#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2s s PHE 300 N 0.00 0.08 -0.10 -0.14 0.40 -1.26 -4.62 117.98 112.33 1k2s s PHE 300 Ca 0.00 0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.52 1k2s s PHE 300 Cb 0.00 -0.36 -0.01 0.00 0.51 0.00 0.00 43.02 43.17 1k2s s PHE 300 CO 0.00 -0.14 -0.21 -0.51 0.70 0.00 0.00 175.22 175.07 1k2s s LEU 301 N 1.51 2.28 0.16 -0.37 1.43 -0.97 -4.93 118.68 117.79 1k2s s LEU 301 Ca -0.03 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.48 1k2s s LEU 301 Cb -0.13 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.56 1k2s s LEU 301 CO -0.03 0.17 0.49 -0.54 0.23 0.00 0.00 176.35 176.67 1k2s s LYS 302 N 0.27 3.82 -0.07 1.70 -0.14 -1.26 0.20 119.74 124.26 1k2s s LYS 302 Ca -0.15 0.26 -0.01 0.00 -1.36 0.00 0.00 55.97 54.71 1k2s s LYS 302 Cb -0.17 -2.84 0.03 0.00 -1.68 0.00 0.00 37.83 33.17 1k2s s LYS 302 CO 0.07 0.44 0.01 0.08 -0.76 0.00 0.00 175.35 175.20 1k2s s VAL 303 N -1.60 0.28 0.02 3.17 1.01 -0.13 -4.96 120.40 118.20 1k2s s VAL 303 Ca 0.40 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.61 1k2s s VAL 303 Cb -0.13 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1k2s s VAL 303 CO 0.20 0.24 -0.08 -0.75 0.00 0.00 0.00 175.10 174.72 1k2s s LYS 304 N 2.01 2.46 -0.31 2.72 2.20 -1.26 -0.46 119.74 127.11 1k2s s LYS 304 Ca 0.05 -0.79 -0.08 0.00 -0.36 0.00 0.00 55.97 54.79 1k2s s LYS 304 Cb -0.12 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 1k2s s LYS 304 CO -0.05 0.58 0.12 1.21 -0.36 0.00 0.00 175.35 176.86 1k2s s ASN 305 N -1.56 5.37 0.00 1.43 3.84 -0.21 -2.16 114.94 121.65 1k2s s ASN 305 Ca 0.18 -0.62 0.11 0.00 0.21 0.00 0.00 52.86 52.74 1k2s s ASN 305 Cb -0.11 -1.95 0.66 0.00 -0.55 0.00 0.00 41.25 39.30 1k2s s ASN 305 CO 0.09 -0.20 1.28 0.79 -2.79 0.00 0.00 177.10 176.26 1k2s n TRP 306 N 4.93 0.00 -0.01 0.43 7.02 -0.37 0.55 117.44 130.00 1k2s n TRP 306 Ca -0.14 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.40 1k2s n TRP 306 Cb 0.49 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.27 1k2s n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1k2s n GLU 307 N -0.71 0.44 0.00 -0.99 2.13 -1.26 -4.61 120.64 115.64 1k2s n GLU 307 Ca 0.08 -0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1k2s n GLU 307 Cb 0.04 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1k2s n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1k2s n THR 308 N -1.97 0.01 -0.38 6.31 -2.24 -1.13 -5.01 114.28 109.87 1k2s n THR 308 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1k2s n THR 308 Cb 0.35 1.50 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 1k2s n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k2s n ASP 309 N -0.00 0.00 -4.72 3.42 8.00 0.19 -4.93 116.55 118.51 1k2s n ASP 309 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1k2s n ASP 309 Cb 0.13 -1.97 -0.02 0.00 -0.02 0.00 0.00 41.12 39.24 1k2s n ASP 309 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k2s n VAL 310 N -2.00 0.49 -5.02 2.53 0.31 -1.24 -4.61 118.33 108.79 1k2s n VAL 310 Ca 0.00 -0.12 -0.32 0.00 -0.01 0.00 0.00 64.34 63.89 1k2s n VAL 310 Cb 0.00 -1.91 -0.14 0.00 -0.91 0.00 0.00 33.84 30.88 1k2s n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1k2s s VAL 311 N 0.58 2.72 0.12 2.52 1.01 -1.26 -1.05 120.40 125.04 1k2s s VAL 311 Ca 0.70 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1k2s s VAL 311 Cb -0.52 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1k2s s VAL 311 CO 0.41 0.58 -0.20 -0.76 0.00 0.00 0.00 175.10 175.13 1k2s s LEU 312 N -0.53 2.34 -0.14 3.92 1.43 0.40 -4.95 118.68 121.15 1k2s s LEU 312 Ca 0.07 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1k2s s LEU 312 Cb -0.11 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 1k2s s LEU 312 CO 0.01 0.03 0.01 -0.89 0.23 0.00 0.00 176.35 175.74 1k2s s THR 313 N -1.41 4.38 -0.22 5.49 2.01 -1.26 -0.95 115.64 123.67 1k2s s THR 313 Ca 0.09 -0.20 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 1k2s s THR 313 Cb -0.09 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 1k2s s THR 313 CO 0.05 0.53 -0.01 -0.62 -0.69 0.00 0.00 174.62 173.88 1k2s s ASP 314 N -0.13 4.62 -0.00 3.53 -1.08 0.13 -4.60 116.67 119.14 1k2s s ASP 314 Ca 0.05 -0.30 0.01 0.00 -0.52 0.00 0.00 52.55 51.78 1k2s s ASP 314 Cb -0.12 -1.80 -0.01 0.00 -1.46 0.00 0.00 42.92 39.52 1k2s s ASP 314 CO 0.02 -0.00 0.03 0.35 0.52 0.00 0.00 175.17 176.08 1k2s n THR 315 N 4.70 0.00 0.16 1.71 -2.24 0.20 -2.30 114.28 116.51 1k2s n THR 315 Ca -0.17 -0.30 0.03 0.00 -2.27 0.00 0.00 64.05 61.33 1k2s n THR 315 Cb 0.51 0.80 0.40 0.00 -2.10 0.00 0.00 70.33 69.95 1k2s n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1k2s h LEU 316 N 0.00 0.12 -2.55 3.22 6.46 -1.57 -2.68 115.31 118.31 1k2s h LEU 316 Ca 0.00 -0.03 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1k2s h LEU 316 Cb 0.02 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1k2s h LEU 316 CO 0.00 0.34 0.13 1.12 -0.62 0.00 0.00 178.44 179.41 1k2s h HIS 317 N 0.11 0.00 0.00 1.25 2.07 -1.83 -1.06 115.15 115.69 1k2s h HIS 317 Ca 0.02 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.52 1k2s h HIS 317 Cb 0.44 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.42 1k2s h HIS 317 CO 0.00 0.00 -0.10 -0.07 -3.07 0.00 0.00 177.93 174.70 1k2s h LEU 318 N 0.00 0.00 -1.23 6.12 3.38 -1.82 -0.66 115.31 121.09 1k2s h LEU 318 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1k2s h LEU 318 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1k2s h LEU 318 CO -0.00 0.10 0.00 0.29 0.09 0.00 0.00 178.44 178.92 1k2s n LYS 319 N -4.12 1.83 -2.12 1.13 5.02 -0.40 -4.90 118.16 114.60 1k2s n LYS 319 Ca -0.03 -1.01 -0.40 0.00 -2.02 0.00 0.00 58.31 54.85 1k2s n LYS 319 Cb 0.18 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 33.82 1k2s n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k2s s SER 320 N -0.81 6.65 0.00 4.39 0.15 -0.26 -4.92 113.70 118.90 1k2s s SER 320 Ca 0.18 2.65 0.00 0.00 0.70 0.00 0.00 55.95 59.49 1k2s s SER 320 Cb 0.11 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1k2s s SER 320 CO 0.11 -0.61 0.00 0.41 1.20 0.00 0.00 173.24 174.34 1k2s n THR 321 N 0.59 0.00 -1.12 6.45 -1.04 -1.21 -5.07 114.28 112.88 1k2s n THR 321 Ca 0.01 0.17 -0.29 0.00 -2.04 0.00 0.00 64.05 61.90 1k2s n THR 321 Cb 0.43 -1.12 0.17 0.00 -1.82 0.00 0.00 70.33 67.98 1k2s n THR 321 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1k2s s LEU 322 N -4.59 1.79 0.73 -4.42 1.43 -1.26 -5.06 118.68 107.30 1k2s s LEU 322 Ca 0.00 1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 54.33 1k2s s LEU 322 Cb 0.00 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.67 1k2s s LEU 322 CO 0.00 -3.05 1.10 -1.61 0.23 0.00 0.00 176.35 173.02 1k2s s GLU 323 N -4.91 2.50 -0.09 1.70 2.02 -1.26 -4.65 118.70 114.01 1k2s s GLU 323 Ca 0.65 0.22 0.11 0.00 0.02 0.00 0.00 54.97 55.97 1k2s s GLU 323 Cb -0.19 -2.04 -0.16 0.00 0.10 0.00 0.00 34.13 31.85 1k2s s GLU 323 CO 0.58 -1.21 0.10 0.25 0.02 0.00 0.00 175.26 175.00 1k2s n THR 324 N -3.06 0.59 0.00 3.63 -2.24 -1.26 -4.85 114.28 107.09 1k2s n THR 324 Ca 0.07 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1k2s n THR 324 Cb 0.59 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1k2s n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k2s n GLY 325 N 2.16 1.95 3.94 3.38 0.00 -1.26 -4.81 105.19 110.55 1k2s n GLY 325 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1k2s n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2s n THR 327 N -1.50 0.00 0.18 0.00 -2.24 -0.17 -5.01 114.28 105.55 1k2s n THR 327 Ca -0.05 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.84 1k2s n THR 327 Cb 0.56 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.89 1k2s n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k2s h GLU 328 N 0.00 0.00 -0.02 -0.78 3.07 -2.05 -3.30 114.58 111.51 1k2s h GLU 328 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1k2s h GLU 328 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1k2s h GLU 328 CO 0.00 0.07 -0.44 0.72 -1.40 0.00 0.00 179.01 177.97 1k2s n HIS 329 N -3.02 0.00 -3.64 4.33 8.25 -1.26 -4.96 115.22 114.92 1k2s n HIS 329 Ca 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.41 1k2s n HIS 329 Cb 0.57 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.61 1k2s n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1k2s s ILE 330 N -2.45 0.00 -0.18 1.59 2.07 -1.24 -5.14 121.20 115.85 1k2s s ILE 330 Ca 0.19 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.36 1k2s s ILE 330 Cb 0.18 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.73 1k2s s ILE 330 CO 0.55 0.00 0.06 0.00 -1.91 0.00 0.00 174.94 173.64 1k2s n MET 332 N 3.49 1.78 -0.20 0.00 2.81 -1.26 -4.81 117.12 118.92 1k2s n MET 332 Ca -0.17 -3.22 0.26 0.00 -1.81 0.00 0.00 57.70 52.77 1k2s n MET 332 Cb 0.52 -1.77 0.67 0.00 -0.71 0.00 0.00 33.22 31.93 1k2s n MET 332 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1k2s h GLY 333 N 1.00 0.25 -3.13 3.03 0.00 -1.94 -1.09 103.07 101.19 1k2s h GLY 333 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1k2s h GLY 333 CO 0.29 -0.01 0.00 -1.14 0.00 0.00 0.00 176.54 175.68 1k2s n SER 334 N -4.34 4.89 -4.64 0.19 3.41 -1.26 -4.87 113.62 107.01 1k2s n SER 334 Ca 0.19 -2.60 -0.40 0.00 -0.26 0.00 0.00 58.87 55.81 1k2s n SER 334 Cb 0.90 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 1k2s n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1k2s s ILE 335 N -2.15 5.04 0.30 -1.33 -1.09 -0.42 -4.97 121.20 116.60 1k2s s ILE 335 Ca 0.50 1.03 0.06 0.00 -2.23 0.00 0.00 60.65 60.01 1k2s s ILE 335 Cb 0.34 -3.88 0.31 0.00 -1.58 0.00 0.00 42.46 37.65 1k2s s ILE 335 CO 0.20 0.09 1.66 -0.03 -1.23 0.00 0.00 174.94 175.63 1k2s h MET 336 N 7.75 0.27 -0.96 2.79 4.05 -1.90 -3.39 114.93 123.54 1k2s h MET 336 Ca -0.30 -0.02 0.06 0.00 -0.28 0.00 0.00 59.70 59.16 1k2s h MET 336 Cb 1.14 -0.06 -0.21 0.00 -0.80 0.00 0.00 31.60 31.67 1k2s h MET 336 CO 0.75 0.18 -0.33 -0.48 0.23 0.00 0.00 176.91 177.26 1k2s s LEU 337 N -10.57 -1.50 -0.01 3.39 0.05 -1.26 -5.18 118.68 103.61 1k2s s LEU 337 Ca -0.11 0.36 -0.03 0.00 0.05 0.00 0.00 54.13 54.40 1k2s s LEU 337 Cb 0.27 2.03 -0.02 0.00 -2.05 0.00 0.00 46.19 46.42 1k2s s LEU 337 CO 0.78 -0.28 0.49 -0.65 -0.55 0.00 0.00 176.35 176.14 1k2s h PRO 338 N 7.97 -0.12 0.00 1.48 0.11 -1.87 -3.54 132.00 136.03 1k2s h PRO 338 Ca -0.07 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1k2s h PRO 338 Cb 1.18 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1k2s h PRO 338 CO 0.16 -0.08 0.00 2.41 -0.21 0.00 0.00 178.00 180.28 1k2s n THR 350 N -2.65 0.00 0.06 -1.15 -1.04 -1.26 -5.02 114.28 103.22 1k2s n THR 350 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.86 1k2s n THR 350 Cb 0.05 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.49 1k2s n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1k2s h LYS 351 N 0.00 -0.56 -0.36 -2.82 1.57 -1.93 0.93 116.57 113.40 1k2s h LYS 351 Ca 0.00 0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1k2s h LYS 351 Cb 0.00 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1k2s h LYS 351 CO 0.00 -0.37 0.14 0.38 -0.57 0.00 0.00 179.45 179.03 1k2s h ASP 352 N -0.58 0.45 -0.21 0.86 2.03 -2.01 -1.79 116.42 115.16 1k2s h ASP 352 Ca 0.05 -0.04 -0.13 0.00 -0.73 0.00 0.00 57.03 56.18 1k2s h ASP 352 Cb 0.66 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1k2s h ASP 352 CO -0.32 0.41 -0.37 1.56 -1.03 0.00 0.00 179.24 179.49 1k2s h GLN 353 N 0.50 0.62 -0.41 4.15 4.20 -1.76 -3.33 115.11 119.07 1k2s h GLN 353 Ca 0.12 -0.39 -0.08 0.00 0.06 0.00 0.00 58.65 58.37 1k2s h GLN 353 Cb 0.10 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1k2s h GLN 353 CO -0.01 1.00 -0.08 1.25 -0.67 0.00 0.00 178.83 180.31 1k2s h LEU 354 N 0.31 0.69 -0.08 1.46 5.85 0.13 -3.28 115.31 120.39 1k2s h LEU 354 Ca 0.01 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1k2s h LEU 354 Cb 0.96 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1k2s h LEU 354 CO 0.08 0.81 -0.01 0.15 -0.34 0.00 0.00 178.44 179.14 1k2s h PHE 355 N 0.65 0.17 -0.54 1.25 3.57 -1.45 -1.16 116.94 119.43 1k2s h PHE 355 Ca 0.12 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.68 1k2s h PHE 355 Cb 0.53 -0.04 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 1k2s h PHE 355 CO 0.02 0.45 0.09 -1.00 -2.23 0.00 0.00 178.31 175.64 1k2s h PRO 356 N -0.16 0.21 -0.43 6.41 0.13 -1.71 0.27 132.00 136.72 1k2s h PRO 356 Ca 0.02 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.18 1k2s h PRO 356 Cb 0.39 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.43 1k2s h PRO 356 CO 0.01 0.14 0.19 -0.07 -0.23 0.00 0.00 178.00 178.04 1k2s h LEU 357 N 0.22 0.26 0.13 1.56 3.38 -1.60 0.17 115.31 119.43 1k2s h LEU 357 Ca 0.28 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1k2s h LEU 357 Cb 0.40 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1k2s h LEU 357 CO -0.38 0.19 -0.11 0.00 0.09 0.00 0.00 178.44 178.22 1k2s h ALA 358 N 1.25 -0.24 -0.24 1.53 0.00 0.13 -1.24 119.26 120.46 1k2s h ALA 358 Ca 0.19 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1k2s h ALA 358 Cb 0.13 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1k2s h ALA 358 CO -0.16 -0.65 -0.19 -0.22 0.00 0.00 0.00 179.25 178.03 1k2s h LYS 359 N -0.26 -0.18 -0.37 0.00 3.64 0.01 0.83 116.57 120.23 1k2s h LYS 359 Ca -0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1k2s h LYS 359 Cb 0.24 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.02 1k2s h LYS 359 CO -0.02 -0.12 -0.28 1.49 -2.27 0.00 0.00 179.45 178.25 1k2s h GLU 360 N -0.19 -0.22 0.47 1.90 4.81 -0.45 0.01 114.58 120.92 1k2s h GLU 360 Ca 0.14 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1k2s h GLU 360 Cb 0.39 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1k2s h GLU 360 CO -0.35 -0.15 -0.36 0.35 -0.73 0.00 0.00 179.01 177.78 1k2s h PHE 361 N -0.23 -0.95 -0.95 0.92 3.57 -0.42 -1.95 116.94 116.93 1k2s h PHE 361 Ca 0.17 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.80 1k2s h PHE 361 Cb 0.51 0.36 -0.09 0.00 2.79 0.00 0.00 35.95 39.52 1k2s h PHE 361 CO -0.49 -0.52 0.58 -0.07 -2.23 0.00 0.00 178.31 175.57 1k2s h LEU 362 N -0.81 0.81 -0.41 0.59 3.38 -0.50 0.12 115.31 118.49 1k2s h LEU 362 Ca -0.05 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1k2s h LEU 362 Cb 0.69 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1k2s h LEU 362 CO 0.01 0.41 0.25 0.44 0.09 0.00 0.00 178.44 179.64 1k2s h ASP 363 N 0.88 0.49 0.09 -0.43 3.32 -0.79 0.21 116.42 120.20 1k2s h ASP 363 Ca 0.49 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.51 1k2s h ASP 363 Cb 0.54 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1k2s h ASP 363 CO -0.29 0.39 -0.28 1.56 -1.72 0.00 0.00 179.24 178.91 1k2s h GLN 364 N 0.55 -0.46 0.28 3.56 4.20 -0.15 0.14 115.11 123.24 1k2s h GLN 364 Ca 0.15 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1k2s h GLN 364 Cb -0.01 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1k2s h GLN 364 CO -0.03 -0.30 -0.48 -0.92 -0.67 0.00 0.00 178.83 176.42 1k2s h TYR 365 N -0.47 -1.37 -0.38 2.96 3.20 -0.33 -0.24 116.97 120.34 1k2s h TYR 365 Ca 0.04 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1k2s h TYR 365 Cb 0.52 0.56 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 1k2s h TYR 365 CO -0.27 -0.60 0.25 1.88 -1.64 0.00 0.00 178.16 177.78 1k2s h TYR 366 N -0.83 0.44 -0.58 -3.82 -1.99 -0.87 -0.03 116.97 109.28 1k2s h TYR 366 Ca -0.02 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 1k2s h TYR 366 Cb 0.78 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.34 1k2s h TYR 366 CO -0.34 0.27 0.09 1.03 -0.00 0.00 0.00 178.16 179.21 1k2s h SER 367 N 0.47 0.90 0.13 3.88 0.87 -0.15 -0.21 113.55 119.43 1k2s h SER 367 Ca 0.15 -0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.41 1k2s h SER 367 Cb 0.01 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1k2s h SER 367 CO -0.03 0.91 -0.32 0.77 -0.53 0.00 0.00 176.83 177.62 1k2s h SER 368 N 0.89 0.30 -0.04 6.23 4.64 0.78 -2.73 113.55 123.63 1k2s h SER 368 Ca 0.18 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1k2s h SER 368 Cb 0.40 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1k2s h SER 368 CO 0.01 0.62 0.00 2.30 -0.87 0.00 0.00 176.83 178.89 1k2s n ILE 369 N -4.09 0.04 -2.80 0.95 -5.35 -0.84 -4.94 119.36 102.33 1k2s n ILE 369 Ca -0.01 -0.26 -0.09 0.00 -0.27 0.00 0.00 62.75 62.11 1k2s n ILE 369 Cb 0.43 0.45 0.04 0.00 -1.74 0.00 0.00 39.64 38.82 1k2s n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1k2s n LYS 370 N 0.18 -3.50 -1.78 6.28 5.02 -0.86 -4.96 118.16 118.56 1k2s n LYS 370 Ca 0.19 0.42 0.02 0.00 -2.02 0.00 0.00 58.31 56.92 1k2s n LYS 370 Cb 0.34 -4.19 0.02 0.00 -0.02 0.00 0.00 35.03 31.19 1k2s n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1k2s n ARG 371 N -2.62 0.40 -1.92 1.97 5.12 -0.15 -5.04 116.66 114.42 1k2s n ARG 371 Ca -0.11 -2.23 -0.42 0.00 -1.93 0.00 0.00 57.85 53.16 1k2s n ARG 371 Cb 0.57 -0.30 -0.03 0.00 -1.16 0.00 0.00 32.46 31.55 1k2s n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1k2s s PHE 372 N -0.81 1.88 0.00 -1.55 5.36 -1.17 -2.32 117.98 119.38 1k2s s PHE 372 Ca 0.30 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.33 1k2s s PHE 372 Cb 0.35 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 1k2s s PHE 372 CO -0.13 -4.25 0.00 0.41 -1.46 0.00 0.00 175.22 169.79 1k2s n GLY 373 N 4.20 2.89 2.71 13.12 0.00 -1.26 -5.03 105.19 121.82 1k2s n GLY 373 Ca 0.18 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1k2s n GLY 373 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2s n SER 374 N 0.26 -3.07 -0.01 1.61 3.41 -0.98 -4.38 113.62 110.45 1k2s n SER 374 Ca 0.00 0.02 -0.12 0.00 -0.26 0.00 0.00 58.87 58.51 1k2s n SER 374 Cb 0.00 -0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 63.39 1k2s n SER 374 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1k2s h LYS 375 N -0.90 0.10 -0.82 4.33 3.64 -1.97 -1.47 116.57 119.48 1k2s h LYS 375 Ca -0.36 -0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.12 1k2s h LYS 375 Cb 1.25 -0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.93 1k2s h LYS 375 CO 0.19 0.33 -0.42 0.00 -2.27 0.00 0.00 179.45 177.28 1k2s h ALA 376 N 0.76 -0.10 0.03 5.00 0.00 -1.92 1.12 119.26 124.15 1k2s h ALA 376 Ca 0.02 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1k2s h ALA 376 Cb 0.28 1.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1k2s h ALA 376 CO 0.00 -0.73 -0.53 1.25 0.00 0.00 0.00 179.25 179.24 1k2s h HIS 377 N -0.09 -1.55 -0.50 0.00 -0.00 -1.72 -1.05 115.15 110.25 1k2s h HIS 377 Ca 0.26 0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.71 1k2s h HIS 377 Cb 0.56 0.67 -0.04 0.00 -0.00 0.00 0.00 27.41 28.60 1k2s h HIS 377 CO -0.82 -0.58 0.27 0.52 -0.00 0.00 0.00 177.93 177.33 1k2s h MET 378 N -0.69 0.52 0.19 5.26 2.07 0.30 0.41 114.93 122.99 1k2s h MET 378 Ca 0.01 -0.03 0.01 0.00 -2.07 0.00 0.00 59.70 57.62 1k2s h MET 378 Cb 0.73 -0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 30.30 1k2s h MET 378 CO -0.34 0.34 -0.52 -0.44 1.07 0.00 0.00 176.91 177.02 1k2s h ASP 379 N 0.53 -1.55 -0.65 1.22 3.32 0.16 0.29 116.42 119.74 1k2s h ASP 379 Ca 0.21 0.16 0.11 0.00 0.02 0.00 0.00 57.03 57.53 1k2s h ASP 379 Cb 0.08 0.56 -0.08 0.00 0.22 0.00 0.00 39.33 40.10 1k2s h ASP 379 CO -0.12 -0.58 0.21 -0.09 -1.72 0.00 0.00 179.24 176.94 1k2s h ARG 380 N -0.80 0.35 -0.60 3.56 9.65 -1.00 0.57 114.38 126.11 1k2s h ARG 380 Ca -0.02 -0.02 0.11 0.00 -1.10 0.00 0.00 59.98 58.95 1k2s h ARG 380 Cb 0.78 -0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 29.20 1k2s h ARG 380 CO -0.24 0.23 0.17 1.25 2.80 0.00 0.00 179.97 184.18 1k2s h LEU 381 N 0.36 0.10 -0.18 3.80 5.85 0.15 0.12 115.31 125.51 1k2s h LEU 381 Ca 0.34 0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.96 1k2s h LEU 381 Cb 0.48 0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.63 1k2s h LEU 381 CO -0.37 0.06 -0.64 -0.08 -0.34 0.00 0.00 178.44 177.07 1k2s h GLU 382 N 0.32 0.75 -0.42 1.25 4.81 0.18 -2.51 114.58 118.95 1k2s h GLU 382 Ca 0.31 -0.57 0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1k2s h GLU 382 Cb 0.44 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1k2s h GLU 382 CO -0.36 1.19 0.18 1.49 -0.73 0.00 0.00 179.01 180.78 1k2s h GLU 383 N 0.47 0.36 -0.33 1.92 4.81 0.92 0.57 114.58 123.29 1k2s h GLU 383 Ca -0.03 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1k2s h GLU 383 Cb 1.27 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1k2s h GLU 383 CO 0.14 0.24 0.10 0.28 -0.73 0.00 0.00 179.01 179.03 1k2s h VAL 384 N 0.37 1.21 0.25 0.32 2.07 -0.84 -0.03 116.25 119.59 1k2s h VAL 384 Ca 0.19 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1k2s h VAL 384 Cb 0.14 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1k2s h VAL 384 CO -0.16 0.24 -0.46 -1.13 0.02 0.00 0.00 177.57 176.07 1k2s h ASN 385 N 0.39 -1.34 -0.33 0.57 -1.24 -0.95 0.16 115.58 112.84 1k2s h ASN 385 Ca 0.11 0.13 0.07 0.00 0.71 0.00 0.00 56.30 57.32 1k2s h ASN 385 Cb 0.26 0.48 -0.07 0.00 0.73 0.00 0.00 38.32 39.72 1k2s h ASN 385 CO -0.00 -0.56 -0.16 0.11 -1.29 0.00 0.00 177.43 175.53 1k2s h LYS 386 N -0.78 -0.10 -0.57 6.67 1.79 -0.80 -0.05 116.57 122.73 1k2s h LYS 386 Ca -0.01 0.01 0.09 0.00 -2.18 0.00 0.00 60.65 58.55 1k2s h LYS 386 Cb 0.75 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.36 1k2s h LYS 386 CO -0.19 -0.07 0.19 1.49 -1.08 0.00 0.00 179.45 179.79 1k2s h GLU 387 N -0.11 0.35 -0.15 3.15 4.81 -0.39 0.56 114.58 122.80 1k2s h GLU 387 Ca 0.17 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1k2s h GLU 387 Cb 0.36 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1k2s h GLU 387 CO -0.40 0.23 -0.22 0.82 -0.73 0.00 0.00 179.01 178.72 1k2s h ILE 388 N 0.36 1.23 -0.76 2.32 2.04 -0.03 0.16 117.51 122.83 1k2s h ILE 388 Ca 0.29 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1k2s h ILE 388 Cb 0.36 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1k2s h ILE 388 CO -0.30 0.32 0.48 -0.08 0.00 0.00 0.00 178.15 178.57 1k2s h GLU 389 N 0.24 1.01 0.00 2.37 4.57 0.99 -0.07 114.58 123.69 1k2s h GLU 389 Ca 0.04 -0.07 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 1k2s h GLU 389 Cb 0.53 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 1k2s h GLU 389 CO 0.04 0.69 -2.11 -1.13 -1.18 0.00 0.00 179.01 175.31 1k2s n SER 390 N -4.53 0.05 -0.00 1.04 3.41 -0.69 -4.59 113.62 108.31 1k2s n SER 390 Ca 0.07 0.02 0.05 0.00 -0.26 0.00 0.00 58.87 58.75 1k2s n SER 390 Cb 0.03 1.52 -0.06 0.00 -0.26 0.00 0.00 64.21 65.45 1k2s n SER 390 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1k2s n THR 391 N -2.48 0.00 -1.60 6.66 -2.24 0.55 -5.00 114.28 110.18 1k2s n THR 391 Ca -0.15 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.27 1k2s n THR 391 Cb 0.81 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.96 1k2s n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k2s n SER 392 N -1.28 -3.84 0.00 3.42 7.64 -0.04 -4.91 113.62 114.61 1k2s n SER 392 Ca 0.02 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1k2s n SER 392 Cb 0.16 -2.