570 CO 0.09 -0.38 -0.11 -1.17 -0.01 0.00 0.00 175.02 173.44 2g6i s LEU 571 N -4.49 2.83 -0.31 -0.03 0.20 0.64 -4.31 118.68 113.21 2g6i s LEU 571 Ca 0.54 -0.28 -0.13 0.00 0.69 0.00 0.00 54.13 54.95 2g6i s LEU 571 Cb -0.10 -1.64 -0.03 0.00 -0.43 0.00 0.00 46.19 43.99 2g6i s LEU 571 CO 0.35 0.17 0.28 -0.22 -0.29 0.00 0.00 176.35 176.65 2g6i s LEU 572 N 0.31 4.26 -0.23 -0.68 2.96 -0.62 0.13 118.68 124.81 2g6i s LEU 572 Ca -0.09 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 2g6i s LEU 572 Cb -0.15 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 2g6i s LEU 572 CO 0.05 -0.20 0.07 -0.70 -1.32 0.00 0.00 176.35 174.25 2g6i s GLU 573 N 1.88 3.78 -0.07 1.98 2.12 0.26 -0.68 118.70 127.97 2g6i s GLU 573 Ca 0.10 -0.42 -0.00 0.00 0.36 0.00 0.00 54.97 55.00 2g6i s GLU 573 Cb -0.16 -3.30 0.03 0.00 0.26 0.00 0.00 34.13 30.95 2g6i s GLU 573 CO 0.11 -0.02 -0.02 0.42 -0.54 0.00 0.00 175.26 175.20 2g6i s ILE 574 N 1.18 0.52 -1.17 -3.70 1.01 -0.48 -1.78 121.20 116.77 2g6i s ILE 574 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.68 2g6i s ILE 574 Cb -0.14 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.71 2g6i s ILE 574 CO 0.03 0.26 0.01 0.61 0.00 0.00 0.00 174.94 175.86 2g6i n GLY 575 N 4.77 -0.50 1.55 6.18 0.00 -1.26 -0.02 105.19 115.91 2g6i n GLY 575 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2g6i n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g6i n GLY 576 N -0.84 3.13 3.78 -0.02 0.00 -1.26 -3.42 105.19 106.55 2g6i n GLY 576 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2g6i n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g6i s LEU 577 N 0.00 4.23 -0.25 0.99 1.43 0.96 -4.99 118.68 121.05 2g6i s LEU 577 Ca 0.00 1.99 -0.02 0.00 -1.03 0.00 0.00 54.13 55.07 2g6i s LEU 577 Cb 0.00 -4.10 0.02 0.00 0.03 0.00 0.00 46.19 42.15 2g6i s LEU 577 CO 0.00 -0.34 -0.05 -1.61 0.23 0.00 0.00 176.35 174.58 2g6i s GLU 578 N -2.30 2.86 -0.68 1.70 2.02 -1.26 -1.38 118.70 119.65 2g6i s GLU 578 Ca 0.55 -0.97 -0.13 0.00 0.02 0.00 0.00 54.97 54.44 2g6i s GLU 578 Cb -0.22 -3.03 0.18 0.00 0.10 0.00 0.00 34.13 31.16 2g6i s GLU 578 CO 0.27 -0.41 0.61 -0.06 0.02 0.00 0.00 175.26 175.70 2g6i s PHE 579 N 1.34 3.54 -0.72 1.61 0.40 0.15 -0.44 117.98 123.86 2g6i s PHE 579 Ca 0.00 -1.82 0.20 0.00 -0.60 0.00 0.00 56.93 54.71 2g6i s PHE 579 Cb -0.17 -3.73 0.83 0.00 0.51 0.00 0.00 43.02 40.46 2g6i s PHE 579 CO -0.04 -0.99 1.61 -1.13 0.70 0.00 0.00 175.22 175.38 2g6i n SER 580 N 4.43 0.37 -3.80 1.36 3.41 -1.26 -1.59 113.62 116.54 2g6i n SER 580 Ca 0.02 0.59 -0.30 0.00 -0.26 0.00 0.00 58.87 58.93 2g6i n SER 580 Cb 0.43 -0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 63.56 2g6i n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2g6i s ALA 581 N -3.17 1.64 -0.37 7.33 0.00 -1.21 -4.61 121.76 121.37 2g6i s ALA 581 Ca 0.06 -1.53 0.13 0.00 0.00 0.00 0.00 51.96 50.62 2g6i s ALA 581 Cb 0.10 -1.55 0.39 0.00 0.00 0.00 0.00 23.12 22.06 2g6i s ALA 581 CO 0.35 -1.50 0.94 0.00 0.00 0.00 0.00 175.76 175.55 2g6i n PRO 583 N 0.06 1.35 -4.06 0.00 -0.04 -1.19 -4.64 135.00 126.47 2g6i n PRO 583 Ca 0.13 0.48 -0.12 0.00 -0.04 0.00 0.00 63.50 63.96 2g6i n PRO 583 Cb 0.75 -2.00 -0.11 0.00 -0.04 0.00 0.00 33.50 32.10 2g6i n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2g6i s PHE 584 N -0.23 0.61 0.04 0.54 -0.12 -0.60 -1.28 117.98 116.94 2g6i s PHE 584 Ca 0.71 -0.60 -0.05 0.00 -0.05 0.00 0.00 56.93 56.95 2g6i s PHE 584 Cb -0.80 -0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 41.20 2g6i s PHE 584 CO 0.52 -0.13 0.08 -1.54 -0.05 0.00 0.00 175.22 174.10 2g6i s SER 585 N -1.84 0.21 0.00 1.98 1.04 0.31 -1.98 113.70 113.43 2g6i s SER 585 Ca -0.07 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2g6i s SER 585 Cb -0.07 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2g6i s SER 585 CO -0.01 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.31 2g6i n GLY 586 N 0.75 4.19 3.20 7.32 0.00 -1.15 -1.51 105.19 117.99 2g6i n GLY 586 Ca -0.19 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 2g6i n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2g6i s TRP 587 N 3.41 0.06 0.48 1.61 -2.14 -1.26 -4.54 118.94 116.55 2g6i s TRP 587 Ca 0.00 -0.35 -0.21 0.00 2.66 0.00 0.00 56.10 58.21 2g6i s TRP 587 Cb 0.00 -0.01 -0.08 0.00 -3.10 0.00 0.00 33.47 30.27 2g6i s TRP 587 CO 0.00 -0.49 1.05 0.71 -2.66 0.00 0.00 176.95 175.56 2g6i s TYR 588 N -3.06 3.00 -0.19 1.66 1.51 -1.26 -4.93 117.35 114.08 2g6i s TYR 588 Ca -0.01 1.58 -0.08 0.00 -1.01 0.00 0.00 57.07 57.55 2g6i s TYR 588 Cb 0.01 -3.10 -0.04 0.00 -0.11 0.00 0.00 41.96 38.72 2g6i s TYR 588 CO -0.07 -0.88 0.08 1.41 -1.11 0.00 0.00 175.55 174.99 2g6i s MET 589 N -3.15 4.04 0.31 -0.62 -2.45 -1.26 -1.57 119.30 114.60 2g6i s MET 589 Ca 0.67 -0.31 0.06 0.00 -1.25 0.00 0.00 55.69 54.86 2g6i s MET 589 Cb -0.18 -3.27 0.85 0.00 1.25 0.00 0.00 34.83 33.48 2g6i s MET 589 CO 0.21 0.29 1.63 0.78 1.05 0.00 0.00 175.02 178.98 2g6i h GLY 590 N 6.67 1.55 2.00 2.11 0.00 -1.44 -1.03 103.07 112.93 2g6i h GLY 590 Ca -0.38 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 