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.85 1k2s n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1k2s n THR 393 N -3.17 0.00 -3.47 0.44 5.66 -1.25 -4.84 114.28 107.64 1k2s n THR 393 Ca -0.10 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.79 1k2s n THR 393 Cb 0.41 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.17 1k2s n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1k2s s TYR 394 N -2.67 -0.45 -0.09 1.09 -0.85 -1.26 -3.13 117.35 109.99 1k2s s TYR 394 Ca 0.00 0.26 -0.03 0.00 -0.52 0.00 0.00 57.07 56.78 1k2s s TYR 394 Cb 0.00 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 1k2s s TYR 394 CO 0.00 -0.75 0.02 -0.65 -1.52 0.00 0.00 175.55 172.65 1k2s s GLN 395 N -3.52 3.05 -0.07 -3.49 -1.52 -1.26 -5.04 119.66 107.81 1k2s s GLN 395 Ca 0.03 -0.37 -0.24 0.00 -1.95 0.00 0.00 55.36 52.83 1k2s s GLN 395 Cb -0.01 -2.85 -0.03 0.00 -0.22 0.00 0.00 33.01 29.89 1k2s s GLN 395 CO -0.11 0.71 0.75 -0.51 -0.25 0.00 0.00 175.29 175.89 1k2s s LEU 396 N -0.91 4.31 0.58 2.90 1.02 -1.26 -5.04 118.68 120.29 1k2s s LEU 396 Ca 0.14 1.25 -0.20 0.00 0.02 0.00 0.00 54.13 55.34 1k2s s LEU 396 Cb -0.11 -3.16 -0.04 0.00 0.02 0.00 0.00 46.19 42.90 1k2s s LEU 396 CO 0.03 -0.16 1.29 -0.54 0.02 0.00 0.00 176.35 176.99 1k2s s LYS 397 N 0.94 2.98 0.24 1.70 1.02 -1.26 -4.71 119.74 120.64 1k2s s LYS 397 Ca 0.40 2.07 -0.15 0.00 0.02 0.00 0.00 55.97 58.31 1k2s s LYS 397 Cb -0.18 -2.08 0.29 0.00 -0.52 0.00 0.00 37.83 35.34 1k2s s LYS 397 CO 0.19 -1.26 1.57 -0.44 -0.92 0.00 0.00 175.35 174.48 1k2s h ASP 398 N 1.12 -1.15 -0.91 2.83 5.19 -2.00 -0.58 116.42 120.93 1k2s h ASP 398 Ca -0.51 0.28 0.13 0.00 -0.62 0.00 0.00 57.03 56.32 1k2s h ASP 398 Cb 1.31 0.65 -0.09 0.00 0.18 0.00 0.00 39.33 41.38 1k2s h ASP 398 CO 0.56 -0.30 0.52 0.71 -3.12 0.00 0.00 179.24 177.61 1k2s h THR 399 N -0.03 0.83 0.00 0.35 1.35 -2.00 -0.89 112.91 112.51 1k2s h THR 399 Ca 0.37 -0.27 -0.12 0.00 -0.55 0.00 0.00 66.41 65.83 1k2s h THR 399 Cb 0.62 -0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 66.99 1k2s h THR 399 CO -0.93 0.14 -0.59 -0.33 -0.25 0.00 0.00 175.52 173.57 1k2s h GLU 400 N 0.79 0.00 -0.29 4.72 5.08 -1.47 -2.41 114.58 121.00 1k2s h GLU 400 Ca 0.47 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.73 1k2s h GLU 400 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1k2s h GLU 400 CO -0.31 0.59 -0.21 1.25 -1.00 0.00 0.00 179.01 179.33 1k2s h LEU 401 N 0.00 0.68 -0.12 1.33 5.85 -0.48 0.39 115.31 122.96 1k2s h LEU 401 Ca -0.01 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 1k2s h LEU 401 Cb 1.08 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1k2s h LEU 401 CO 0.08 0.98 0.06 0.40 -0.34 0.00 0.00 178.44 179.61 1k2s h ILE 402 N 0.40 1.12 0.23 4.05 2.04 -1.26 -0.48 117.51 123.60 1k2s h ILE 402 Ca 0.06 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1k2s h ILE 402 Cb 0.75 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1k2s h ILE 402 CO 0.06 0.11 -0.13 0.22 0.00 0.00 0.00 178.15 178.41 1k2s h TYR 403 N 0.07 -0.34 -0.63 1.37 3.20 -1.39 -0.34 116.97 118.91 1k2s h TYR 403 Ca 0.04 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.04 1k2s h TYR 403 Cb 0.13 0.12 -0.12 0.00 1.54 0.00 0.00 36.73 38.40 1k2s h TYR 403 CO -0.03 -0.21 -0.10 0.78 -1.64 0.00 0.00 178.16 176.97 1k2s h GLY 404 N -0.34 0.54 0.68 1.82 0.00 -0.02 0.17 103.07 105.92 1k2s h GLY 404 Ca -0.03 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1k2s h GLY 404 CO 0.03 -0.23 -0.18 0.00 0.00 0.00 0.00 176.54 176.16 1k2s h ALA 405 N 1.61 -0.50 -0.80 3.60 0.00 -0.80 -1.64 119.26 120.73 1k2s h ALA 405 Ca 0.32 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.23 1k2s h ALA 405 Cb 0.50 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1k2s h ALA 405 CO -0.61 -0.62 0.54 0.87 0.00 0.00 0.00 179.25 179.43 1k2s h LYS 406 N -0.83 0.26 0.00 0.00 1.57 -0.75 -0.83 116.57 116.00 1k2s h LYS 406 Ca -0.05 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1k2s h LYS 406 Cb 0.53 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1k2s h LYS 406 CO 0.08 0.17 -0.80 0.45 -0.57 0.00 0.00 179.45 178.78 1k2s h HIS 407 N 0.27 0.00 -0.36 -1.35 3.86 -0.85 -1.51 115.15 115.20 1k2s h HIS 407 Ca 0.40 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.55 1k2s h HIS 407 Cb 1.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 1k2s h HIS 407 CO -0.00 0.70 -0.03 0.00 0.86 0.00 0.00 177.93 179.46 1k2s h ALA 408 N 1.30 1.29 0.47 2.45 0.00 -0.16 -1.32 119.26 123.30 1k2s h ALA 408 Ca -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1k2s h ALA 408 Cb 1.56 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1k2s h ALA 408 CO 0.09 0.48 -0.23 2.35 0.00 0.00 0.00 179.25 181.94 1k2s h TRP 409 N 0.54 -0.59 -0.98 0.00 2.91 -1.40 -2.57 115.95 113.87 1k2s h TRP 409 Ca 0.11 -0.01 0.28 0.00 1.13 0.00 0.00 58.89 60.40 1k2s h TRP 409 Cb 0.39 0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 29.19 1k2s h TRP 409 CO 0.01 -0.27 0.94 -0.09 -1.03 0.00 0.00 178.44 178.00 1k2s h ARG 410 N -1.03 0.00 -0.01 2.65 2.43 -0.90 0.54 114.38 118.05 1k2s h ARG 410 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1k2s h ARG 410 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1k2s h ARG 410 CO 0.11 0.00 -0.48 0.09 -1.51 0.00 0.00 179.97 178.18 1k2s n ASN 411 N -3.64 1.75 -4.56 -3.80 3.02 -0.53 -4.85 115.26 102.65 1k2s n ASN 411 Ca 0.21 -1.35 -0.18 0.00 -0.03 0.00 0.00 54.58 53.23 1k2s n ASN 411 Cb 1.25 0.45 -0.07 0.00 -0.61 0.00 0.00 39.78 40.81 1k2s n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k2s s ALA 412 N -2.53 1.00 -0.60 5.41 0.00 0.19 -4.76 121.76 120.47 1k2s s ALA 412 Ca 0.19 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1k2s s ALA 412 Cb 0.18 -4.59 0.18 0.00 0.00 0.00 0.00 23.12 18.88 1k2s s ALA 412 CO 0.59 -5.71 0.98 -1.13 0.00 0.00 0.00 175.76 170.49 1k2s n SER 413 N 17.25 0.08 -0.76 0.00 3.41 -1.26 -0.54 113.62 131.80 1k2s n SER 413 Ca 0.44 0.42 0.09 0.00 -0.26 0.00 0.00 58.87 59.57 1k2s n SER 413 Cb 0.45 -0.42 0.08 0.00 -0.26 0.00 0.00 64.21 64.06 1k2s n SER 413 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1k2s n ARG 414 N -1.52 1.63 -3.33 4.33 1.74 -1.26 0.63 116.66 118.88 1k2s n ARG 414 Ca -0.00 -1.63 -0.40 0.00 -0.77 0.00 0.00 57.85 55.05 1k2s n ARG 414 Cb 0.15 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 30.14 1k2s n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k2s h VAL 416 N 5.44 0.18 -0.64 0.00 3.04 -1.91 -3.30 116.25 119.06 1k2s h VAL 416 Ca -0.30 -1.26 -0.25 0.00 -1.01 0.00 0.00 66.70 63.87 1k2s h VAL 416 Cb 1.15 2.07 -0.15 0.00 -2.01 0.00 0.00 31.29 32.34 1k2s h VAL 416 CO 0.68 0.10 0.32 0.61 -1.01 0.00 0.00 177.57 178.28 1k2s n GLY 417 N 1.13 3.44 0.00 3.17 0.00 -1.26 -4.28 105.19 107.39 1k2s n GLY 417 Ca 0.03 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.33 1k2s n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2s n ARG 418 N -0.31 0.22 0.30 1.61 1.74 -1.25 -2.53 116.66 116.44 1k2s n ARG 418 Ca 0.37 0.13 0.17 0.00 -0.77 0.00 0.00 57.85 57.75 1k2s n ARG 418 Cb 1.24 -1.50 0.95 0.00 -1.02 0.00 0.00 32.46 32.13 1k2s n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1k2s h ILE 419 N 0.00 0.34 -0.29 0.55 2.10 -1.92 -0.70 117.51 117.59 1k2s h ILE 419 Ca 0.00 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.77 1k2s h ILE 419 Cb 0.08 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 1k2s h ILE 419 CO 0.00 0.03 0.00 0.00 -1.08 0.00 0.00 178.15 177.10 1k2s n GLN 420 N -3.51 1.98 -0.32 2.19 1.13 -1.05 -4.66 117.38 113.13 1k2s n GLN 420 Ca -0.02 -1.48 0.24 0.00 -1.94 0.00 0.00 57.00 53.79 1k2s n GLN 420 Cb 0.13 -1.40 0.46 0.00 0.11 0.00 0.00 30.24 29.54 1k2s n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1k2s h TRP 421 N 2.79 0.68 0.00 1.08 5.08 -1.33 -1.16 115.95 123.09 1k2s h TRP 421 Ca 0.00 0.04 -0.15 0.00 1.08 0.00 0.00 58.89 59.86 1k2s h TRP 421 Cb 0.62 -0.14 -0.02 0.00 -3.00 0.00 0.00 29.16 26.62 1k2s h TRP 421 CO 0.19 -0.32 -0.72 0.66 -1.28 0.00 0.00 178.44 176.97 1k2s h SER 422 N 0.15 0.00 -0.96 0.11 4.64 -1.85 -3.38 113.55 112.27 1k2s h SER 422 Ca 0.73 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 61.33 1k2s h SER 422 Cb 1.74 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.72 1k2s h SER 422 CO -0.71 0.72 2.31 1.17 -0.87 0.00 0.00 176.83 179.45 1k2s n LYS 423 N -3.52 3.24 -4.48 4.77 4.81 -0.44 -4.91 118.16 117.62 1k2s n LYS 423 Ca -0.00 -3.23 -0.24 0.00 -0.87 0.00 0.00 58.31 53.97 1k2s n LYS 423 Cb 0.74 -3.19 -0.17 0.00 0.02 0.00 0.00 35.03 32.44 1k2s n LYS 423 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1k2s s LEU 424 N 1.85 1.57 -0.20 3.14 2.96 -1.26 -4.60 118.68 122.14 1k2s s LEU 424 Ca 0.46 -0.27 -0.21 0.00 -0.22 0.00 0.00 54.13 53.89 1k2s s LEU 424 Cb 0.08 -0.76 -0.02 0.00 0.50 0.00 0.00 46.19 45.98 1k2s s LEU 424 CO -0.01 0.01 0.63 -1.58 -1.32 0.00 0.00 176.35 174.08 1k2s s GLN 425 N 0.75 4.21 -0.22 1.98 2.00 -0.99 -4.98 119.66 122.40 1k2s s GLN 425 Ca -0.13 0.61 -0.05 0.00 -2.00 0.00 0.00 55.36 53.79 1k2s s GLN 425 Cb -0.15 -3.58 -0.02 0.00 0.80 0.00 0.00 33.01 30.06 1k2s s GLN 425 CO 0.03 -0.25 -0.01 0.08 -0.50 0.00 0.00 175.29 174.64 1k2s s VAL 426 N 1.93 3.67 -0.33 1.34 1.01 -1.26 -1.44 120.40 125.32 1k2s s VAL 426 Ca 0.28 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1k2s s VAL 426 Cb -0.16 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.56 1k2s s VAL 426 CO 0.10 0.41 0.15 -0.36 0.00 0.00 0.00 175.10 175.40 1k2s s PHE 427 N 1.35 3.19 -0.86 5.22 0.08 0.09 -5.00 117.98 122.05 1k2s s PHE 427 Ca 0.04 -0.78 -0.25 0.00 0.12 0.00 0.00 56.93 56.06 1k2s s PHE 427 Cb -0.14 -2.35 0.04 0.00 -0.57 0.00 0.00 43.02 39.99 1k2s s PHE 427 CO -0.00 -0.54 1.37 0.34 -0.10 0.00 0.00 175.22 176.29 1k2s s ASP 428 N 1.57 6.28 -0.32 1.36 -1.08 -1.26 -1.19 116.67 122.03 1k2s s ASP 428 Ca 0.03 -0.89 0.10 0.00 -0.52 0.00 0.00 52.55 51.28 1k2s s ASP 428 Cb -0.18 -2.56 0.74 0.00 -1.46 0.00 0.00 42.92 39.46 1k2s s ASP 428 CO 0.05 -1.71 1.79 0.00 0.52 0.00 0.00 175.17 175.83 1k2s n ALA 429 N 9.27 4.53 0.30 3.66 0.00 0.10 -4.58 120.51 133.80 1k2s n ALA 429 Ca 0.17 -2.36 0.19 0.00 0.00 0.00 0.00 53.44 51.43 1k2s n ALA 429 Cb 0.50 -1.22 0.87 0.00 0.00 0.00 0.00 19.45 19.60 1k2s n ALA 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k2s h ARG 430 N 2.65 0.00 -0.01 0.00 3.08 -1.74 -2.45 114.38 115.91 1k2s h ARG 430 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1k2s h ARG 430 Cb 2.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.35 1k2s h ARG 430 CO 0.72 0.00 -0.02 -0.40 -1.07 0.00 0.00 179.97 179.20 1k2s n ASP 431 N -2.95 0.96 -4.72 7.04 5.75 -1.26 -4.29 116.55 117.07 1k2s n ASP 431 Ca -0.01 -1.26 -0.34 0.00 -0.01 0.00 0.00 54.79 53.17 1k2s n ASP 431 Cb 0.19 -0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.37 1k2s n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k2s n THR 433 N -2.76 0.00 -4.12 0.00 -2.24 -1.26 -4.80 114.28 99.10 1k2s n THR 433 Ca 0.13 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.82 1k2s n THR 433 Cb 0.50 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 1k2s n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k2s s THR 434 N 0.00 0.11 0.36 4.28 -4.23 -1.26 -4.65 115.64 110.25 1k2s s THR 434 Ca 0.00 -1.84 0.08 0.00 -1.18 0.00 0.00 61.69 58.75 1k2s s THR 434 Cb 0.00 -1.97 0.14 0.00 1.34 0.00 0.00 72.50 72.01 1k2s s THR 434 CO 0.00 -0.50 1.87 0.00 -0.54 0.00 0.00 174.62 175.45 1k2s h ALA 435 N 2.86 1.42 -0.42 3.99 0.00 -1.91 0.54 119.26 125.74 1k2s h ALA 435 Ca -0.35 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 1k2s h ALA 435 Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1k2s h ALA 435 CO 0.59 0.40 -0.26 0.45 0.00 0.00 0.00 179.25 180.43 1k2s h HIS 436 N 0.25 1.07 -0.38 0.00 -0.00 -1.96 0.14 115.15 114.27 1k2s h HIS 436 Ca 0.05 -0.28 -0.03 0.00 -0.00 0.00 0.00 60.37 60.11 1k2s h HIS 436 Cb 0.45 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1k2s h HIS 436 CO 0.01 1.09 0.13 0.78 -0.00 0.00 0.00 177.93 179.94 1k2s h GLY 437 N 0.74 0.63 1.64 2.45 0.00 -1.64 -0.89 103.07 106.00 1k2s h GLY 437 Ca 0.08 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1k2s h GLY 437 CO 0.07 0.34 0.24 -0.33 0.00 0.00 0.00 176.54 176.86 1k2s h MET 438 N 0.47 0.47 -0.24 4.80 0.00 0.38 -2.01 114.93 118.79 1k2s h MET 438 Ca 0.12 -0.03 -0.18 0.00 0.00 0.00 0.00 59.70 59.62 1k2s h MET 438 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 31.60 31.72 1k2s h MET 438 CO -0.01 0.31 -0.57 0.35 0.00 0.00 0.00 176.91 176.99 1k2s h PHE 439 N 0.48 0.95 -0.12 -0.22 3.04 0.15 -1.56 116.94 119.67 1k2s h PHE 439 Ca 0.13 -0.35 -0.01 0.00 3.98 0.00 0.00 57.97 61.73 1k2s h PHE 439 Cb -0.05 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 1k2s h PHE 439 CO -0.00 1.15 0.05 -0.97 -2.02 0.00 0.00 178.31 176.52 1k2s h ASN 440 N 0.57 0.16 -0.16 0.41 -1.24 -0.61 -1.56 115.58 113.15 1k2s h ASN 440 Ca 0.01 -0.14 0.03 0.00 0.71 0.00 0.00 56.30 56.91 1k2s h ASN 440 Cb 1.16 -0.04 -0.03 0.00 0.73 0.00 0.00 38.32 40.14 1k2s h ASN 440 CO 0.12 0.26 -0.05 1.88 -1.29 0.00 0.00 177.43 178.34 1k2s h TYR 441 