2g6i h GLY 590 CO 0.72 -0.47 -0.01 -0.91 0.00 0.00 0.00 176.54 175.87 2g6i h THR 591 N 0.16 0.24 -0.71 4.70 1.35 -1.94 0.25 112.91 116.97 2g6i h THR 591 Ca 0.62 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 66.38 2g6i h THR 591 Cb 1.35 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 68.81 2g6i h THR 591 CO -0.72 0.01 0.41 -0.33 -0.25 0.00 0.00 175.52 174.65 2g6i h GLU 592 N 0.00 0.97 0.00 4.72 5.08 -1.60 -0.84 114.58 122.92 2g6i h GLU 592 Ca -0.00 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2g6i h GLU 592 Cb 0.07 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2g6i h GLU 592 CO 0.00 0.70 -0.59 0.82 -1.00 0.00 0.00 179.01 178.94 2g6i h ILE 593 N 0.97 0.78 -0.42 3.13 2.04 -1.56 -1.36 117.51 121.07 2g6i h ILE 593 Ca 0.25 -1.77 -0.02 0.00 1.00 0.00 0.00 64.86 64.33 2g6i h ILE 593 Cb -0.01 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2g6i h ILE 593 CO -0.04 0.26 0.19 1.23 0.00 0.00 0.00 178.15 179.79 2g6i h GLY 594 N -1.00 0.66 0.00 5.37 0.00 -1.04 0.91 103.07 107.97 2g6i h GLY 594 Ca -0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2g6i h GLY 594 CO -0.08 0.32 -0.49 -2.08 0.00 0.00 0.00 176.54 174.21 2g6i h VAL 595 N 0.54 0.09 0.13 4.60 2.07 -1.37 -3.33 116.25 118.97 2g6i h VAL 595 Ca 0.14 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2g6i h VAL 595 Cb 0.14 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 2g6i h VAL 595 CO -0.02 0.03 -0.06 0.03 0.02 0.00 0.00 177.57 177.57 2g6i h ARG 596 N -1.00 -0.17 -0.44 1.57 2.47 -1.48 -0.71 114.38 114.63 2g6i h ARG 596 Ca -0.03 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2g6i h ARG 596 Cb 0.50 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 2g6i h ARG 596 CO -0.02 -0.11 0.28 -0.44 0.56 0.00 0.00 179.97 180.25 2g6i h ASP 597 N -0.69 0.51 0.21 7.04 3.32 -1.16 -1.83 116.42 123.81 2g6i h ASP 597 Ca -0.02 -0.02 -0.34 0.00 0.02 0.00 0.00 57.03 56.67 2g6i h ASP 597 Cb 0.13 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 2g6i h ASP 597 CO 0.03 0.37 -2.06 -1.22 -1.72 0.00 0.00 179.24 174.64 2g6i n TYR 598 N -4.46 0.66 0.61 4.55 0.53 0.30 -1.97 117.16 117.39 2g6i n TYR 598 Ca 0.03 0.20 0.06 0.00 -1.02 0.00 0.00 57.90 57.17 2g6i n TYR 598 Cb 0.06 -1.11 -0.06 0.00 -1.03 0.00 0.00 39.34 37.21 2g6i n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2g6i n ASP 600 N -1.03 3.11 0.18 0.00 10.43 -0.69 -4.64 116.55 123.91 2g6i n ASP 600 Ca 0.03 1.11 0.04 0.00 2.57 0.00 0.00 54.79 58.54 2g6i n ASP 600 Cb 0.22 -1.58 0.43 0.00 1.84 0.00 0.00 41.12 42.04 2g6i n ASP 600 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 2g6i h ASN 601 N 2.19 0.08 -0.46 -2.24 -0.26 -1.93 -2.48 115.58 110.48 2g6i h ASN 601 Ca -0.50 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.22 2g6i h ASN 601 Cb 1.28 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.52 2g6i h ASN 601 CO 0.60 0.29 0.00 -1.20 -1.06 0.00 0.00 177.43 176.07 2g6i n SER 602 N -4.26 3.45 0.00 5.81 7.64 -1.26 -4.57 113.62 120.44 2g6i n SER 602 Ca -0.02 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.56 2g6i n SER 602 Cb 0.29 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2g6i n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2g6i n ARG 603 N 0.72 1.69 0.28 1.43 5.12 -0.96 -4.24 116.66 120.71 2g6i n ARG 603 Ca 0.18 0.00 0.18 0.00 -1.93 0.00 0.00 57.85 56.28 2g6i n ARG 603 Cb 0.65 0.00 0.78 0.00 -1.16 0.00 0.00 32.46 32.73 2g6i n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 2g6i h TYR 604 N 0.00 0.00 -6.62 -1.55 -1.99 -1.56 -3.41 116.97 101.83 2g6i h TYR 604 Ca 0.00 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.23 2g6i h TYR 604 Cb 0.00 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.75 2g6i h TYR 604 CO 0.00 0.03 -0.96 -1.71 -0.00 0.00 0.00 178.16 175.51 2g6i n ASN 605 N -3.15 -4.82 -0.99 3.88 4.05 -0.71 -4.91 115.26 108.61 2g6i n ASN 605 Ca -0.00 -1.09 0.12 0.00 0.45 0.00 0.00 54.58 54.05 2g6i n ASN 605 Cb 0.27 -2.34 0.15 0.00 1.23 0.00 0.00 39.78 39.08 2g6i n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 2g6i n ILE 606 N -4.15 0.13 -0.20 -1.44 -5.35 -0.39 -4.62 119.36 103.33 2g6i n ILE 606 Ca -0.14 -0.55 0.01 0.00 -0.27 0.00 0.00 62.75 61.79 2g6i n ILE 606 Cb 0.59 1.33 0.10 0.00 -1.74 0.00 0.00 39.64 39.92 2g6i n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2g6i h LEU 607 N 4.55 -0.21 0.44 7.28 3.38 -1.87 -2.08 115.31 126.81 2g6i h LEU 607 Ca 0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2g6i h LEU 607 Cb 0.98 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2g6i h LEU 607 CO 0.00 -0.09 -0.28 -0.33 0.09 0.00 0.00 178.44 177.83 2g6i h GLU 608 N 0.14 -0.67 -0.50 1.13 5.08 -1.99 0.78 114.58 118.55 2g6i h GLU 608 Ca 0.32 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.81 2g6i h GLU 608 Cb 0.50 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 2g6i h GLU 608 CO -0.49 -0.45 0.09 1.49 -1.00 0.00 0.00 179.01 178.65 2g6i h GLU 609 N -0.70 0.21 -0.66 2.33 4.81 -1.83 0.25 114.58 119.00 2g6i h GLU 609 Ca -0.05 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2g6i h GLU 609 