N 0.05 -0.11 -0.93 0.67 -1.99 -1.34 -1.27 116.97 112.05 1k2s h TYR 441 Ca 0.04 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1k2s h TYR 441 Cb 0.14 0.07 -0.05 0.00 2.00 0.00 0.00 36.73 38.90 1k2s h TYR 441 CO -0.02 -0.08 0.59 0.82 -0.00 0.00 0.00 178.16 179.46 1k2s h ILE 442 N -0.02 1.25 -0.50 -2.88 2.04 -1.20 -0.14 117.51 116.07 1k2s h ILE 442 Ca 0.08 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1k2s h ILE 442 Cb 0.14 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 1k2s h ILE 442 CO -0.18 0.25 0.14 0.00 0.00 0.00 0.00 178.15 178.37 1k2s h ASN 444 N 0.68 0.89 -0.19 0.00 2.35 -0.50 -1.76 115.58 117.04 1k2s h ASN 444 Ca 0.16 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1k2s h ASN 444 Cb 0.30 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1k2s h ASN 444 CO -0.00 0.80 -0.02 -0.74 -1.65 0.00 0.00 177.43 175.81 1k2s h HIS 445 N 0.96 0.39 -0.81 1.19 2.76 -0.56 -1.43 115.15 117.65 1k2s h HIS 445 Ca 0.23 -0.08 0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1k2s h HIS 445 Cb 0.18 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 28.99 1k2s h HIS 445 CO 0.01 0.58 0.50 0.28 -1.30 0.00 0.00 177.93 178.01 1k2s h VAL 446 N 0.09 1.07 -0.00 5.26 2.07 -0.66 -1.72 116.25 122.35 1k2s h VAL 446 Ca 0.05 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1k2s h VAL 446 Cb 0.44 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1k2s h VAL 446 CO 0.01 0.17 -0.00 0.50 0.02 0.00 0.00 177.57 178.28 1k2s h LYS 447 N 0.94 0.01 -0.42 1.57 3.64 -1.21 -1.02 116.57 120.08 1k2s h LYS 447 Ca 0.34 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.76 1k2s h LYS 447 Cb 0.10 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1k2s h LYS 447 CO -0.15 0.38 0.16 -0.92 -2.27 0.00 0.00 179.45 176.66 1k2s h TYR 448 N -0.36 0.30 -0.28 1.91 3.20 -1.10 -2.06 116.97 118.57 1k2s h TYR 448 Ca 0.00 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 1k2s h TYR 448 Cb 0.38 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1k2s h TYR 448 CO 0.05 0.12 -0.24 0.00 -1.64 0.00 0.00 178.16 176.46 1k2s h ALA 449 N 1.26 0.40 -0.58 1.82 0.00 -1.34 -3.22 119.26 117.61 1k2s h ALA 449 Ca 0.19 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1k2s h ALA 449 Cb 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1k2s h ALA 449 CO -0.18 0.38 0.28 1.15 0.00 0.00 0.00 179.25 180.87 1k2s h THR 450 N 0.38 1.21 -6.87 0.00 2.02 -1.08 -0.62 112.91 107.94 1k2s h THR 450 Ca 0.05 -0.58 -0.57 0.00 0.77 0.00 0.00 66.41 66.07 1k2s h THR 450 Cb 0.79 0.53 -0.19 0.00 -1.74 0.00 0.00 68.15 67.54 1k2s h THR 450 CO 0.06 0.24 -0.91 -3.20 0.37 0.00 0.00 175.52 172.07 1k2s n ASN 451 N -4.54 -0.52 -2.95 4.18 4.05 -0.79 -1.44 115.26 113.25 1k2s n ASN 451 Ca 0.03 -1.15 -0.22 0.00 0.45 0.00 0.00 54.58 53.69 1k2s n ASN 451 Cb 0.12 -2.22 0.03 0.00 1.23 0.00 0.00 39.78 38.94 1k2s n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1k2s n LYS 452 N -4.42 -4.42 0.00 1.20 5.02 -1.26 -2.38 118.16 111.90 1k2s n LYS 452 Ca -0.19 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1k2s n LYS 452 Cb 0.63 -5.74 0.00 0.00 -0.02 0.00 0.00 35.03 29.89 1k2s n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k2s n GLY 453 N -1.44 2.50 3.41 0.72 0.00 -0.52 -4.96 105.19 104.90 1k2s n GLY 453 Ca -0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.44 1k2s n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k2s s ASN 454 N 0.54 6.84 0.59 1.61 3.04 -1.00 -0.55 114.94 126.01 1k2s s ASN 454 Ca 0.00 -2.60 -0.20 0.00 0.04 0.00 0.00 52.86 50.11 1k2s s ASN 454 Cb 0.00 -2.33 -0.03 0.00 -1.54 0.00 0.00 41.25 37.35 1k2s s ASN 454 CO 0.00 -0.78 1.32 -0.76 -3.04 0.00 0.00 177.10 173.84 1k2s s LEU 455 N 1.36 3.72 -0.02 3.21 1.43 -1.24 -4.35 118.68 122.79 1k2s s LEU 455 Ca 0.31 2.69 0.02 0.00 -1.03 0.00 0.00 54.13 56.12 1k2s s LEU 455 Cb -0.06 -4.44 0.01 0.00 0.03 0.00 0.00 46.19 41.73 1k2s s LEU 455 CO -0.07 -1.77 -0.07 -0.13 0.23 0.00 0.00 176.35 174.55 1k2s s ARG 456 N -3.13 0.76 0.40 1.70 0.52 -0.24 -5.02 118.95 113.94 1k2s s ARG 456 Ca 0.77 -0.21 -0.25 0.00 -0.52 0.00 0.00 55.73 55.52 1k2s s ARG 456 Cb -0.39 -0.74 -0.08 0.00 0.52 0.00 0.00 34.95 34.26 1k2s s ARG 456 CO 0.44 0.06 1.16 -1.12 0.02 0.00 0.00 175.30 175.85 1k2s s SER 457 N 0.31 6.53 0.28 0.23 0.01 -1.26 -4.41 113.70 115.40 1k2s s SER 457 Ca -0.04 2.31 -0.21 0.00 1.31 0.00 0.00 55.95 59.32 1k2s s SER 457 Cb -0.09 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.56 1k2s s SER 457 CO 0.00 -0.66 0.76 0.00 0.41 0.00 0.00 173.24 173.75 1k2s s ALA 458 N -1.44 -1.22 -0.28 1.44 0.00 -0.21 -2.36 121.76 117.68 1k2s s ALA 458 Ca 0.57 -0.31 -0.17 0.00 0.00 0.00 0.00 51.96 52.05 1k2s s ALA 458 Cb -0.30 0.81 0.09 0.00 0.00 0.00 0.00 23.12 23.72 1k2s s ALA 458 CO 0.37 -1.04 0.72 -1.50 0.00 0.00 0.00 175.76 174.32 1k2s s ILE 459 N -3.66 0.00 -0.16 0.00 2.07 -0.52 -0.52 121.20 118.40 1k2s s ILE 459 Ca 0.12 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.32 1k2s s ILE 459 Cb -0.05 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.51 1k2s s ILE 459 CO 0.07 0.00 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.16 1k2s s THR 460 N 1.45 3.70 -0.24 4.00 2.01 -0.28 -0.73 115.64 125.56 1k2s s THR 460 Ca -0.09 -0.42 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 1k2s s THR 460 Cb -0.05 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.82 1k2s s THR 460 CO -0.17 0.48 0.01 -0.63 -0.69 0.00 0.00 174.62 173.62 1k2s s ILE 461 N 0.57 3.76 0.58 1.82 1.01 -0.34 -3.11 121.20 125.50 1k2s s ILE 461 Ca -0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 1k2s s ILE 461 Cb -0.15 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.61 1k2s s ILE 461 CO 0.03 0.36 0.82 -0.36 0.00 0.00 0.00 174.94 175.79 1k2s s PHE 462 N 1.53 2.84 0.13 3.97 0.08 -0.78 0.02 117.98 125.78 1k2s s PHE 462 Ca 0.06 0.06 -0.33 0.00 0.12 0.00 0.00 56.93 56.84 1k2s s PHE 462 Cb -0.15 -2.84 -0.18 0.00 -0.57 0.00 0.00 43.02 39.28 1k2s s PHE 462 CO -0.00 -0.99 0.84 -2.30 -0.10 0.00 0.00 175.22 172.66 1k2s n PRO 463 N -2.46 0.27 -1.84 0.24 -0.02 -1.25 -4.68 135.00 125.25 1k2s n PRO 463 Ca 0.08 0.09 -0.32 0.00 -2.02 0.00 0.00 63.50 61.33 1k2s n PRO 463 Cb 0.60 -1.36 0.03 0.00 -0.02 0.00 0.00 33.50 32.75 1k2s n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1k2s s GLN 464 N -0.59 3.03 0.67 -0.52 -2.07 -1.26 -4.66 119.66 114.26 1k2s s GLN 464 Ca 0.74 1.24 -0.17 0.00 -1.82 0.00 0.00 55.36 55.35 1k2s s GLN 464 Cb -1.02 -1.99 0.00 0.00 -1.09 0.00 0.00 33.01 28.91 1k2s s GLN 464 CO 0.56 -1.05 1.24 0.50 -1.32 0.00 0.00 175.29 175.22 1k2s s ARG 465 N -4.24 2.49 0.09 9.60 3.52 0.25 -4.97 118.95 125.68 1k2s s ARG 465 Ca 0.64 1.88 0.00 0.00 -0.13 0.00 0.00 55.73 58.12 1k2s s ARG 465 Cb -0.17 -1.86 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 1k2s s ARG 465 CO 0.42 -1.59 0.00 0.25 -0.81 0.00 0.00 175.30 173.56 1k2s n THR 466 N -2.15 0.51 -0.19 4.11 -2.24 -1.26 -4.77 114.28 108.28 1k2s n THR 466 Ca 0.14 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1k2s n THR 466 Cb 0.49 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1k2s n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k2s n ASP 467 N -3.06 1.35 0.00 3.42 5.75 -1.26 -5.00 116.55 117.75 1k2s n ASP 467 Ca 0.00 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1k2s n ASP 467 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1k2s n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k2s n GLY 468 N -0.27 1.48 0.43 6.12 0.00 -1.26 -4.71 105.19 106.98 1k2s n GLY 468 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1k2s n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k2s n LYS 469 N -2.00 1.07 -1.66 1.61 5.02 -1.26 -4.16 118.16 116.78 1k2s n LYS 469 Ca 0.00 -0.87 -0.12 0.00 -2.02 0.00 0.00 58.31 55.30 1k2s n LYS 469 Cb 0.00 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 33.61 1k2s n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1k2s n HIS 470 N -0.21 1.67 -2.24 2.13 8.25 -1.26 -4.38 115.22 119.18 1k2s n HIS 470 Ca 0.09 -1.92 -0.41 0.00 -0.26 0.00 0.00 57.72 55.22 1k2s n HIS 470 Cb 0.45 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.23 1k2s n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k2s s ASP 471 N -3.44 6.94 -0.18 0.41 1.11 -1.26 -3.41 116.67 116.84 1k2s s ASP 471 Ca 0.44 2.48 -0.16 0.00 0.18 0.00 0.00 52.55 55.50 1k2s s ASP 471 Cb 0.39 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.71 1k2s s ASP 471 CO -0.01 -0.44 0.39 -0.36 1.18 0.00 0.00 175.17 175.93 1k2s s PHE 472 N -0.68 3.41 0.02 4.23 0.40 -1.26 -1.80 117.98 122.30 1k2s s PHE 472 Ca 0.51 0.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 1k2s s PHE 472 Cb -0.37 -2.49 -0.02 0.00 0.51 0.00 0.00 43.02 40.65 1k2s s PHE 472 CO 0.45 0.06 -0.04 1.03 0.70 0.00 0.00 175.22 177.42 1k2s s ARG 473 N 1.05 0.34 -0.29 0.44 1.81 -0.47 -3.01 118.95 118.82 1k2s s ARG 473 Ca 0.19 -0.63 -0.01 0.00 -1.72 0.00 0.00 55.73 53.57 1k2s s ARG 473 Cb -0.14 0.05 0.05 0.00 -0.45 0.00 0.00 34.95 34.46 1k2s s ARG 473 CO 0.07 -0.04 -0.02 0.08 -0.68 0.00 0.00 175.30 174.72 1k2s s VAL 474 N -1.44 2.83 0.26 3.52 1.01 -1.26 -0.50 120.40 124.83 1k2s s VAL 474 Ca -0.15 -1.42 0.33 0.00 0.00 0.00 0.00 61.98 60.74 1k2s s VAL 474 Cb -0.10 -2.63 0.36 0.00 0.00 0.00 0.00 36.38 34.01 1k2s s VAL 474 CO -0.01 -0.09 2.05 -0.50 0.00 0.00 0.00 175.10 176.56 1k2s h TRP 475 N 7.96 0.00 -4.30 5.22 4.06 -1.67 -3.41 115.95 123.80 1k2s h TRP 475 Ca -0.21 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.23 1k2s h TRP 475 Cb 1.06 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.33 1k2s h TRP 475 CO 0.62 0.05 0.35 -0.80 -3.56 0.00 0.00 178.44 175.10 1k2s s ASN 476 N -5.75 5.02 0.03 -3.49 -0.87 -1.26 -4.93 114.94 103.69 1k2s s ASN 476 Ca -0.01 1.76 0.12 0.00 -1.57 0.00 0.00 52.86 53.16 1k2s s ASN 476 Cb 0.11 -2.51 -0.20 0.00 -0.02 0.00 0.00 41.25 38.62 1k2s s ASN 476 CO 0.54 -1.69 0.88 0.77 -2.57 0.00 0.00 177.10 175.04 1k2s h SER 477 N -0.72 0.00 -4.96 -1.22 4.64 -1.92 -3.33 113.55 106.04 1k2s h SER 477 Ca -0.44 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.70 1k2s h SER 477 Cb 1.22 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.11 1k2s h SER 477 CO 0.54 0.92 -0.70 -1.10 -0.87 0.00 0.00 176.83 175.62 1k2s s GLN 478 N -2.69 0.38 0.39 4.77 -0.21 -1.26 0.47 119.66 121.52 1k2s s GLN 478 Ca -0.03 -0.71 0.06 0.00 0.02 0.00 0.00 55.36 54.71 1k2s s GLN 478 Cb 0.09 0.05 0.79 0.00 1.00 0.00 0.00 33.01 34.94 1k2s s GLN 478 CO 0.82 -0.04 2.03 -0.07 -2.12 0.00 0.00 175.29 175.91 1k2s h LEU 479 N 4.45 0.51 -7.95 2.90 3.38 -1.57 -3.40 115.31 113.62 1k2s h LEU 479 Ca -0.33 -0.02 -0.58 0.00 0.09 0.00 0.00 57.88 57.03 1k2s h LEU 479 Cb 1.20 -0.13 -0.35 0.00 0.09 0.00 0.00 40.66 41.47 1k2s h LEU 479 CO 0.44 0.40 -0.83 -0.63 0.09 0.00 0.00 178.44 177.90 1k2s s ILE 480 N -5.45 1.48 -0.08 1.22 1.01 -1.26 -4.87 121.20 113.24 1k2s s ILE 480 Ca -0.08 -0.61 -0.31 0.00 0.00 0.00 0.00 60.65 59.65 1k2s s ILE 480 Cb 0.17 -1.37 0.09 0.00 0.01 0.00 0.00 42.46 41.36 1k2s s ILE 480 CO 0.74 0.44 0.77 -0.13 0.00 0.00 0.00 174.94 176.76 1k2s s ARG 481 N 1.19 0.93 0.22 2.79 0.52 -1.26 -4.85 118.95 118.49 1k2s s ARG 481 Ca -0.02 0.24 -0.26 0.00 -0.52 0.00 0.00 55.73 55.16 1k2s s ARG 481 Cb -0.14 0.44 -0.09 0.00 0.52 0.00 0.00 34.95 35.68 1k2s s ARG 481 CO -0.05 -0.29 0.85 0.71 0.02 0.00 0.00 175.30 176.55 1k2s s TYR 482 N -1.14 3.87 0.55 -0.53 4.12 -1.26 -0.78 117.35 122.19 1k2s s TYR 482 Ca -0.08 1.72 -0.19 0.00 0.02 0.00 0.00 57.07 58.54 1k2s s TYR 482 Cb -0.00 -2.84 -0.05 0.00 -1.52 0.00 0.00 41.96 37.54 1k2s s TYR 482 CO 0.08 0.43 1.13 0.00 0.02 0.00 0.00 175.55 177.20 1k2s s ALA 483 N -1.27 2.68 -0.15 3.71 0.00 0.18 -4.41 121.76 122.48 1k2s s ALA 483 Ca 0.40 0.81 0.02 0.00 0.00 0.00 0.00 51.96 53.19 1k2s s ALA 483 Cb -0.23 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1k2s s ALA 483 CO 0.27 -0.81 -0.21 0.20 0.00 0.00 0.00 175.76 175.21 1k2s s GLY 484 N -1.83 1.38 -0.13 0.00 0.00 -1.25 -2.31 107.32 103.17 1k2s s GLY 484 Ca 0.72 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1k2s