Cb 0.57 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 2g6i h GLU 609 CO 0.04 0.14 0.40 0.28 -0.73 0.00 0.00 179.01 179.14 2g6i h VAL 610 N 0.22 1.19 -0.76 0.32 2.07 -1.23 -2.15 116.25 115.92 2g6i h VAL 610 Ca 0.25 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.37 2g6i h VAL 610 Cb 0.35 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2g6i h VAL 610 CO -0.34 0.20 0.47 0.00 0.02 0.00 0.00 177.57 177.92 2g6i h ALA 611 N 1.20 1.00 0.72 1.67 0.00 0.11 -2.37 119.26 121.59 2g6i h ALA 611 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2g6i h ALA 611 Cb -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.54 2g6i h ALA 611 CO -0.04 0.26 -0.34 0.87 0.00 0.00 0.00 179.25 179.99 2g6i h LYS 612 N 0.92 -0.93 -0.75 0.00 1.57 -0.10 -2.38 116.57 114.90 2g6i h LYS 612 Ca 0.31 0.06 0.22 0.00 -1.87 0.00 0.00 60.65 59.37 2g6i h LYS 612 Cb 0.04 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2g6i h LYS 612 CO -0.12 -0.60 0.65 0.87 -0.57 0.00 0.00 179.45 179.68 2g6i h LYS 613 N -1.04 0.00 -0.01 3.15 1.79 -1.27 1.62 116.57 120.81 2g6i h LYS 613 Ca -0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2g6i h LYS 613 Cb 0.76 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2g6i h LYS 613 CO 0.16 0.00 -0.08 -1.33 -1.08 0.00 0.00 179.45 177.13 2g6i n MET 614 N -3.91 1.39 -3.61 3.15 2.81 -0.90 -4.97 117.12 111.09 2g6i n MET 614 Ca 0.15 -0.80 -0.20 0.00 -1.81 0.00 0.00 57.70 55.05 2g6i n MET 614 Cb 0.92 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.95 2g6i n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2g6i n ASP 615 N -0.11 -5.56 -4.77 7.83 4.64 0.55 -4.98 116.55 114.16 2g6i n ASP 615 Ca 0.17 -0.71 -0.26 0.00 -1.38 0.00 0.00 54.79 52.62 2g6i n ASP 615 Cb 0.35 -2.50 -0.06 0.00 -1.04 0.00 0.00 41.12 37.86 2g6i n ASP 615 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2g6i s LEU 616 N -4.58 3.68 -0.60 -2.67 1.43 -1.12 -5.03 118.68 109.78 2g6i s LEU 616 Ca 0.03 -0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 52.63 2g6i s LEU 616 Cb -0.00 -2.28 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 2g6i s LEU 616 CO 0.86 0.06 1.61 -0.62 0.23 0.00 0.00 176.35 178.49 2g6i s ASP 617 N -3.18 5.74 0.00 2.29 3.68 -1.26 -4.79 116.67 119.15 2g6i s ASP 617 Ca 0.30 0.24 0.19 0.00 2.13 0.00 0.00 52.55 55.41 2g6i s ASP 617 Cb -0.09 -2.54 0.54 0.00 -1.45 0.00 0.00 42.92 39.37 2g6i s ASP 617 CO 0.22 -2.03 1.45 0.23 0.13 0.00 0.00 175.17 175.17 2g6i n MET 618 N 9.02 2.39 -0.08 4.34 2.81 -1.26 -4.32 117.12 130.02 2g6i n MET 618 Ca 0.15 -2.15 -0.12 0.00 -1.81 0.00 0.00 57.70 53.76 2g6i n MET 618 Cb 0.50 -1.47 0.01 0.00 -0.71 0.00 0.00 33.22 31.54 2g6i n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2g6i h ARG 619 N 3.60 0.83 -4.39 0.03 3.08 -2.05 -3.44 114.38 112.05 2g6i h ARG 619 Ca 0.00 -0.45 -0.47 0.00 0.07 0.00 0.00 59.98 59.13 2g6i h ARG 619 Cb 0.82 0.02 -0.33 0.00 0.08 0.00 0.00 29.97 30.56 2g6i h ARG 619 CO 0.00 1.09 -0.80 -1.59 -1.07 0.00 0.00 179.97 177.60 2g6i s LYS 620 N -4.29 1.30 0.43 0.04 -2.85 -1.26 -5.03 119.74 108.07 2g6i s LYS 620 Ca -0.10 -0.30 0.17 0.00 -1.00 0.00 0.00 55.97 54.74 2g6i s LYS 620 Cb 0.11 -1.14 1.07 0.00 -2.06 0.00 0.00 37.83 35.81 2g6i s LYS 620 CO 0.87 0.01 1.89 1.79 0.10 0.00 0.00 175.35 180.01 2g6i h THR 621 N 5.94 0.75 0.00 3.79 1.35 -1.90 -1.46 112.91 121.38 2g6i h THR 621 Ca -0.34 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2g6i h THR 621 Cb 1.17 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2g6i h THR 621 CO 0.48 0.07 0.02 -1.54 -0.25 0.00 0.00 175.52 174.30 2g6i n SER 622 N -4.49 0.00 0.16 5.36 3.41 -1.26 0.30 113.62 117.10 2g6i n SER 622 Ca 0.16 0.23 0.13 0.00 -0.26 0.00 0.00 58.87 59.13 2g6i n SER 622 Cb 0.60 -0.23 0.29 0.00 -0.26 0.00 0.00 64.21 64.61 2g6i n SER 622 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2g6i h SER 623 N 0.00 0.00 -3.60 4.04 4.64 -1.55 -3.47 113.55 113.61 2g6i h SER 623 Ca 0.00 -0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 2g6i h SER 623 Cb 0.04 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.17 2g6i h SER 623 CO 0.00 0.00 -0.50 0.18 -0.87 0.00 0.00 176.83 175.64 2g6i n LEU 624 N -2.66 -2.39 0.06 5.97 4.77 0.15 -4.90 117.00 118.01 2g6i n LEU 624 Ca 0.05 -0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 55.82 2g6i n LEU 624 Cb 0.48 -2.59 0.29 0.00 -2.33 0.00 0.00 43.42 39.26 2g6i n LEU 624 CO 0.32 0.13 0.81 4.11 -1.33 0.00 0.00 177.39 181.43 2g6i h TRP 625 N -0.97 0.40 -0.27 -1.77 5.08 -1.82 -0.04 115.95 116.55 2g6i h TRP 625 Ca -0.44 -0.07 -0.02 0.00 1.08 0.00 0.00 58.89 59.44 2g6i h TRP 625 Cb 1.31 -0.10 -0.01 0.00 -3.00 0.00 0.00 29.16 27.35 2g6i h TRP 625 CO 0.45 0.54 0.10 0.87 -1.28 0.00 0.00 178.44 179.12 2g6i h LYS 626 N 0.33 0.41 -0.35 0.12 1.57 -1.90 -2.01 116.57 114.74 2g6i h LYS 626 Ca 0.06 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2g6i h LYS 626 Cb 0.53 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2g6i h LYS 626 CO 0.03 0.45 0.16 -0.44 -0.57 0.00 0.00 179.45 179.08 2g6i h ASP 627 N 0.28 0.47 -0.10 0.86 5.19 -1.82 -1.43 116.42 