s GLY 484 CO 0.28 0.08 -0.20 -0.19 0.00 0.00 0.00 173.10 173.07 1k2s s TYR 485 N 0.97 2.69 -0.30 1.90 1.51 0.84 -4.12 117.35 120.83 1k2s s TYR 485 Ca -0.03 -1.13 -0.16 0.00 -1.01 0.00 0.00 57.07 54.75 1k2s s TYR 485 Cb -0.15 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.86 1k2s s TYR 485 CO -0.05 -0.49 0.40 0.21 -1.11 0.00 0.00 175.55 174.51 1k2s s LYS 486 N 0.66 3.84 0.55 -0.62 2.20 -1.26 0.11 119.74 125.23 1k2s s LYS 486 Ca -0.10 -0.08 -0.06 0.00 -0.36 0.00 0.00 55.97 55.37 1k2s s LYS 486 Cb -0.16 -3.72 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1k2s s LYS 486 CO 0.02 -0.40 0.87 -0.65 -0.36 0.00 0.00 175.35 174.82 1k2s s GLN 487 N 2.13 3.21 0.50 4.03 -0.21 -1.11 -4.95 119.66 123.26 1k2s s GLN 487 Ca 0.15 0.14 0.23 0.00 0.02 0.00 0.00 55.36 55.91 1k2s s GLN 487 Cb -0.16 -2.29 1.31 0.00 1.00 0.00 0.00 33.01 32.87 1k2s s GLN 487 CO 0.11 -0.51 2.04 -1.00 -2.12 0.00 0.00 175.29 173.82 1k2s h PRO 488 N -0.04 0.00 -0.53 2.91 0.13 -1.98 -0.92 132.00 131.57 1k2s h PRO 488 Ca -0.46 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.83 1k2s h PRO 488 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1k2s h PRO 488 CO 0.61 0.14 0.49 0.22 -0.23 0.00 0.00 178.00 179.23 1k2s h ASP 489 N 0.00 0.00 0.00 1.44 1.82 -2.03 -3.45 116.42 114.20 1k2s h ASP 489 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1k2s h ASP 489 Cb 0.34 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.35 1k2s h ASP 489 CO 0.02 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.26 1k2s n GLY 490 N -1.56 2.28 0.00 -0.78 0.00 -0.35 -5.06 105.19 99.73 1k2s n GLY 490 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1k2s n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2s n SER 491 N 0.13 -1.03 -3.73 1.61 3.41 -1.26 -4.78 113.62 107.97 1k2s n SER 491 Ca 0.00 -0.32 -0.14 0.00 -0.26 0.00 0.00 58.87 58.15 1k2s n SER 491 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1k2s n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1k2s s THR 492 N -0.84 -0.09 -0.15 6.66 2.01 -1.26 -2.76 115.64 119.20 1k2s s THR 492 Ca 0.00 0.21 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 1k2s s THR 492 Cb 0.00 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1k2s s THR 492 CO 0.00 0.08 0.14 -0.22 -0.69 0.00 0.00 174.62 173.93 1k2s s LEU 493 N 1.40 4.31 0.00 4.42 2.96 0.29 -4.90 118.68 127.17 1k2s s LEU 493 Ca -0.07 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 1k2s s LEU 493 Cb -0.11 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1k2s s LEU 493 CO -0.06 0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.89 1k2s n GLY 494 N 2.64 0.58 3.38 7.98 0.00 -1.26 -0.11 105.19 118.40 1k2s n GLY 494 Ca -0.18 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1k2s n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2s s ASP 495 N -4.00 5.93 0.32 1.61 -1.08 -0.98 -4.73 116.67 113.75 1k2s s ASP 495 Ca 0.00 -1.19 0.07 0.00 -0.52 0.00 0.00 52.55 50.91 1k2s s ASP 495 Cb 0.00 -2.10 0.74 0.00 -1.46 0.00 0.00 42.92 40.10 1k2s s ASP 495 CO 0.00 -0.52 1.82 -0.65 0.52 0.00 0.00 175.17 176.35 1k2s h PRO 496 N 8.58 0.76 -0.05 4.34 0.11 -1.81 -1.41 132.00 142.51 1k2s h PRO 496 Ca -0.26 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.82 1k2s h PRO 496 Cb 1.10 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1k2s h PRO 496 CO 0.77 0.50 0.18 0.00 -0.21 0.00 0.00 178.00 179.23 1k2s h ALA 497 N 1.60 1.33 -0.13 -0.75 0.00 -1.93 -2.06 119.26 117.31 1k2s h ALA 497 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1k2s h ALA 497 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1k2s h ALA 497 CO -0.29 -0.20 0.00 0.09 0.00 0.00 0.00 179.25 178.85 1k2s n ASN 498 N -3.19 2.23 -0.36 0.00 3.02 -0.54 -4.77 115.26 111.65 1k2s n ASN 498 Ca -0.01 -1.65 0.03 0.00 -0.03 0.00 0.00 54.58 52.91 1k2s n ASN 498 Cb 0.25 -0.08 0.10 0.00 -0.61 0.00 0.00 39.78 39.44 1k2s n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1k2s h VAL 499 N 1.85 0.01 0.64 2.41 2.07 -1.34 0.23 116.25 122.12 1k2s h VAL 499 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1k2s h VAL 499 Cb 0.53 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1k2s h VAL 499 CO 0.00 0.00 -0.31 -0.61 0.02 0.00 0.00 177.57 176.67 1k2s h GLN 500 N -0.00 -0.83 -0.48 1.57 4.15 -1.85 -2.32 115.11 115.35 1k2s h GLN 500 Ca 0.43 0.06 0.09 0.00 0.77 0.00 0.00 58.65 60.00 1k2s h GLN 500 Cb 0.68 0.19 -0.08 0.00 0.21 0.00 0.00 27.48 28.47 1k2s h GLN 500 CO -1.00 -0.53 -0.02 0.35 -1.93 0.00 0.00 178.83 175.69 1k2s h PHE 501 N -0.93 -0.07 -0.83 3.99 3.57 -1.64 0.10 116.94 121.14 1k2s h PHE 501 Ca -0.09 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.56 1k2s h PHE 501 Cb 0.68 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.47 1k2s h PHE 501 CO -0.02 -0.12 0.54 1.15 -2.23 0.00 0.00 178.31 177.63 1k2s h THR 502 N 0.09 0.90 -0.28 4.41 2.02 -0.96 0.11 112.91 119.20 1k2s h THR 502 Ca 0.24 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1k2s h THR 502 Cb 0.36 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1k2s h THR 502 CO -0.41 0.13 0.12 -0.33 0.37 0.00 0.00 175.52 175.39 1k2s h GLU 503 N 0.70 0.42 0.00 6.66 5.08 -0.25 -2.03 114.58 125.16 1k2s h GLU 503 Ca 0.40 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1k2s h GLU 503 Cb 0.57 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1k2s h GLU 503 CO -0.16 0.43 -0.05 0.82 -1.00 0.00 0.00 179.01 179.04 1k2s h ILE 504 N 0.31 0.41 0.04 3.13 2.04 -0.15 0.12 117.51 123.41 1k2s h ILE 504 Ca 0.09 -0.26 -0.17 0.00 1.00 0.00 0.00 64.86 65.52 1k2s h ILE 504 Cb 0.16 1.18 0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1k2s h ILE 504 CO -0.01 0.05 -0.68 0.00 0.00 0.00 0.00 178.15 177.51 1k2s h ILE 506 N -0.16 1.14 -0.02 0.00 2.04 -0.78 0.15 117.51 119.88 1k2s h ILE 506 Ca -0.10 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1k2s h ILE 506 Cb 1.43 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1k2s h ILE 506 CO 0.13 0.13 0.04 -0.61 0.00 0.00 0.00 178.15 177.84 1k2s h GLN 507 N 0.17 0.00 -0.01 2.37 4.15 -0.84 0.23 115.11 121.18 1k2s h GLN 507 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1k2s h GLN 507 Cb 0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1k2s h GLN 507 CO -0.01 0.00 -0.41 0.94 -1.93 0.00 0.00 178.83 177.43 1k2s n GLN 508 N -3.43 1.10 0.00 1.69 -0.06 -0.83 -4.96 117.38 110.90 1k2s n GLN 508 Ca -0.03 -0.85 0.00 0.00 -2.00 0.00 0.00 57.00 54.13 1k2s n GLN 508 Cb 0.11 -1.48 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 1k2s n GLN 508 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1k2s n GLY 509 N 1.39 0.92 3.49 1.69 0.00 0.07 -4.99 105.19 107.77 1k2s n GLY 509 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1k2s n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1k2s n TRP 510 N 0.00 0.00 -3.66 1.61 -0.00 0.46 -4.91 117.44 110.95 1k2s n TRP 510 Ca 0.00 0.64 -0.38 0.00 -0.00 0.00 0.00 57.50 57.75 1k2s n TRP 510 Cb 0.00 -2.06 -0.09 0.00 -0.00 0.00 0.00 31.31 29.16 1k2s n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1k2s s LYS 511 N -1.60 2.52 0.00 5.87 1.02 -1.26 -4.26 119.74 122.03 1k2s s LYS 511 Ca 0.63 -2.19 -0.30 0.00 0.02 0.00 0.00 55.97 54.13 1k2s s LYS 511 Cb -0.63 -3.81 -0.07 0.00 -0.52 0.00 0.00 37.83 32.79 1k2s s LYS 511 CO 0.58 -1.17 1.80 0.00 -0.92 0.00 0.00 175.35 175.64 1k2s s ALA 512 N 0.56 3.61 -2.00 5.17 0.00 -1.26 -4.88 121.76 122.96 1k2s s ALA 512 Ca 0.12 1.15 0.15 0.00 0.00 0.00 0.00 51.96 53.38 1k2s s ALA 512 Cb -0.21 -3.79 0.88 0.00 0.00 0.00 0.00 23.12 20.00 1k2s s ALA 512 CO -0.04 -1.44 1.30 -2.30 0.00 0.00 0.00 175.76 173.28 1k2s n PRO 513 N 7.12 0.54 -4.04 0.00 -0.02 -1.26 -4.88 135.00 132.47 1k2s n PRO 513 Ca 0.18 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.33 1k2s n PRO 513 Cb 0.42 -1.42 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 1k2s n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k2s n ARG 514 N -0.92 -0.62 -3.94 -0.52 1.74 -1.26 -4.95 116.66 106.18 1k2s n ARG 514 Ca 0.11 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 1k2s n ARG 514 Cb 0.05 -2.44 -0.01 0.00 -1.02 0.00 0.00 32.46 29.04 1k2s n ARG 514 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1k2s s GLY 515 N -3.96 2.42 0.06 -0.13 0.00 -1.26 -5.06 107.32 99.40 1k2s s GLY 515 Ca 0.22 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 43.67 1k2s s GLY 515 CO 0.84 -1.97 1.09 -0.09 0.00 0.00 0.00 173.10 172.97 1k2s h ARG 516 N 0.76 0.49 -2.19 2.90 2.43 -1.92 -3.39 114.38 113.45 1k2s h ARG 516 Ca -0.37 -0.76 -0.59 0.00 -0.81 0.00 0.00 59.98 57.45 1k2s h ARG 516 Cb 1.31 0.27 -0.42 0.00 -0.42 0.00 0.00 29.97 30.71 1k2s h ARG 516 CO 0.58 1.35 -0.65 1.19 -1.51 0.00 0.00 179.97 180.93 1k2s n PHE 517 N -3.70 3.41 -3.37 2.20 3.01 -1.26 -3.98 117.46 113.77 1k2s n PHE 517 Ca -0.13 -4.08 -0.39 0.00 1.01 0.00 0.00 57.45 53.86 1k2s n PHE 517 Cb 1.03 -0.53 -0.08 0.00 -0.01 0.00 0.00 39.48 39.90 1k2s n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k2s s ASP 518 N -2.61 6.39 -0.54 4.37 1.01 -1.26 -4.93 116.67 119.10 1k2s s ASP 518 Ca 0.42 0.45 -0.27 0.00 0.71 0.00 0.00 52.55 53.86 1k2s s ASP 518 Cb 0.18 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 1k2s s ASP 518 CO -0.05 -0.13 1.69 -0.69 0.21 0.00 0.00 175.17 176.20 1k2s s VAL 519 N 1.64 3.53 0.99 -1.27 1.01 -1.26 0.47 120.40 125.51 1k2s s VAL 519 Ca 0.18 0.42 -0.16 0.00 0.00 0.00 0.00 61.98 62.42 1k2s s VAL 519 Cb -0.15 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1k2s s VAL 519 CO 0.09 -0.91 -0.09 0.18 0.00 0.00 0.00 175.10 174.37 1k2s n LEU 520 N 11.13 -2.19 -4.91 3.92 4.77 0.04 -4.92 117.00 124.85 1k2s n LEU 520 Ca 0.18 0.20 -0.29 0.00 -0.03 0.00 0.00 56.01 56.07 1k2s n LEU 520 Cb 0.50 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 1k2s n LEU 520 CO 0.70 -4.07 0.08 -2.16 -1.33 0.00 0.00 177.39 170.61 1k2s s PRO 521 N -3.09 3.58 0.31 3.23 0.04 -1.26 -4.78 135.00 133.03 1k2s s PRO 521 Ca 0.51 -0.17 -0.27 0.00 0.04 0.00 0.00 61.00 61.11 1k2s s PRO 521 Cb -0.17 -2.78 -0.10 0.00 0.04 0.00 0.00 34.50 31.49 1k2s s PRO 521 CO 0.71 0.36 0.98 -0.51 0.04 0.00 0.00 177.00 178.58 1k2s s LEU 522 N -3.22 4.40 -0.40 -3.56 1.43 -0.20 -4.87 118.68 112.27 1k2s s LEU 522 Ca 0.41 1.94 0.03 0.00 -1.03 0.00 0.00 54.13 55.47 1k2s s LEU 522 Cb -0.11 -3.91 0.11 0.00 0.03 0.00 0.00 46.19 42.31 1k2s s LEU 522 CO 0.28 -0.09 0.14 -0.22 0.23 0.00 0.00 176.35 176.69 1k2s s LEU 523 N -1.89 3.87 -0.15 1.79 0.20 -1.26 -1.65 118.68 119.60 1k2s s LEU 523 Ca 0.49 -2.35 -0.07 0.00 0.69 0.00 0.00 54.13 52.88 1k2s s LEU 523 Cb -0.22 -1.40 -0.04 0.00 -0.43 0.00 0.00 46.19 44.10 1k2s s LEU 523 CO 0.28 -0.33 0.10 -0.76 -0.29 0.00 0.00 176.35 175.35 1k2s s LEU 524 N 0.64 4.09 -0.16 -0.68 1.43 0.01 -1.67 118.68 122.34 1k2s s LEU 524 Ca 0.13 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.50 1k2s s LEU 524 Cb -0.21 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 1k2s s LEU 524 CO -0.08 0.29 -0.13 -1.58 0.23 0.00 0.00 176.35 175.08 1k2s s GLN 525 N -0.34 3.27 0.03 1.70 0.74 0.35 -0.53 119.66 124.88 1k2s s GLN 525 Ca 0.10 -0.72 0.08 0.00 0.05 0.00 0.00 55.36 54.87 1k2s s GLN 525 Cb -0.12 -2.69 -0.02 0.00 1.10 0.00 0.00 33.01 31.28 1k2s s GLN 525 CO 0.01 0.01 -0.24 0.00 -0.55 0.00 0.00 175.29 174.52 1k2s s ALA 526 N 0.86 2.05 -0.62 1.58 0.00 -1.26 -1.37 121.76 123.00 1k2s s ALA 526 Ca -0.04 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1k2s s ALA 526 Cb -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1k2s s ALA 526 CO -0.00 0.48 0.00 -1.71 0.00 0.00 0.00 175.76 174.53 1k2s n ASN 527 N 2.00 -2.19 0.00 0.00 2.85 -1.26 -0.34 115.26 116.33 1k2s n ASN 527 Ca -0.17 0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1k2s n ASN 527 Cb 0.52 -2.07 0.00 0.00 1.24 0.00 0.00 39.78 39.47 1k2s n ASN 527 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k2s n GLY 528 N -0.43 1.02 3.90 8.20 0.00 -0.75 -4.34 105.19 112.80 1k2s n GLY 528 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1k2s n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k2s s ASN 529 N -3.05 4.33 0.43 1.61 0.01 0.54 -4.86 114.94 113.95 1k2s s ASN 529 Ca 0.00 0.72 -0.25 0.00 -0.71 0.00 0.00 52.86 52.62 1k2s s ASN 529 Cb 0.00 -1.16 -0.09 0.00 0.41 0.00 0.00 41.25 40.41 1k2s s ASN 529 CO 0.00 -2.01 1.30 0.47 -1.51 0.00 0.00 177.10 175.34 1k2s n ASP 530 N -3.38 2.66 -4.78 -1.22 9.92 -1.26 -4.20 116.55 114.30 1k2s n ASP 530 Ca 0.09 1.11 -0.36 0.00 -0.53 0.00 0.00 54.79 55.10 1k2s n ASP 530 Cb 0.61 -1.52 -0.01 0.00 -0.64 0.00 0.00 41.12 39.56 1k2s n ASP 530 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1k2s s PRO 531 N -2.26 3.61 0.21 -0.24 0.04 -1.26 -4.67 135.00 130.43 1k2s s PRO 531 Ca 0.61 1.65 0.11 0.00 0.04 0.00 0.00 61.00 63.41 1k2s s PRO 531 Cb -0.50 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 1k2s s PRO 531 CO 0.58 -0.65 -0.20 -1.21 0.04 0.00 0.00 177.00 175.56 1k2s s GLU 532 N -3.00 1.67 0.06 4.56 2.02 0.31 -4.86 118.70 119.46 1k2s s GLU 532 Ca 0.68 -1.