119.87 2g6i h ASP 627 Ca 0.09 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2g6i h ASP 627 Cb 0.20 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 2g6i h ASP 627 CO -0.01 0.49 0.06 1.56 -3.12 0.00 0.00 179.24 178.22 2g6i h GLN 628 N 0.43 0.13 -0.86 3.56 4.20 -0.92 -2.09 115.11 119.56 2g6i h GLN 628 Ca 0.12 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.83 2g6i h GLN 628 Cb 0.15 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 2g6i h GLN 628 CO -0.01 0.08 0.57 0.00 -0.67 0.00 0.00 178.83 178.80 2g6i h ALA 629 N 1.04 1.09 -0.55 3.87 0.00 -1.30 -2.55 119.26 120.87 2g6i h ALA 629 Ca 0.04 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2g6i h ALA 629 Cb -0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 2g6i h ALA 629 CO -0.01 0.48 0.30 1.25 0.00 0.00 0.00 179.25 181.27 2g6i h LEU 630 N 1.15 0.46 -0.36 0.00 5.85 -0.92 -1.33 115.31 120.16 2g6i h LEU 630 Ca 0.32 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2g6i h LEU 630 Cb -0.12 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2g6i h LEU 630 CO -0.07 0.32 0.23 0.58 -0.34 0.00 0.00 178.44 179.16 2g6i h VAL 631 N 0.59 1.10 -0.78 1.05 2.07 -0.99 -2.29 116.25 117.00 2g6i h VAL 631 Ca 0.23 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2g6i h VAL 631 Cb 0.10 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2g6i h VAL 631 CO -0.14 0.10 0.47 -0.33 0.02 0.00 0.00 177.57 177.69 2g6i h GLU 632 N 0.48 1.06 -0.75 1.57 4.39 -1.07 -0.90 114.58 119.35 2g6i h GLU 632 Ca 0.13 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 2g6i h GLU 632 Cb -0.04 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.36 2g6i h GLU 632 CO -0.03 0.75 0.45 0.82 -1.16 0.00 0.00 179.01 179.84 2g6i h ILE 633 N 1.07 1.21 0.00 3.13 2.04 -1.06 -0.66 117.51 123.25 2g6i h ILE 633 Ca 0.28 -0.47 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 2g6i h ILE 633 Cb -0.04 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 2g6i h ILE 633 CO -0.05 0.22 -0.52 0.78 0.00 0.00 0.00 178.15 178.58 2g6i h ASN 634 N 1.03 0.00 -0.56 1.72 2.35 -0.99 -1.79 115.58 117.34 2g6i h ASN 634 Ca 0.27 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 2g6i h ASN 634 Cb -0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2g6i h ASN 634 CO -0.05 0.52 -0.06 0.40 -1.65 0.00 0.00 177.43 176.59 2g6i h ILE 635 N 0.00 1.27 -0.49 2.81 2.04 -0.53 -2.61 117.51 119.99 2g6i h ILE 635 Ca -0.01 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 2g6i h ILE 635 Cb 0.99 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2g6i h ILE 635 CO 0.07 0.43 0.22 0.00 0.00 0.00 0.00 178.15 178.87 2g6i h ALA 636 N 0.95 0.64 -0.04 1.87 0.00 -0.69 -1.45 119.26 120.54 2g6i h ALA 636 Ca 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2g6i h ALA 636 Cb 0.62 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2g6i h ALA 636 CO 0.04 0.22 0.02 0.28 0.00 0.00 0.00 179.25 179.80 2g6i h VAL 637 N 0.65 1.14 0.10 0.00 2.07 -1.26 -1.03 116.25 117.93 2g6i h VAL 637 Ca 0.17 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2g6i h VAL 637 Cb 0.14 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2g6i h VAL 637 CO -0.02 0.11 -0.05 -0.07 0.02 0.00 0.00 177.57 177.57 2g6i h LEU 638 N -0.10 -0.11 -0.65 2.57 3.38 -1.41 -2.19 115.31 116.80 2g6i h LEU 638 Ca 0.01 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.98 2g6i h LEU 638 Cb 0.17 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2g6i h LEU 638 CO -0.00 0.01 0.32 0.22 0.09 0.00 0.00 178.44 179.07 2g6i h TYR 639 N -0.23 0.57 -0.32 1.13 3.20 -1.26 0.07 116.97 120.13 2g6i h TYR 639 Ca -0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 2g6i h TYR 639 Cb 0.19 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2g6i h TYR 639 CO -0.04 0.22 0.10 0.77 -1.64 0.00 0.00 178.16 177.57 2g6i h SER 640 N 0.56 0.47 -0.48 -2.11 0.02 -1.04 -0.40 113.55 110.57 2g6i h SER 640 Ca 0.31 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2g6i h SER 640 Cb 0.30 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2g6i h SER 640 CO -0.24 0.55 0.16 -0.26 -1.14 0.00 0.00 176.83 175.89 2g6i h PHE 641 N 0.36 0.77 -0.67 3.45 -1.00 -1.02 -1.84 116.94 116.99 2g6i h PHE 641 Ca 0.10 -0.08 -0.05 0.00 2.81 0.00 0.00 57.97 60.76 2g6i h PHE 641 Cb 0.25 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.56 2g6i h PHE 641 CO 0.01 0.67 0.24 1.96 -1.61 0.00 0.00 178.31 179.57 2g6i h GLN 642 N 0.64 1.03 -0.78 1.51 4.20 -0.89 0.56 115.11 121.38 2g6i h GLN 642 Ca 0.16 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 2g6i h GLN 642 Cb 0.26 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 2g6i h GLN 642 CO -0.01 0.88 0.31 0.77 -0.67 0.00 0.00 178.83 180.11 2g6i h SER 643 N 0.97 1.09 -0.05 1.46 0.02 -0.90 -1.48 113.55 114.65 2g6i h SER 643 Ca 0.22 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2g6i h SER 643 Cb 0.26 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2g6i h SER 643 CO -0.01 0.97 0.00 0.47 -1.14 0.00 0.00 176.83 177.12 2g6i n ASP 644 N -4.29 0.53 -3.57 3.07 8.00 -0.71 -4.91 116.55 114.68 2g6i n ASP 644 Ca 0.07 -1.49 -0.20 0.00 0.71 0.00 0.00 54.79 53.88 2g6i n ASP 644 Cb 0.19 -0.03 0.06 0.00 -0.02 0.00 0.00 41.12 41.32 2g6i n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2g6i n LYS 645 N -0.44 -5.01 -4.84 -1.24 5.02 -0.56 -5.00 118.16 106.09 2g6i n LYS 645 Ca 0.15 0.71 -0.33 0.00 -2.02 0.00 0.00 58.31 56.83 2g6i n LYS 645 Cb 0.15 -5.41 -0.16 0.00 -0.02 0.00 0.00 35.03 29.59 2g6i n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2g6i s VAL 646 N -3.53 2.53 0.26 -0.18 1.01 0.09 -4.44 120.40 116.14 2g6i s VAL 646 Ca 0.07 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2g6i s VAL 646 Cb -0.02 -2.03 -0.14 0.00 0.00 0.00 0.00 36.38 34.19 2g6i s VAL 646 CO 0.78 0.54 1.14 0.41 0.00 0.00 0.00 175.10 177.97 2g6i n THR 647 N 3.73 1.55 -3.56 3.92 -1.04 -0.20 -4.31 114.28 114.37 2g6i n THR 647 Ca -0.19 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.05 61.33 2g6i n THR 647 Cb 0.52 -1.10 -0.05 0.00 -1.82 0.00 0.00 70.33 67.89 2g6i n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 2g6i s ILE 648 N -0.68 0.00 -0.02 12.58 2.07 -1.26 -4.45 121.20 129.45 2g6i s ILE 648 Ca 0.63 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.90 2g6i s ILE 648 Cb -0.72 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 40.87 2g6i s ILE 648 CO 0.57 0.00 -0.09 0.54 -1.91 0.00 0.00 174.94 174.04 2g6i s VAL 649 N -1.50 0.78 0.69 4.00 0.11 -0.61 -5.00 120.40 118.87 2g6i s VAL 649 Ca -0.01 -0.38 -0.11 0.00 -2.93 0.00 0.00 61.98 58.55 2g6i s VAL 649 Cb -0.01 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 2g6i s VAL 649 CO 0.00 0.23 1.07 1.51 -3.33 0.00 0.00 175.10 174.59 2g6i s ASP 650 N 0.04 5.54 0.45 3.54 -4.77 -1.26 -1.10 116.67 119.11 2g6i s ASP 650 Ca -0.01 1.32 0.21 0.00 -3.30 0.00 0.00 52.55 50.78 2g6i s ASP 650 Cb -0.07 -2.20 1.07 0.00 -1.09 0.00 0.00 42.92 40.63 2g6i s ASP 650 CO 0.00 -1.30 1.93 1.12 0.70 0.00 0.00 175.17 177.62 2g6i h HIS 651 N -0.62 0.00 0.21 2.11 2.07 -1.98 -1.62 115.15 115.32 2g6i h HIS 651 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 2g6i h HIS 651 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 2g6i h HIS 651 CO 0.56 0.23 -0.10 0.45 -3.07 0.00 0.00 177.93 176.01 2g6i h HIS 652 N 0.00 -0.26 -0.37 6.12 3.86 -1.95 -2.11 115.15 120.43 2g6i h HIS 652 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2g6i h HIS 652 Cb 0.55 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 2g6i h HIS 652 CO 0.00 0.08 0.24 1.03 0.86 0.00 0.00 177.93 180.15 2g6i h SER 653 N -0.65 0.43 -0.72 2.45 0.87 -1.93 -2.12 113.55 111.88 2g6i h SER 653 Ca -0.03 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 2g6i h SER 653 Cb 0.47 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 2g6i h SER 653 CO 0.05 0.32 0.35 0.00 -0.53 0.00 0.00 176.83 177.02 2g6i h ALA 654 N 1.13 0.94 -0.07 6.23 0.00 -1.33 -1.80 119.26 124.35 2g6i h ALA 654 Ca 0.14 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2g6i h ALA 654 Cb -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2g6i h ALA 654 CO -0.03 0.50 -0.70 1.79 0.00 0.00 0.00 179.25 180.81 2g6i h THR 655 N 1.02 1.39 -0.48 0.00 1.35 -1.28 -0.90 112.91 114.01 2g6i h THR 655 Ca 0.25 -2.14 -0.05 0.00 -0.55 0.00 0.00 66.41 63.92 2g6i h THR 655 Cb 0.12 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 2g6i h THR 655 CO -0.03 0.64 0.11 -0.08 -0.25 0.00 0.00 175.52 175.90 2g6i h GLU 656 N 0.23 0.78 -0.67 4.72 4.81 -1.26 -1.89 114.58 121.29 2g6i h GLU 656 Ca -0.02 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 2g6i h GLU 656 Cb 1.26 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 2g6i h GLU 656 CO 0.12 0.76 0.23 0.77 -0.73 0.00 0.00 179.01 180.16 2g6i h SER 657 N 0.66 0.94 -0.46 1.04 0.02 -1.17 -2.62 113.55 111.96 2g6i h SER 657 Ca 0.15 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2g6i h SER 657 Cb 0.34 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 2g6i h SER 657 CO 0.00 0.87 0.02 0.15 -1.14 0.00 0.00 176.83 176.73 2g6i h PHE 658 N 0.99 0.92 -0.37 3.45 3.57 -0.83 -0.48 116.94 124.20 2g6i h PHE 658 Ca 0.22 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2g6i h PHE 658 Cb 0.25 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2g6i h PHE 658 CO 0.02 0.83 0.18 0.82 -2.23 0.00 0.00 178.31 177.93 2g6i h ILE 659 N 0.81 1.16 -0.60 1.41 1.08 -1.07 0.40 117.51 120.69 2g6i h ILE 659 Ca 0.16 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 2g6i h ILE 659 Cb 0.46 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 2g6i h ILE 659 CO 0.02 0.17 0.34 0.11 -0.69 0.00 0.00 178.15 178.10 2g6i h LYS 660 N 0.46 0.84 -0.54 2.37 1.57 -1.23 -0.77 116.57 119.27 2g6i h LYS 660 Ca 0.13 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2g6i h LYS 660 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2g6i h LYS 660 CO -0.02 0.63 0.26 1.25 -0.57 0.00 0.00 179.45 181.00 2g6i h HIS 661 N 0.82 0.77 -0.60 -1.35 2.76 -0.62 -1.40 115.15 115.53 2g6i h HIS 661 Ca 0.21 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 2g6i h HIS 661 Cb 0.02 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 2g6i h HIS 661 CO -0.01 0.60 0.21 1.98 -1.30 0.00 0.00 177.93 179.40 2g6i h MET 662 N 0.72 0.92 -0.38 5.26 1.85 0.18 0.02 114.93 123.50 2g6i h MET 662 Ca 0.19 -0.19 -0.04 0.00 -0.61 0.00 0.00 59.70 59.05 2g6i h MET 662 Cb 0.11 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 31.99 2g6i h MET 662 CO -0.02 0.81 0.08 0.93 -0.40 0.00 0.00 176.91 178.30 2g6i h GLU 663 N 0.85 0.62 -0.42 0.39 5.08 -1.01 -1.58 114.58 118.50 2g6i h GLU 663 Ca 0.20 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2g6i h GLU 663 Cb 0.26 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2g6i h GLU 663 CO -0.01 0.66 0.14 -0.97 -1.00 0.00 0.00 179.01 177.84 2g6i h ASN 664 N 0.47 0.15 -0.99 1.42 -1.24 -0.92 -2.12 115.58 112.35 2g6i h ASN 664 Ca 0.12 0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.20 2g6i h ASN 664 Cb 0.33 0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.36 2g6i h ASN 664 CO 0.00 0.12 0.65 -0.33 -1.29 0.00 0.00 177.43 176.59 2g6i h GLU 665 N 0.31 1.25 -0.54 6.67 4.39 -0.76 0.93 114.58 126.82 2g6i h GLU 665 Ca 0.19 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 2g6i h GLU 665 Cb 0.18 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2g6i h GLU 665 CO -0.20 0.83 0.24 1.88 -1.16 0.00 0.00 179.01 180.60 2g6i h TYR 666 N 1.29 0.80 0.07 4.33 -1.99 -0.75 0.43 116.97 121.14 2g6i h TYR 666 Ca 0.38 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 61.06 2g6i h TYR 666 Cb -0.06 -0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.43 2g6i h TYR 666 CO -0.00 0.64 -0.03 0.00 -0.00 0.00 0.00 178.16 178.76 2g6i h ARG 667 N 0.73 -0.08 0.00 4.88 3.08 -0.82 0.10 114.38 122.27 2g6i h ARG 667 Ca 0.18 0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.13 2g6i h ARG 667 Cb 0.16 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2g6i h ARG 667 CO -0.02 0.32 -0.89 0.00 -1.07 0.00 0.00 179.97 178.31 2g6i n ARG 669 N -3.01 2.71 -0.52 0.00 0.63 0.14 -5.02 116.66 111.59 2g6i n ARG 669 Ca -0.03 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2g6i n ARG 669 Cb 0.74 -0.90 0.00 0.00 0.45 0.00 0.00 32.46 32.75 2g6i n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2g6i n GLY 670 N 1.75 0.74 0.00 5.14 0.00 0.35 -4.58 105.19 108.59 2g6i n GLY 670 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2g6i n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g6i n GLY 671 N -2.51 0.85 3.10 -0.02 0.00 -1.08 -0.62 105.19 104.92 2g6i n GLY 671 Ca 0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 2g6i n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g6i n PRO 673 N 5.11 2.56 -3.75 0.00 -0.04 -1.26 -4.67 135.00 132.96 2g6i n PRO 673 Ca 0.06 0.91 -0.12 0.00 -0.04 0.00 0.00 63.50 64.31 2g6i n PRO 673 Cb 0.53 -2.68 -0.11 0.00 -0.04 0.00 0.00 33.50 31.21 2g6i n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g6i s ALA 674 N 0.08 -0.77 -0.50 0.55 0.00 0.05 -4.25 121.76 116.92 2g6i s ALA 674 Ca 0.66 1.00 -0.15 0.00 0.00 0.00 0.00 51.96 53.47 2g6i s ALA 674 Cb -0.53 -0.60 0.10 0.00 0.00 0.00 0.00 23.12 22.09 2g6i s ALA 674 CO 0.47 -0.17 0.43 0.34 0.00 0.00 0.00 175.76 176.82 2g6i s ASP 675 N 0.55 6.09 0.23 0.00 -1.08 0.54 -3.58 116.67 119.42 2g6i s ASP 675 Ca -0.03 -1.58 -0.07 0.00 -0.52 0.00 0.00 52.55 50.36 2g6i s ASP 675 Cb -0.05 -2.17 0.35 0.00 -1.46 0.00 0.00 42.92 39.59 2g6i s ASP 675 CO -0.03 -0.73 1.77 -0.25 0.52 0.00 0.00 175.17 176.45 2g6i h TRP 676 N 8.76 0.62 -0.76 -5.34 7.01 -1.92 0.36 115.95 124.68 2g6i h TRP 676 Ca -0.28 0.03 0.15 0.00 2.11 0.00 0.00 58.89 60.90 2g6i h TRP 676 Cb 1.10 -0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.94 2g6i h TRP 676 CO 0.67 0.21 0.51 0.28 -2.79 0.00 0.00 178.44 177.32 2g6i h VAL 677 N 0.58 0.80 0.03 2.65 2.07 -1.92 -2.10 116.25 118.36 2g6i h VAL 677 Ca 0.36 -0.15 -0.33 0.00 0.82 0.00 0.00 66.70 67.39 2g6i h VAL 677 Cb 0.39 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2g6i h VAL 677 CO -0.28 0.08 -1.98 0.79 0.02 0.00 0.00 177.57 176.20 2g6i n TRP 678 N -4.48 0.79 -0.09 1.57 7.02 -0.61 -4.48 117.44 117.16 2g6i n TRP 678 Ca 0.14 0.24 -0.12 0.00 -1.02 0.00 0.00 57.50 56.74 2g6i n TRP 678 Cb 0.52 -1.13 -0.05 0.00 -2.42 0.00 0.00 31.31 28.23 2g6i n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 2g6i h ILE 679 N 0.02 1.30 -2.74 -0.99 1.08 -0.67 -3.43 117.51 112.07 2g6i h ILE 679 Ca -0.40 -1.23 -0.53 0.00 -0.39 0.00 0.00 64.86 62.31 2g6i h ILE 679 Cb 2.05 1.56 0.03 0.00 -3.07 0.00 0.00 36.82 37.39 2g6i h ILE 679 CO 0.06 0.39 0.95 -0.69 -0.69 0.00 0.00 178.15 178.16 2g6i s VAL 680 N -4.56 2.84 0.54 1.67 1.01 -0.82 -4.92 120.40 116.16 2g6i s VAL 680 Ca -0.13 0.46 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 2g6i s VAL 680 Cb 0.08 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 2g6i s VAL 680 CO 0.78 0.01 1.28 -2.65 0.00 0.00 0.00 175.10 174.53 2g6i n PRO 681 N 4.88 1.56 0.00 2.72 -0.02 -1.26 -4.91 135.00 137.98 2g6i n PRO 681 Ca 0.15 0.58 0.05 0.00 -2.02 0.00 0.00 63.50 62.26 2g6i n PRO 681 Cb 0.40 -2.48 0.30 0.00 -0.02 0.00 0.00 33.50 31.70 2g6i n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2g6i n PRO 682 N -0.90 0.48 -3.86 0.52 -0.04 -1.26 -4.29 135.00 125.65 2g6i n PRO 682 Ca 0.11 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.46 2g6i n PRO 682 Cb 0.44 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.48 2g6i n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2g6i s MET 683 N -2.00 0.59 -1.47 0.54 0.23 -1.26 -4.92 119.30 111.01 2g6i s MET 683 Ca 0.15 -0.50 -0.13 0.00 -1.03 0.00 0.00 55.69 54.19 2g6i s MET 683 Cb 0.07 0.25 0.09 0.00 -1.53 0.00 0.00 34.83 33.71 2g6i s MET 683 CO 0.12 -0.16 0.72 0.43 -2.03 0.00 0.00 175.02 174.10 2g6i n SER 684 N 1.08 -4.11 -0.17 -1.18 7.64 -1.26 -4.88 113.62 110.73 2g6i n SER 684 Ca -0.21 -0.64 -0.08 0.00 1.01 0.00 0.00 58.87 58.95 2g6i n SER 684 Cb 0.57 -3.34 -0.06 0.00 -1.01 0.00 0.00 64.21 60.36 2g6i n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2g6i h GLY 685 N -1.46 -1.46 1.93 0.23 0.00 -1.92 -2.22 103.07 98.17 2g6i h GLY 685 Ca -0.52 0.85 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2g6i h GLY 685 CO 0.63 -0.36 0.00 -1.14 0.00 0.00 0.00 176.54 175.67 2g6i n SER 686 N -4.38 0.00 -1.15 0.19 3.41 -1.26 -1.84 113.62 108.59 2g6i n SER 686 Ca -0.01 0.44 0.08 0.00 -0.26 0.00 0.00 58.87 59.12 2g6i n SER 686 Cb 0.19 -0.47 0.26 0.00 -0.26 0.00 0.00 64.21 63.93 2g6i n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2g6i n ILE 687 N -1.47 1.09 -4.95 -1.33 -5.35 -0.84 -4.77 119.36 101.75 2g6i n ILE 687 Ca 0.03 -0.81 -0.33 0.00 -0.27 0.00 0.00 62.75 61.37 2g6i n ILE 687 Cb 0.11 0.17 -0.13 0.00 -1.74 0.00 0.00 39.64 38.05 2g6i n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2g6i s THR 688 N -1.55 2.92 0.50 7.28 -4.23 -0.76 -5.03 115.64 114.77 2g6i s THR 688 Ca 0.38 -0.77 0.21 0.00 -1.18 0.00 0.00 61.69 60.32 2g6i s THR 688 Cb 0.22 -2.13 0.37 0.00 1.34 0.00 0.00 72.50 72.30 2g6i s THR 688 CO 0.21 0.59 2.00 1.55 -0.54 0.00 0.00 174.62 178.43 2g6i h PRO 689 N 5.39 0.14 0.00 3.99 0.13 -1.86 -2.87 132.00 136.91 2g6i h PRO 689 Ca -0.46 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2g6i h PRO 689 Cb 1.15 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2g6i h PRO 689 CO 0.50 0.09 -0.06 -0.39 -0.23 0.00 0.00 178.00 177.91 2g6i h VAL 690 N 0.14 0.88 -0.97 1.56 -1.51 -1.89 -2.34 116.25 112.13 2g6i h VAL 690 Ca 0.25 -0.23 0.05 0.00 -1.23 0.00 0.00 66.70 65.55 2g6i h VAL 690 Cb 0.81 1.13 -0.06 0.00 -2.13 0.00 0.00 31.29 31.04 2g6i h VAL 690 CO -0.03 0.06 0.63 0.15 -1.23 0.00 0.00 177.57 177.15 2g6i h PHE 691 N 0.00 1.16 -0.01 5.19 3.57 -1.71 -2.04 116.94 123.10 2g6i h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2g6i h PHE 691 Cb 0.12 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.48 2g6i h PHE 691 CO 0.00 0.63 -0.00 0.72 -2.23 0.00 0.00 178.31 177.43 2g6i n HIS 692 N -4.47 0.00 -3.56 0.41 8.25 -0.88 -4.85 115.22 110.12 2g6i n HIS 692 Ca 0.14 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.23 2g6i n HIS 692 Cb 0.15 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.17 2g6i n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2g6i s GLN 693 N -2.01 4.09 0.36 -0.41 2.00 -0.77 -1.13 119.66 121.79 2g6i s GLN 693 Ca 0.41 -0.11 -0.26 0.00 -2.00 0.00 0.00 55.36 53.41 2g6i s GLN 693 Cb 0.21 -3.55 -0.09 0.00 0.80 0.00 0.00 33.01 30.38 2g6i s GLN 693 CO 0.35 -0.00 1.03 -1.21 -0.50 0.00 0.00 175.29 174.96 2g6i s GLU 694 N 1.23 4.36 0.07 1.67 2.02 -0.78 -5.00 118.70 122.27 2g6i s GLU 694 Ca 0.11 1.52 0.02 0.00 0.02 0.00 0.00 54.97 56.64 2g6i s GLU 694 Cb -0.14 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 2g6i s GLU 694 CO 0.06 0.03 -0.06 -1.64 0.02 0.00 0.00 175.26 173.67 2g6i s MET 695 N -2.18 0.70 -0.10 1.61 -1.94 -1.26 -4.65 119.30 111.47 2g6i s MET 695 Ca 0.53 -1.12 0.03 0.00 -1.71 0.00 0.00 55.69 53.42 2g6i s MET 695 Cb -0.23 -0.18 -0.01 0.00 2.01 0.00 0.00 34.83 36.42 2g6i s MET 695 CO 0.29 -0.01 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.59 2g6i s LEU 696 N -2.53 2.38 -0.20 -0.03 1.43 -1.26 -4.95 118.68 113.52 2g6i s LEU 696 Ca 0.04 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.67 2g6i s LEU 696 Cb 0.00 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 2g6i s LEU 696 CO -0.04 0.19 -0.06 0.21 0.23 0.00 0.00 176.35 176.89 2g6i s ASN 697 N 0.18 4.29 0.15 2.29 3.04 -1.23 -0.77 114.94 122.89 2g6i s ASN 697 Ca -0.11 -0.36 -0.17 0.00 0.04 0.00 0.00 52.86 52.26 2g6i s ASN 697 Cb -0.16 -1.72 0.04 0.00 -1.54 0.00 0.00 41.25 37.87 2g6i s ASN 697 CO 0.06 0.02 0.46 -0.72 -3.04 0.00 0.00 177.10 173.88 2g6i s TYR 698 N 1.22 -0.21 -0.26 0.43 -0.85 -1.26 -4.97 117.35 111.45 2g6i s TYR 698 Ca 0.03 -0.10 -0.07 0.00 -0.52 0.00 0.00 57.07 56.41 2g6i s TYR 698 Cb -0.14 0.33 -0.02 0.00 0.38 0.00 0.00 41.96 42.51 2g6i s TYR 698 CO -0.02 -0.78 0.07 1.03 -1.52 0.00 0.00 175.55 174.33 2g6i s ARG 699 N -3.82 3.52 0.18 -3.49 0.52 -1.26 -4.80 118.95 109.80 2g6i s ARG 699 Ca 0.05 -0.56 0.07 0.00 -0.52 0.00 0.00 55.73 54.77 2g6i s ARG 699 Cb 0.01 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 2g6i s ARG 699 CO -0.09 -0.24 -0.00 -0.51 0.02 0.00 0.00 175.30 174.47 2g6i s LEU 700 N 1.58 3.30 0.14 2.53 1.43 -1.26 -3.95 118.68 122.46 