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.12 1k2s s GLU 532 Cb -0.25 -1.89 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 1k2s s GLU 532 CO 0.29 0.39 0.23 -0.51 0.02 0.00 0.00 175.26 175.69 1k2s s LEU 533 N -2.91 4.35 -0.05 1.80 1.43 -1.26 -0.81 118.68 121.23 1k2s s LEU 533 Ca 0.24 0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 53.50 1k2s s LEU 533 Cb -0.07 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.21 1k2s s LEU 533 CO 0.12 0.16 0.38 -0.36 0.23 0.00 0.00 176.35 176.88 1k2s s PHE 534 N -1.51 -0.30 -0.23 0.29 0.40 -0.66 -4.98 117.98 110.99 1k2s s PHE 534 Ca 0.35 0.54 -0.08 0.00 -0.60 0.00 0.00 56.93 57.15 1k2s s PHE 534 Cb -0.13 0.15 -0.03 0.00 0.51 0.00 0.00 43.02 43.52 1k2s s PHE 534 CO 0.26 -0.39 0.08 -1.14 0.70 0.00 0.00 175.22 174.74 1k2s s GLN 535 N -1.01 3.78 0.34 0.44 0.74 -1.26 -1.03 119.66 121.65 1k2s s GLN 535 Ca -0.11 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.59 1k2s s GLN 535 Cb -0.04 -3.32 -0.11 0.00 1.10 0.00 0.00 33.01 30.63 1k2s s GLN 535 CO 0.04 -0.05 1.53 0.42 -0.55 0.00 0.00 175.29 176.68 1k2s s ILE 536 N 1.26 2.07 -0.19 -2.34 1.01 -1.26 -4.79 121.20 116.95 1k2s s ILE 536 Ca 0.05 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 1k2s s ILE 536 Cb -0.14 -3.04 -0.07 0.00 0.01 0.00 0.00 42.46 39.21 1k2s s ILE 536 CO 0.04 0.01 2.16 -2.65 0.00 0.00 0.00 174.94 174.50 1k2s n PRO 537 N 1.21 1.96 -0.44 2.79 -0.02 -1.26 -4.78 135.00 134.46 1k2s n PRO 537 Ca 0.04 0.59 0.39 0.00 -2.02 0.00 0.00 63.50 62.50 1k2s n PRO 537 Cb 0.38 -3.03 0.66 0.00 -0.02 0.00 0.00 33.50 31.50 1k2s n PRO 537 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1k2s n PRO 538 N 8.32 -0.04 0.00 0.52 -0.02 -1.26 0.19 135.00 142.71 1k2s n PRO 538 Ca 0.30 1.29 0.09 0.00 -2.02 0.00 0.00 63.50 63.16 1k2s n PRO 538 Cb 0.39 -2.49 0.51 0.00 -0.02 0.00 0.00 33.50 31.90 1k2s n PRO 538 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1k2s n GLU 539 N -4.85 0.42 0.00 -0.52 0.00 -1.26 -2.07 120.64 112.36 1k2s n GLU 539 Ca 0.40 0.06 0.08 0.00 0.00 0.00 0.00 57.16 57.70 1k2s n GLU 539 Cb 1.52 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 31.40 1k2s n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1k2s n LEU 540 N -1.15 1.20 -4.29 -1.84 4.32 0.51 -4.81 117.00 110.95 1k2s n LEU 540 Ca 0.11 -0.62 -0.45 0.00 -0.02 0.00 0.00 56.01 55.03 1k2s n LEU 540 Cb 0.11 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.87 1k2s n LEU 540 CO 0.12 0.25 0.35 -0.69 -1.22 0.00 0.00 177.39 176.20 1k2s s VAL 541 N -2.30 5.25 -0.04 4.08 1.01 -0.88 -4.80 120.40 122.72 1k2s s VAL 541 Ca 0.10 -2.53 -0.30 0.00 0.00 0.00 0.00 61.98 59.25 1k2s s VAL 541 Cb 0.13 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1k2s s VAL 541 CO 0.56 -1.00 1.33 -0.22 0.00 0.00 0.00 175.10 175.78 1k2s s LEU 542 N 0.17 4.29 0.08 3.92 2.96 -1.26 -5.02 118.68 123.82 1k2s s LEU 542 Ca 0.17 1.97 0.08 0.00 -0.22 0.00 0.00 54.13 56.13 1k2s s LEU 542 Cb -0.13 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1k2s s LEU 542 CO -0.07 -0.68 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.45 1k2s s GLU 543 N 2.51 1.20 -0.18 1.98 2.02 -1.26 -1.95 118.70 123.02 1k2s s GLU 543 Ca 0.61 -1.08 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 1k2s s GLU 543 Cb -0.28 -1.41 0.00 0.00 0.10 0.00 0.00 34.13 32.54 1k2s s GLU 543 CO 0.24 0.34 -0.14 0.08 0.02 0.00 0.00 175.26 175.80 1k2s s VAL 544 N -1.04 2.66 -0.06 2.63 1.01 0.49 -4.94 120.40 121.16 1k2s s VAL 544 Ca 0.07 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1k2s s VAL 544 Cb -0.10 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1k2s s VAL 544 CO 0.03 0.50 1.02 -2.16 0.00 0.00 0.00 175.10 174.49 1k2s s PRO 545 N 1.11 4.46 -0.29 2.72 0.04 -1.26 -1.68 135.00 140.09 1k2s s PRO 545 Ca 0.00 1.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.21 1k2s s PRO 545 Cb -0.14 -3.51 0.01 0.00 0.04 0.00 0.00 34.50 30.90 1k2s s PRO 545 CO -0.05 -0.24 0.98 0.42 0.04 0.00 0.00 177.00 178.15 1k2s s ILE 546 N 1.69 4.64 0.04 0.56 -1.09 0.18 -4.83 121.20 122.38 1k2s s ILE 546 Ca 0.50 1.64 0.03 0.00 -2.23 0.00 0.00 60.65 60.59 1k2s s ILE 546 Cb -0.20 -4.31 -0.02 0.00 -1.58 0.00 0.00 42.46 36.35 1k2s s ILE 546 CO 0.22 -0.34 -0.09 0.00 -1.23 0.00 0.00 174.94 173.50 1k2s s ARG 547 N 3.33 0.61 0.17 2.79 3.03 -1.26 -4.26 118.95 123.36 1k2s s ARG 547 Ca 0.41 -0.67 -0.18 0.00 2.03 0.00 0.00 55.73 57.32 1k2s s ARG 547 Cb -0.13 -0.49 -0.08 0.00 -1.03 0.00 0.00 34.95 33.22 1k2s s ARG 547 CO 0.12 0.11 0.64 -1.58 -1.13 0.00 0.00 175.30 173.47 1k2s s HIS 548 N -1.03 3.68 -1.53 5.89 2.46 -1.26 -4.30 115.29 119.20 1k2s s HIS 548 Ca -0.05 1.28 0.15 0.00 0.47 0.00 0.00 55.06 56.91 1k2s s HIS 548 Cb -0.08 -2.53 0.76 0.00 -0.13 0.00 0.00 32.58 30.61 1k2s s HIS 548 CO 0.01 0.42 1.39 -2.30 -2.47 0.00 0.00 174.74 171.78 1k2s n PRO 549 N 0.97 0.25 0.00 2.88 -0.02 -1.26 -3.80 135.00 134.02 1k2s n PRO 549 Ca -0.05 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1k2s n PRO 549 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1k2s n PRO 549 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1k2s n LYS 550 N -1.24 1.13 -3.58 -0.52 5.02 -1.26 -5.01 118.16 112.71 1k2s n LYS 550 Ca 0.08 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 1k2s n LYS 550 Cb 0.11 -0.09 -0.07 0.00 -0.02 0.00 0.00 35.03 34.95 1k2s n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1k2s s PHE 551 N 0.00 3.52 -1.17 2.13 2.99 -1.25 -4.90 117.98 119.30 1k2s s PHE 551 Ca 0.00 -2.34 0.05 0.00 0.00 0.00 0.00 56.93 54.64 1k2s s PHE 551 Cb 0.00 -3.43 0.23 0.00 0.00 0.00 0.00 43.02 39.81 1k2s s PHE 551 CO 0.00 -0.92 1.10 -3.47 -0.00 0.00 0.00 175.22 171.93 1k2s n ASP 552 N 3.94 0.00 0.08 1.36 -0.08 -1.26 -0.44 116.55 120.14 1k2s n ASP 552 Ca 0.06 0.39 0.12 0.00 -1.51 0.00 0.00 54.79 53.85 1k2s n ASP 552 Cb 0.41 -0.42 0.14 0.00 2.34 0.00 0.00 41.12 43.59 1k2s n ASP 552 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1k2s h TRP 553 N 0.00 0.00 0.04 -0.67 5.08 -1.95 -3.38 115.95 115.07 1k2s h TRP 553 Ca 0.00 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.00 1k2s h TRP 553 Cb 0.07 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.18 1k2s h TRP 553 CO 0.00 0.00 -0.36 0.35 -1.28 0.00 0.00 178.44 177.15 1k2s h PHE 554 N 0.00 -1.01 0.00 0.12 3.57 -1.13 -0.80 116.94 117.69 1k2s h PHE 554 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1k2s h PHE 554 Cb 0.81 0.44 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1k2s h PHE 554 CO 0.00 -0.46 0.56 1.57 -2.23 0.00 0.00 178.31 177.75 1k2s h LYS 555 N -0.55 0.00 -0.00 1.11 2.10 -1.74 0.82 116.57 118.31 1k2s h LYS 555 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1k2s h LYS 555 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1k2s h LYS 555 CO -0.26 0.00 -0.00 -0.25 -2.00 0.00 0.00 179.45 176.93 1k2s n ASP 556 N -2.70 0.19 0.22 7.07 8.00 -0.30 -3.03 116.55 126.01 1k2s n ASP 556 Ca -0.01 -1.03 0.11 0.00 0.71 0.00 0.00 54.79 54.57 1k2s n ASP 556 Cb 0.59 -0.01 0.34 0.00 -0.02 0.00 0.00 41.12 42.02 1k2s n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1k2s h LEU 557 N 0.30 0.00 -1.11 0.64 3.38 0.56 -3.47 115.31 115.60 1k2s h LEU 557 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1k2s h LEU 557 Cb 0.08 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.88 1k2s h LEU 557 CO 0.00 0.13 -0.24 0.61 0.09 0.00 0.00 178.44 179.03 1k2s n GLY 558 N 0.64 0.39 3.60 0.83 0.00 -1.17 -5.04 105.19 104.44 1k2s n GLY 558 Ca 0.02 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1k2s n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2s s LEU 559 N -3.23 3.46 0.10 0.99 1.43 -1.26 -5.04 118.68 115.11 1k2s s LEU 559 Ca 0.17 0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.19 1k2s s LEU 559 Cb -0.07 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1k2s s LEU 559 CO 0.25 0.28 0.24 -1.59 0.23 0.00 0.00 176.35 175.76 1k2s s LYS 560 N -0.30 0.90 0.16 1.70 -2.85 -1.26 0.47 119.74 118.57 1k2s s LYS 560 Ca 0.06 -0.92 -0.10 0.00 -1.00 0.00 0.00 55.97 54.01 1k2s s LYS 560 Cb -0.12 0.37 -0.00 0.00 -2.06 0.00 0.00 37.83 36.01 1k2s s LYS 560 CO 0.02 -0.30 0.31 -0.46 0.10 0.00 0.00 175.35 175.01 1k2s s TRP 561 N -3.85 0.33 0.25 1.78 -0.11 -0.68 -4.93 118.94 111.72 1k2s s TRP 561 Ca 0.05 -0.69 -0.11 0.00 1.22 0.00 0.00 56.10 56.56 1k2s s TRP 561 Cb 0.04 -0.01 -0.08 0.00 -1.50 0.00 0.00 33.47 31.93 1k2s s TRP 561 CO -0.11 -0.73 0.60 1.52 -4.62 0.00 0.00 176.95 173.61 1k2s s TYR 562 N -3.95 3.43 -0.43 5.86 -0.85 -1.26 -0.38 117.35 119.77 1k2s s TYR 562 Ca 0.16 0.98 0.23 0.00 -0.52 0.00 0.00 57.07 57.92 1k2s s TYR 562 Cb 0.03 -2.34 0.20 0.00 0.38 0.00 0.00 41.96 40.23 1k2s s TYR 562 CO -0.01 0.24 1.25 0.78 -1.52 0.00 0.00 175.55 176.29 1k2s h GLY 563 N 2.56 0.00 -7.57 5.49 0.00 -1.75 -3.45 103.07 98.34 1k2s h GLY 563 Ca -0.47 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.15 1k2s h GLY 563 CO 0.68 0.00 -0.51 -2.27 0.00 0.00 0.00 176.54 174.44 1k2s s LEU 564 N -5.04 4.72 -0.22 3.11 2.96 -1.26 -4.56 118.68 118.38 1k2s s LEU 564 Ca 0.03 -0.97 -0.21 0.00 -0.22 0.00 0.00 54.13 52.77 1k2s s LEU 564 Cb 0.10 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1k2s s LEU 564 CO 0.74 -0.38 0.65 -2.16 -1.32 0.00 0.00 176.35 173.88 1k2s s PRO 565 N 1.56 4.17 -0.34 0.98 0.04 -1.26 -4.70 135.00 135.45 1k2s s PRO 565 Ca 0.02 0.62 -0.01 0.00 0.04 0.00 0.00 61.00 61.67 1k2s s PRO 565 Cb -0.19 -3.61 0.13 0.00 0.04 0.00 0.00 34.50 30.86 1k2s s PRO 565 CO 0.07 -0.33 0.18 0.00 0.04 0.00 0.00 177.00 176.96 1k2s s ALA 566 N 2.22 0.95 0.14 8.56 0.00 -1.26 -3.18 121.76 129.19 1k2s s ALA 566 Ca 0.28 -1.68 -0.31 0.00 0.00 0.00 0.00 51.96 50.25 1k2s s ALA 566 Cb -0.16 -1.56 -0.10 0.00 0.00 0.00 0.00 23.12 21.31 1k2s s ALA 566 CO 0.09 -1.95 1.59 0.08 0.00 0.00 0.00 175.76 175.58 1k2s s VAL 567 N 1.35 2.75 0.00 0.00 1.01 -0.78 -1.41 120.40 123.32 1k2s s VAL 567 Ca 0.15 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1k2s s VAL 567 Cb -0.21 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1k2s s VAL 567 CO -0.11 0.02 0.09 -1.54 0.00 0.00 0.00 175.10 173.56 1k2s n SER 568 N 4.47 0.18 -0.88 3.32 3.41 0.18 -1.86 113.62 122.44 1k2s n SER 568 Ca 0.14 -0.51 0.09 0.00 -0.26 0.00 0.00 58.87 58.33 1k2s n SER 568 Cb 0.39 0.45 0.25 0.00 -0.26 0.00 0.00 64.21 65.04 1k2s n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1k2s n ASN 569 N -0.45 2.57 -4.97 4.04 0.23 -1.12 -4.53 115.26 111.03 1k2s n ASN 569 Ca 0.00 -1.94 -0.22 0.00 -0.53 0.00 0.00 54.58 51.89 1k2s n ASN 569 Cb 0.03 -0.27 0.03 0.00 -2.08 0.00 0.00 39.78 37.48 1k2s n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1k2s s MET 570 N -1.45 2.65 -0.14 -3.83 -1.94 -1.26 -4.45 119.30 108.88 1k2s s MET 570 Ca 0.34 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.62 1k2s s MET 570 Cb 0.18 -2.50 -0.00 0.00 2.01 0.00 0.00 34.83 34.52 1k2s s MET 570 CO 0.25 -0.62 -0.17 -1.17 -0.01 0.00 0.00 175.02 173.29 1k2s s LEU 571 N -4.72 2.43 -0.22 -0.03 2.96 0.11 -4.32 118.68 114.89 1k2s s LEU 571 Ca 0.55 -0.47 -0.13 0.00 -0.22 0.00 0.00 54.13 53.86 1k2s s LEU 571 Cb -0.10 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1k2s s LEU 571 CO 0.38 0.11 0.28 -0.22 -1.32 0.00 0.00 176.35 175.58 1k2s s LEU 572 N 0.66 4.14 -0.19 -0.68 2.96 -0.87 -0.38 118.68 124.32 1k2s s LEU 572 Ca -0.08 0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 54.11 1k2s s LEU 572 Cb -0.16 -2.31 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 1k2s s LEU 572 CO 0.02 -0.00 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.29 1k2s s GLU 573 N 1.17 3.46 -0.03 1.98 2.12 -0.20 -0.40 118.70 126.80 1k2s s GLU 573 Ca 0.13 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.87 1k2s s GLU 573 Cb -0.14 -2.91 0.02 0.00 0.26 0.00 0.00 34.13 31.35 1k2s s GLU 573 CO 0.06 -0.00 -0.04 0.42 -0.54 0.00 0.00 175.26 175.16 1k2s s ILE 574 N 0.97 0.49 -1.54 -3.70 1.01 -0.65 -1.95 121.20 115.82 1k2s s ILE 574 Ca -0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 60.65 60.34 1k2s s ILE 574 Cb -0.15 -0.50 0.16 0.00 0.01 0.00 0.00 42.46 41.98 1k2s s ILE 574 CO 0.00 0.20 0.61 0.61 0.00 0.00 0.00 174.94 176.36 1k2s n GLY 575 N 3.81 -0.44 2.56 6.18 0.00 -1.26 0.72 105.19 116.76 1k2s n GLY 575 Ca -0.23 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1k2s n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2s n GLY 576 N -1.17 2.54 3.84 -0.02 0.00 -1.26 -3.67 105.19 105.45 1k2s n GLY 576 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1k2s n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2s s LEU 577 N 0.00 3.86 -0.07 0.99 1.43 0.22 -5.01 118.68 120.10 1k2s s LEU 577 Ca 0.00 1.45 0.05 0.00 -1.03 0.00 0.00 54.13 54.60 1k2s s LEU 577 Cb 0.00 -4.32 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 1k2s s LEU 577 CO 0.00 -0.39 -0.22 -1.61 0.23 0.00 0.00 176.35 174.36 1k2s s GLU 578 N -3.51 2.74 -0.49 1.70 2.02 -1.26 -1.64 118.70 118.25 1k2s s GLU 578 Ca 0.57 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.75 1k2s s GLU 578 Cb -0.10 -2.28 0.13 0.00 0.10 0.00 0.00 34.13 31.98 1k2s s GLU 578 CO 0.23 0.36 0.25 -0.06 0.02 0.00 0.00 175.26 176.05 1k2s s PHE 579 N -0.08 2.91 -1.07 1.61 0.40 0.47 -0.58 117.98 121.64 1k2s s PHE 579 Ca -0.05 -2.99 0.04 0.00 -0.60 0.00 0.00 56.93 53.33 1k2s s PHE 579 Cb -0.14 -2.60 0.19 0.00 0.51 0.00 0.00 43.02 40.97 1k2s s PHE 579 CO 0.04 -0.76 1.11 -1.13 0.70 0.00 0.00 175.22 175.19 1k2s n SER 580 N 3.25 0.00 -3.66 1.36 3.41 -1.26 -2.05 113.62 114.67 1k2s n SER 580 Ca 0.06 0.46 -0.28 0.00 -0.26 0.00 0.00 58.87 58.84 1k2s n SER 580 Cb 0.33 -0.47 -0.16 0.00 -0.26 0.00 0.00 64.21 63.66 1k2s n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k2s s ALA 581 N -2.93 0.95 -0.39 7.33 0.00 -1.17 -4.60 121.76 120.95 1k2s s ALA 581 Ca 0.02 -1.02 0.11 0.00 0.00 0.00 0.00 51.96 51.07 1k2s s ALA 581 Cb 0.03 -1.34 0.37 0.00 0.00 0.00 0.00 23.12 22.17 1k2s s ALA 581 CO 0.08 -1.45 0.98 0.00 0.00 0.00 0.00 175.76 175.37 1k2s n PRO 583 N 0.12 1.32 -4.15 0.00 -0.04 -1.18 -4.64 135.00 126.44 1k2s n PRO 583 Ca 0.12 0.47 -0.15 0.00 -0.04 0.00 0.00 63.50 63.90 1k2s n PRO 583 Cb 0.73 -1.97 -0.13 0.00 -0.04 0.00 0.00 33.50 32.09 1k2s n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1k2s s PHE 584 N -0.31 0.66 0.07 0.54 -0.12 -0.78 -1.12 117.98 116.91 1k2s s PHE 584 Ca 0.70 -0.30 0.01 0.00 -0.05 0.00 0.00 56.93 57.28 1k2s s PHE 584 Cb -0.80 -0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 41.15 1k2s s PHE 584 CO 0.53 -0.04 -0.05 -1.54 -0.05 0.00 0.00 175.22 174.07 1k2s s SER 585 N -0.89 0.82 0.00 1.98 1.04 0.32 -1.86 113.70 115.11 1k2s s SER 585 Ca -0.03 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.43 1k2s s SER 585 Cb -0.06 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1k2s s SER 585 CO 0.00 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1k2s n GLY 586 N 0.15 2.23 3.42 7.32 0.00 -1.19 -1.05 105.19 116.07 1k2s n GLY 586 Ca -0.14 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1k2s n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k2s s TRP 587 N 2.10 -0.52 0.54 1.61 -2.14 -1.26 -4.61 118.94 114.66 1k2s s TRP 587 Ca 0.00 0.35 -0.18 0.00 2.66 0.00 0.00 56.10 58.93 1k2s s TRP 587 Cb 0.00 0.52 -0.06 0.00 -3.10 0.00 0.00 33.47 30.84 1k2s s TRP 587 CO 0.00 -0.82 1.05 0.71 -2.66 0.00 0.00 176.95 175.23 1k2s s TYR 588 N -3.57 2.99 -0.17 1.66 1.51 -1.26 -4.92 117.35 113.59 1k2s s TYR 588 Ca 0.00 1.54 -0.04 0.00 -1.01 0.00 0.00 57.07 57.56 1k2s s TYR 588 Cb -0.01 -3.04 -0.02 0.00 -0.11 0.00 0.00 41.96 38.78 1k2s s TYR 588 CO -0.11 -1.00 -0.03 1.41 -1.11 0.00 0.00 175.55 174.70 1k2s s MET 589 N -3.69 3.62 0.00 -0.62 -2.45 -1.25 -1.06 119.30 113.85 1k2s s MET 589 Ca 0.65 -0.54 -0.00 0.00 -1.25 0.00 0.00 55.69 54.56 1k2s s MET 589 Cb -0.16 -2.94 -0.00 0.00 1.25 0.00 0.00 34.83 32.98 1k2s s MET 589 CO 0.29 0.16 0.52 0.41 1.05 0.00 0.00 175.02 177.46 1k2s n GLY 590 N 3.77 -1.63 0.60 2.11 0.00 0.11 -1.12 105.19 109.03 1k2s n GLY 590 Ca -0.17 0.31 0.46 0.00 0.00 0.00 0.00 46.02 46.61 1k2s n GLY 590 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1k2s h THR 591 N 0.00 0.07 -0.59 2.61 1.35 -1.94 -0.37 112.91 114.04 1k2s h THR 591 Ca 0.00 -0.01 0.12 0.00 -0.55 0.00 0.00 66.41 65.97 1k2s h THR 591 Cb 0.00 0.04 -0.09 0.00 -1.73 0.00 0.00 68.15 66.37 1k2s h THR 591 CO -0.01 0.00 0.06 -0.33 -0.25 0.00 0.00 175.52 175.00 1k2s h GLU 592 N 0.02 0.17 0.00 4.72 5.08 -1.53 0.27 114.58 123.31 1k2s h GLU 592 Ca 0.87 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 59.18 1k2s h GLU 592 Cb 3.19 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 32.40 1k2s h GLU 592 CO -0.20 0.11 -0.40 0.82 -1.00 0.00 0.00 179.01 178.34 1k2s h ILE 593 N 0.18 0.37 0.00 3.13 2.04 -1.24 -1.79 117.51 120.19 1k2s h ILE 593 Ca 0.31 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 1k2s h ILE 593 Cb 0.48 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1k2s h ILE 593 CO -0.46 0.12 -0.18 1.23 0.00 0.00 0.00 178.15 178.87 1k2s h GLY 594 N -1.00 0.00 0.00 5.37 0.00 -1.48 0.23 103.07 106.19 1k2s h GLY 594 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.09 1k2s h GLY 594 CO -0.03 0.00 -1.58 -0.62 0.00 0.00 0.00 176.54 174.30 1k2s n VAL 595 N -3.99 1.46 -0.07 4.60 0.31 0.87 -4.11 118.33 117.40 1k2s n VAL 595 Ca -0.02 -0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.12 1k2s n VAL 595 Cb 0.26 -2.11 -0.11 0.00 -0.91 0.00 0.00 33.84 30.97 1k2s n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1k2s h ARG 596 N -0.93 0.00 -0.35 5.55 2.47 -1.36 -2.58 114.38 117.17 1k2s h ARG 596 Ca -0.28 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.27 1k2s h ARG 596 Cb 1.21 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.52 1k2s h ARG 596 CO -0.17 0.88 -0.42 -0.44 0.56 0.00 0.00 179.97 180.38 1k2s h ASP 597 N -1.00 0.95 0.38 7.04 3.32 -1.06 -2.34 116.42 123.72 1k2s h ASP 597 Ca -0.02 -0.45 -0.32 0.00 0.02 0.00 0.00 57.03 56.26 1k2s h ASP 597 Cb 0.91 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1k2s h ASP 597 CO -0.01 1.24 -1.67 1.88 -1.72 0.00 0.00 179.24 178.95 1k2s h TYR 598 N 0.71 0.38 0.00 4.55 0.99 -0.73 -2.54 116.97 120.34 1k2s h TYR 598 Ca 0.05 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 60.49 1k2s h TYR 598 Cb 1.01 -0.02 -0.00 0.00 1.00 0.00 0.00 36.73 38.72 1k2s h TYR 598 CO 0.06 1.41 -1.73 0.00 -0.00 0.00 0.00 178.16 177.91 1k2s n ASP 600 N -2.06 1.69 -0.20 0.00 9.92 -0.88 -4.55 116.55 120.47 1k2s n ASP 600 Ca -0.04 1.15 0.07 0.00 -0.53 0.00 0.00 54.79 55.45 1k2s n ASP 600 Cb 0.43 -1.29 0.35 0.00 -0.64 0.00 0.00 41.12 39.97 1k2s n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1k2s h ASN 601 N 3.17 0.67 -0.03 -2.24 -1.24 -1.94 -1.25 115.58 112.72 1k2s h ASN 601 Ca -0.43 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.59 1k2s h ASN 601 Cb 1.33 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.24 1k2s h ASN 601 CO 0.69 0.42 0.00 -1.20 -1.29 0.00 0.00 177.43 176.05 1k2s n SER 602 N -4.49 0.25 0.00 1.15 7.64 -1.26 -4.48 113.62 112.43 1k2s n SER 602 Ca 0.12 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.99 1k2s n SER 602 Cb 0.26 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1k2s n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1k2s n ARG 603 N -0.37 0.00 0.00 1.43 5.12 -0.48 -4.21 116.66 118.15 1k2s n ARG 603 Ca 0.01 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.03 1k2s n ARG 603 Cb 0.05 0.00 0.50 0.00 -1.16 0.00 0.00 32.46 31.85 1k2s n ARG 603 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1k2s n TYR 604 N 0.00 0.00 -3.25 -1.55 4.02 -0.96 -4.59 117.16 110.83 1k2s n TYR 604 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1k2s n TYR 604 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 1k2s n TYR 604 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1k2s n ASN 605 N -1.38 -2.00 -0.99 7.72 5.15 -0.96 -4.86 115.26 117.95 1k2s n ASN 605 Ca 0.08 -0.46 0.12 0.00 -0.60 0.00 0.00 54.58 53.72 1k2s n ASN 605 Cb 0.20 -0.69 0.24 0.00 -0.53 0.00 0.00 39.78 39.01 1k2s n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1k2s n ILE 606 N -1.73 0.36 -0.06 -1.44 -5.35 0.15 -4.55 119.36 106.73 1k2s n ILE 606 Ca -0.12 -0.62 -0.08 0.00 -0.27 0.00 0.00 62.75 61.66 1k2s n ILE 606 Cb 0.29 0.91 -0.01 0.00 -1.74 0.00 0.00 39.64 39.08 1k2s n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1k2s h LEU 607 N 3.98 0.09 -0.22 7.28 3.38 -1.87 -2.62 115.31 125.32 1k2s h LEU 607 Ca 0.00 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1k2s h LEU 607 Cb 0.87 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1k2s h LEU 607 CO 0.00 0.08 -0.30 -0.33 0.09 0.00 0.00 178.44 177.98 1k2s h GLU 608 N 0.20 -0.20 -0.04 1.13 4.39 -2.00 -0.50 114.58 117.56 1k2s h GLU 608 Ca 0.11 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1k2s h GLU 608 Cb 0.08 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1k2s h GLU 608 CO -0.12 -0.13 -0.15 0.93 -1.16 0.00 0.00 179.01 178.38 1k2s h GLU 609 N -0.21 -0.15 -0.99 2.33 5.08 -1.88 0.77 114.58 119.53 1k2s h GLU 609 Ca 0.04 0.01 0.30 0.00 -1.00 0.00 0.00 59.36 58.71 1k2s h GLU 609 Cb 0.32 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.46 1k2s h GLU 609 CO -0.32 -0.10 0.56 0.28 -1.00 0.00 0.00 179.01 178.42 1k2s h VAL 610 N -0.16 0.36 0.54 3.13 2.07 -1.40 0.21 116.25 121.01 1k2s h VAL 610 Ca 0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1k2s h VAL 610 Cb 0.18 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1k2s h VAL 610 CO -0.12 0.07 -0.26 0.00 0.02 0.00 0.00 177.57 177.28 1k2s h ALA 611 N 1.82 -0.73 -0.57 1.67 0.00 -0.56 -2.32 119.26 118.56 1k2s h ALA 611 Ca 0.70 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.49 1k2s h ALA 611 Cb 1.53 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 19.50 1k2s h ALA 611 CO -0.58 -0.75 -0.49 0.87 0.00 0.00 0.00 179.25 178.30 1k2s h LYS 612 N -1.04 -0.25 0.00 0.00 1.57 0.16 0.97 116.57 117.99 1k2s h LYS 612 Ca -0.07 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1k2s h LYS 612 Cb 0.63 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1k2s h LYS 612 CO 0.12 -0.17 0.03 1.63 -0.57 0.00 0.00 179.45 180.50 1k2s n LYS 613 N -5.38 0.00 0.01 3.15 5.02 0.49 0.44 118.16 121.90 1k2s n LYS 613 Ca 0.00 0.47 0.11 0.00 -2.02 0.00 0.00 58.31 56.87 1k2s n LYS 613 Cb 0.34 -1.53 -0.08 0.00 -0.02 0.00 0.00 35.03 33.73 1k2s n LYS 613 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1k2s n MET 614 N -1.47 0.38 -3.02 1.97 2.81 0.33 -5.02 117.12 113.10 1k2s n MET 614 Ca 0.00 -0.07 -0.02 0.00 -1.81 0.00 0.00 57.70 55.80 1k2s n MET 614 Cb 0.03 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 1k2s n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1k2s n ASP 615 N -2.01 -7.82 -4.35 7.83 2.03 0.17 -5.04 116.55 107.36 1k2s n ASP 615 Ca 0.00 0.05 -0.21 0.00 0.52 0.00 0.00 54.79 55.15 1k2s n ASP 615 Cb 0.47 -5.31 -0.11 0.00 -0.72 0.00 0.00 41.12 35.45 1k2s n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1k2s s LEU 616 N -3.71 2.48 -0.75 -2.67 1.43 -1.25 -5.06 118.68 109.15 1k2s s LEU 616 Ca 0.05 -0.91 -0.25 0.00 -1.03 0.00 0.00 54.13 51.99 1k2s s LEU 616 Cb -0.01 