2g6i s LEU 700 Ca 0.06 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 52.83 2g6i s LEU 700 Cb -0.15 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 2g6i s LEU 700 CO 0.03 0.08 -0.16 0.42 0.23 0.00 0.00 176.35 176.95 2g6i s THR 701 N -1.77 2.91 0.82 5.49 -4.23 -1.26 -4.29 115.64 113.32 2g6i s THR 701 Ca 0.28 -1.60 -0.13 0.00 -1.18 0.00 0.00 61.69 59.05 2g6i s THR 701 Cb -0.09 -2.38 0.07 0.00 1.34 0.00 0.00 72.50 71.44 2g6i s THR 701 CO 0.19 0.01 1.03 -2.65 -0.54 0.00 0.00 174.62 172.66 2g6i n PRO 702 N 0.50 0.09 -3.69 3.99 -0.02 -1.26 -5.01 135.00 129.60 2g6i n PRO 702 Ca -0.14 0.10 -0.10 0.00 -2.02 0.00 0.00 63.50 61.34 2g6i n PRO 702 Cb 0.54 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 2g6i n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2g6i s SER 703 N -2.07 -0.25 -0.17 2.55 1.04 -0.73 -3.88 113.70 110.18 2g6i s SER 703 Ca 0.70 -0.41 -0.08 0.00 0.48 0.00 0.00 55.95 56.65 2g6i s SER 703 Cb -0.28 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2g6i s SER 703 CO 0.54 -0.96 0.08 -0.36 0.98 0.00 0.00 173.24 173.53 2g6i s PHE 704 N -3.84 3.33 0.20 5.02 0.40 -1.26 -0.58 117.98 121.25 2g6i s PHE 704 Ca 0.07 0.21 0.07 0.00 -0.60 0.00 0.00 56.93 56.67 2g6i s PHE 704 Cb 0.00 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.43 2g6i s PHE 704 CO -0.07 0.29 -0.12 -1.21 0.70 0.00 0.00 175.22 174.81 2g6i s GLU 705 N 0.08 1.28 0.59 0.44 0.41 0.12 -4.93 118.70 116.69 2g6i s GLU 705 Ca 0.07 -1.58 -0.12 0.00 -0.41 0.00 0.00 54.97 52.93 2g6i s GLU 705 Cb -0.12 -0.99 -0.05 0.00 -1.78 0.00 0.00 34.13 31.19 2g6i s GLU 705 CO 0.00 0.14 1.01 0.71 -0.49 0.00 0.00 175.26 176.63 2g6i s TYR 706 N -3.07 3.59 0.04 1.61 4.12 -1.26 -0.26 117.35 122.11 2g6i s TYR 706 Ca 0.22 1.31 -0.10 0.00 0.02 0.00 0.00 57.07 58.52 2g6i s TYR 706 Cb 0.01 -2.72 0.01 0.00 -1.52 0.00 0.00 41.96 37.73 2g6i s TYR 706 CO 0.06 -0.60 0.21 1.14 0.02 0.00 0.00 175.55 176.38 2g6i s GLN 707 N -4.90 0.71 0.63 -0.62 -2.07 -1.26 -4.72 119.66 107.43 2g6i s GLN 707 Ca 0.56 -0.61 -0.19 0.00 -1.82 0.00 0.00 55.36 53.30 2g6i s GLN 707 Cb -0.11 0.30 -0.02 0.00 -1.09 0.00 0.00 33.01 32.09 2g6i s GLN 707 CO 0.48 -0.21 1.22 -2.30 -1.32 0.00 0.00 175.29 173.17 2g6i n PRO 708 N 0.67 1.13 -1.89 9.60 -0.02 -1.26 -4.91 135.00 138.31 2g6i n PRO 708 Ca -0.19 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 2g6i n PRO 708 Cb 0.59 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 2g6i n PRO 708 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2g6i s ASP 709 N -1.30 6.51 0.42 2.55 1.01 -1.26 -4.88 116.67 119.71 2g6i s ASP 709 Ca 0.80 2.81 0.14 0.00 0.71 0.00 0.00 52.55 57.01 2g6i s ASP 709 Cb -0.39 -2.63 1.02 0.00 1.01 0.00 0.00 42.92 41.93 2g6i s ASP 709 CO 0.43 -0.82 1.93 1.55 0.21 0.00 0.00 175.17 178.47 2g6i h PRO 710 N 5.13 0.43 0.00 8.23 0.13 -1.91 -1.60 132.00 142.40 2g6i h PRO 710 Ca -0.46 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2g6i h PRO 710 Cb 1.22 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2g6i h PRO 710 CO 0.80 0.29 -0.00 0.11 -0.23 0.00 0.00 178.00 178.97 2g6i h TRP 711 N 0.45 0.00 0.00 1.56 0.09 -1.95 0.10 115.95 116.20 2g6i h TRP 711 Ca 0.35 0.00 -0.05 0.00 0.09 0.00 0.00 58.89 59.28 2g6i h TRP 711 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.98 2g6i h TRP 711 CO -0.00 0.00 -0.40 -0.91 0.09 0.00 0.00 178.44 177.22 2g6i h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.66 -3.38 115.58 113.00 2g6i h ASN 712 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2g6i h ASN 712 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2g6i h ASN 712 CO 0.00 0.21 -1.03 0.35 -1.65 0.00 0.00 177.43 175.31 2g6i n THR 713 N -3.07 0.00 -1.80 2.81 -2.24 -0.73 -5.05 114.28 104.20 2g6i n THR 713 Ca 0.02 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 2g6i n THR 713 Cb 0.62 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 2g6i n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2g6i s HIS 714 N -2.12 2.96 -0.56 4.78 5.04 0.28 -4.96 115.29 120.70 2g6i s HIS 714 Ca -0.01 0.44 -0.22 0.00 -1.54 0.00 0.00 55.06 53.74 2g6i s HIS 714 Cb 0.02 -4.07 0.06 0.00 0.04 0.00 0.00 32.58 28.63 2g6i s HIS 714 CO 0.14 -4.01 0.83 0.08 -2.34 0.00 0.00 174.74 169.44 2g6i s VAL 715 N 1.14 4.56 0.21 0.89 1.01 -1.26 -5.01 120.40 121.95 2g6i s VAL 715 Ca 0.73 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 2g6i s VAL 715 Cb -0.48 -4.49 -0.09 0.00 0.00 0.00 0.00 36.38 31.32 2g6i s VAL 715 CO 0.32 -1.09 1.38 0.26 0.00 0.00 0.00 175.10 175.97 2g6i s TRP 716 N 3.45 3.15 -0.09 5.22 0.52 -1.26 -4.91 118.94 125.02 2g6i s TRP 716 Ca 0.22 1.10 0.12 0.00 0.02 0.00 0.00 56.10 57.57 2g6i s TRP 716 Cb -0.17 -3.71 -0.24 0.00 -1.15 0.00 0.00 33.47 28.21 2g6i s TRP 716 CO 0.14 -2.30 0.50 1.63 0.02 0.00 0.00 176.95 176.94 2g6i n LYS 717 N 2.62 0.65 -0.85 4.98 4.76 -1.26 -5.11 118.16 123.95 2g6i n LYS 717 Ca 0.07 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 2g6i n LYS 717 Cb 0.41 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 2g6i n LYS 717 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44