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.34 1k2s s LEU 616 CO 0.76 -0.06 2.03 -0.62 0.23 0.00 0.00 176.35 178.68 1k2s s ASP 617 N -2.89 4.94 -0.15 2.29 3.68 -1.26 -4.73 116.67 118.55 1k2s s ASP 617 Ca 0.18 -0.08 0.10 0.00 2.13 0.00 0.00 52.55 54.88 1k2s s ASP 617 Cb -0.04 -2.54 0.55 0.00 -1.45 0.00 0.00 42.92 39.43 1k2s s ASP 617 CO 0.07 -2.80 1.35 0.23 0.13 0.00 0.00 175.17 174.16 1k2s n MET 618 N 8.97 3.53 0.03 4.34 2.81 -1.26 -4.26 117.12 131.29 1k2s n MET 618 Ca 0.34 -2.12 -0.19 0.00 -1.81 0.00 0.00 57.70 53.93 1k2s n MET 618 Cb 0.49 -1.97 -0.13 0.00 -0.71 0.00 0.00 33.22 30.90 1k2s n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k2s h ARG 619 N 2.75 0.35 -5.47 0.03 3.08 -2.04 -3.46 114.38 109.62 1k2s h ARG 619 Ca 0.00 -0.49 -0.53 0.00 0.07 0.00 0.00 59.98 59.03 1k2s h ARG 619 Cb 1.43 0.17 -0.30 0.00 0.08 0.00 0.00 29.97 31.35 1k2s h ARG 619 CO 0.31 1.19 -0.83 -1.59 -1.07 0.00 0.00 179.97 177.98 1k2s s LYS 620 N -2.76 1.43 0.53 0.04 -2.85 -1.26 -5.04 119.74 109.82 1k2s s LYS 620 Ca -0.13 -0.58 0.19 0.00 -1.00 0.00 0.00 55.97 54.44 1k2s s LYS 620 Cb 0.02 -1.34 1.33 0.00 -2.06 0.00 0.00 37.83 35.78 1k2s s LYS 620 CO 0.83 0.32 2.12 1.79 0.10 0.00 0.00 175.35 180.52 1k2s h THR 621 N 4.87 0.92 0.00 3.79 1.35 -1.90 -2.35 112.91 119.59 1k2s h THR 621 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1k2s h THR 621 Cb 1.16 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1k2s h THR 621 CO 0.48 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.21 1k2s n SER 622 N -4.46 0.00 0.08 5.36 3.41 -1.26 -1.22 113.62 115.53 1k2s n SER 622 Ca -0.01 -0.38 0.12 0.00 -0.26 0.00 0.00 58.87 58.34 1k2s n SER 622 Cb 0.19 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.23 1k2s n SER 622 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1k2s h SER 623 N 0.00 0.00 -5.41 4.04 4.64 -1.72 -3.48 113.55 111.63 1k2s h SER 623 Ca 0.00 -0.14 -0.36 0.00 -0.47 0.00 0.00 61.79 60.82 1k2s h SER 623 Cb 0.00 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.22 1k2s h SER 623 CO 0.00 0.07 -0.62 0.18 -0.87 0.00 0.00 176.83 175.59 1k2s n LEU 624 N -2.35 -3.29 -0.01 5.97 4.77 -0.36 -4.91 117.00 116.82 1k2s n LEU 624 Ca 0.02 -0.49 -0.03 0.00 -0.03 0.00 0.00 56.01 55.48 1k2s n LEU 624 Cb 0.49 -2.81 0.21 0.00 -2.33 0.00 0.00 43.42 38.98 1k2s n LEU 624 CO 0.38 0.60 0.81 4.11 -1.33 0.00 0.00 177.39 181.96 1k2s h TRP 625 N -2.47 0.61 -0.48 -1.77 5.08 -1.83 -0.76 115.95 114.33 1k2s h TRP 625 Ca -0.52 -0.10 -0.09 0.00 1.08 0.00 0.00 58.89 59.26 1k2s h TRP 625 Cb 1.34 -0.16 -0.02 0.00 -3.00 0.00 0.00 29.16 27.32 1k2s h TRP 625 CO 0.45 0.68 -0.06 0.87 -1.28 0.00 0.00 178.44 179.11 1k2s h LYS 626 N 0.51 0.84 -0.45 0.12 1.57 -1.91 -0.44 116.57 116.80 1k2s h LYS 626 Ca 0.09 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 1k2s h LYS 626 Cb 0.55 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1k2s h LYS 626 CO 0.03 0.87 -0.17 -0.44 -0.57 0.00 0.00 179.45 179.18 1k2s h ASP 627 N 0.76 0.92 -0.43 0.86 5.19 -1.79 -0.51 116.42 121.42 1k2s h ASP 627 Ca 0.14 -0.38 -0.09 0.00 -0.62 0.00 0.00 57.03 56.07 1k2s h ASP 627 Cb 0.54 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1k2s h ASP 627 CO 0.03 1.10 -0.09 1.56 -3.12 0.00 0.00 179.24 178.72 1k2s h GLN 628 N 0.74 0.81 -0.10 3.56 4.20 -0.93 -2.60 115.11 120.80 1k2s h GLN 628 Ca 0.11 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1k2s h GLN 628 Cb 0.72 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 1k2s h GLN 628 CO 0.06 0.92 0.01 0.00 -0.67 0.00 0.00 178.83 179.15 1k2s h ALA 629 N 0.86 0.14 -1.00 3.87 0.00 -1.03 -2.89 119.26 119.20 1k2s h ALA 629 Ca 0.11 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 55.02 1k2s h ALA 629 Cb 0.61 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1k2s h ALA 629 CO 0.04 -0.21 0.62 1.25 0.00 0.00 0.00 179.25 180.95 1k2s h LEU 630 N -0.07 0.84 -0.43 0.00 5.85 -1.03 0.45 115.31 120.92 1k2s h LEU 630 Ca 0.03 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1k2s h LEU 630 Cb 0.30 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1k2s h LEU 630 CO 0.00 0.36 -0.05 0.58 -0.34 0.00 0.00 178.44 178.99 1k2s h VAL 631 N 0.85 1.27 -0.14 1.05 2.07 -1.36 -2.73 116.25 117.27 1k2s h VAL 631 Ca 0.55 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1k2s h VAL 631 Cb 0.73 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1k2s h VAL 631 CO -0.34 0.38 0.06 -0.33 0.02 0.00 0.00 177.57 177.37 1k2s h GLU 632 N 0.62 0.20 -0.78 1.57 4.39 -0.93 -2.05 114.58 117.61 1k2s h GLU 632 Ca 0.11 -0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.93 1k2s h GLU 632 Cb 0.57 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 1k2s h GLU 632 CO 0.03 0.27 0.52 0.82 -1.16 0.00 0.00 179.01 179.49 1k2s h ILE 633 N 0.08 0.80 0.00 3.13 2.04 -0.93 -0.33 117.51 122.30 1k2s h ILE 633 Ca 0.05 -0.16 -0.17 0.00 1.00 0.00 0.00 64.86 65.58 1k2s h ILE 633 Cb 0.14 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1k2s h ILE 633 CO -0.01 0.08 -0.80 0.78 0.00 0.00 0.00 178.15 178.21 1k2s h ASN 634 N 0.46 0.00 -0.09 1.72 4.21 -1.18 -2.82 115.58 117.88 1k2s h ASN 634 Ca 0.38 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.89 1k2s h ASN 634 Cb 0.82 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.02 1k2s h ASN 634 CO -0.13 0.80 0.05 0.40 -1.29 0.00 0.00 177.43 177.26 1k2s h ILE 635 N 0.00 1.07 -0.15 2.81 1.08 -0.37 -2.18 117.51 119.77 1k2s h ILE 635 Ca -0.01 -0.18 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 1k2s h ILE 635 Cb 1.62 1.01 -0.06 0.00 -3.07 0.00 0.00 36.82 36.33 1k2s h ILE 635 CO 0.10 0.06 -0.21 0.00 -0.69 0.00 0.00 178.15 177.42 1k2s h ALA 636 N 0.98 -0.14 0.30 1.87 0.00 -1.33 0.25 119.26 121.19 1k2s h ALA 636 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1k2s h ALA 636 Cb 0.05 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1k2s h ALA 636 CO -0.01 -0.66 -0.41 0.28 0.00 0.00 0.00 179.25 178.46 1k2s h VAL 637 N -0.25 0.18 -1.00 0.00 2.07 -1.37 0.31 116.25 116.20 1k2s h VAL 637 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1k2s h VAL 637 Cb 0.41 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 1k2s h VAL 637 CO -0.30 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 177.87 1k2s h LEU 638 N -0.76 1.02 0.70 2.57 3.38 -1.20 -2.38 115.31 118.65 1k2s h LEU 638 Ca -0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1k2s h LEU 638 Cb 0.71 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1k2s h LEU 638 CO -0.13 0.65 -0.34 0.22 0.09 0.00 0.00 178.44 178.93 1k2s h TYR 639 N 1.16 -0.87 -0.02 1.13 3.20 0.27 -2.18 116.97 119.66 1k2s h TYR 639 Ca 0.43 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.29 1k2s h TYR 639 Cb 0.18 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1k2s h TYR 639 CO -0.00 -0.54 -0.07 0.77 -1.64 0.00 0.00 178.16 176.68 1k2s h SER 640 N -0.96 -0.24 -0.95 -2.11 0.02 -0.14 -0.75 113.55 108.43 1k2s h SER 640 Ca -0.10 0.03 0.27 0.00 -0.84 0.00 0.00 61.79 61.15 1k2s h SER 640 Cb 0.73 0.09 -0.17 0.00 0.14 0.00 0.00 62.40 63.19 1k2s h SER 640 CO 0.16 -0.07 0.09 -0.26 -1.14 0.00 0.00 176.83 175.62 1k2s h PHE 641 N -0.08 0.08 -0.09 3.45 -1.00 -1.48 0.33 116.94 118.14 1k2s h PHE 641 Ca 0.00 0.06 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 1k2s h PHE 641 Cb 0.09 0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 1k2s h PHE 641 CO -0.47 -0.38 -0.34 1.96 -1.61 0.00 0.00 178.31 177.47 1k2s h GLN 642 N 0.05 0.18 0.00 1.51 4.20 -0.93 0.24 115.11 120.37 1k2s h GLN 642 Ca 0.59 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 59.09 1k2s h GLN 642 Cb 1.23 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1k2s h GLN 642 CO -0.84 0.51 -0.68 0.77 -0.67 0.00 0.00 178.83 177.92 1k2s h SER 643 N 0.16 0.00 -0.64 1.46 0.02 0.11 -2.69 113.55 111.97 1k2s h SER 643 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1k2s h SER 643 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1k2s h SER 643 CO 0.05 0.68 0.00 0.47 -1.14 0.00 0.00 176.83 176.89 1k2s n ASP 644 N -3.65 3.73 -3.87 3.07 9.92 -0.69 -4.94 116.55 120.11 1k2s n ASP 644 Ca -0.01 -2.11 -0.28 0.00 -0.53 0.00 0.00 54.79 51.86 1k2s n ASP 644 Cb 0.68 -0.47 0.02 0.00 -0.64 0.00 0.00 41.12 40.72 1k2s n ASP 644 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1k2s n LYS 645 N 1.30 -5.22 -4.02 -1.24 5.02 -0.82 -4.95 118.16 108.23 1k2s n LYS 645 Ca 0.22 0.59 -0.35 0.00 -2.02 0.00 0.00 58.31 56.75 1k2s n LYS 645 Cb 0.62 -5.36 -0.09 0.00 -0.02 0.00 0.00 35.03 30.18 1k2s n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k2s s VAL 646 N -3.42 4.83 0.34 -0.18 1.01 0.80 -4.24 120.40 119.54 1k2s s VAL 646 Ca 0.47 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.14 1k2s s VAL 646 Cb -0.24 -3.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.87 1k2s s VAL 646 CO 0.83 0.49 1.41 0.41 0.00 0.00 0.00 175.10 178.25 1k2s n THR 647 N 3.22 1.83 -3.64 3.92 -1.04 0.29 -4.29 114.28 114.57 1k2s n THR 647 Ca -0.17 -0.46 -0.07 0.00 -2.04 0.00 0.00 64.05 61.31 1k2s n THR 647 Cb 0.53 -1.77 -0.07 0.00 -1.82 0.00 0.00 70.33 67.19 1k2s n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1k2s s ILE 648 N -0.92 0.00 0.01 12.58 2.07 -1.26 -4.53 121.20 129.15 1k2s s ILE 648 Ca 0.56 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.88 1k2s s ILE 648 Cb -0.53 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.04 1k2s s ILE 648 CO 0.61 0.00 -0.24 0.54 -1.91 0.00 0.00 174.94 173.94 1k2s s VAL 649 N 0.00 1.88 0.66 4.00 0.11 -0.23 -4.98 120.40 121.84 1k2s s VAL 649 Ca 0.04 -1.14 -0.06 0.00 -2.93 0.00 0.00 61.98 57.89 1k2s s VAL 649 Cb -0.04 -1.59 0.04 0.00 -1.53 0.00 0.00 36.38 33.25 1k2s s VAL 649 CO -0.09 0.41 0.97 1.51 -3.33 0.00 0.00 175.10 174.57 1k2s s ASP 650 N -0.86 5.15 0.52 3.54 -4.77 -1.26 0.06 116.67 119.05 1k2s s ASP 650 Ca 0.09 0.57 0.28 0.00 -3.30 0.00 0.00 52.55 50.19 1k2s s ASP 650 Cb -0.09 -1.36 1.46 0.00 -1.09 0.00 0.00 42.92 41.83 1k2s s ASP 650 CO 0.00 -1.37 2.07 1.12 0.70 0.00 0.00 175.17 177.69 1k2s h HIS 651 N -0.42 0.00 -0.03 2.11 2.07 -1.98 -1.73 115.15 115.18 1k2s h HIS 651 Ca -0.45 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 56.96 1k2s h HIS 651 Cb 1.29 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.28 1k2s h HIS 651 CO 0.39 0.11 -0.42 0.45 -3.07 0.00 0.00 177.93 175.40 1k2s h HIS 652 N 0.00 0.47 0.10 6.12 3.86 -1.95 -2.72 115.15 121.03 1k2s h HIS 652 Ca -0.00 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1k2s h HIS 652 Cb 0.35 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1k2s h HIS 652 CO 0.00 1.03 -0.05 0.77 0.86 0.00 0.00 177.93 180.54 1k2s h SER 653 N -0.22 -0.11 -0.34 2.45 0.02 -1.94 -2.21 113.55 111.21 1k2s h SER 653 Ca -0.05 -0.37 0.07 0.00 -0.84 0.00 0.00 61.79 60.61 1k2s h SER 653 Cb 1.12 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.61 1k2s h SER 653 CO 0.08 0.33 -0.23 0.00 -1.14 0.00 0.00 176.83 175.88 1k2s h ALA 654 N 0.25 -0.02 -0.46 3.77 0.00 -1.45 0.15 119.26 121.50 1k2s h ALA 654 Ca -0.01 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1k2s h ALA 654 Cb 0.47 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1k2s h ALA 654 CO 0.02 -0.62 0.15 1.79 0.00 0.00 0.00 179.25 180.60 1k2s h THR 655 N -0.19 1.22 -0.40 0.00 1.35 -1.54 -0.66 112.91 112.69 1k2s h THR 655 Ca 0.17 -0.72 0.04 0.00 -0.55 0.00 0.00 66.41 65.35 1k2s h THR 655 Cb 0.45 0.82 -0.04 0.00 -1.73 0.00 0.00 68.15 67.65 1k2s h THR 655 CO -0.45 0.26 0.18 -0.08 -0.25 0.00 0.00 175.52 175.18 1k2s h GLU 656 N 0.61 0.36 0.08 4.72 4.81 -0.93 -1.28 114.58 122.95 1k2s h GLU 656 Ca 0.15 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1k2s h GLU 656 Cb 0.25 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1k2s h GLU 656 CO -0.01 0.24 -0.31 0.77 -0.73 0.00 0.00 179.01 178.97 1k2s h SER 657 N 0.37 -0.90 -0.89 1.04 0.02 -0.37 -1.52 113.55 111.30 1k2s h SER 657 Ca 0.18 0.11 0.19 0.00 -0.84 0.00 0.00 61.79 61.43 1k2s h SER 657 Cb 0.12 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 1k2s h SER 657 CO -0.15 -0.39 0.59 0.15 -1.14 0.00 0.00 176.83 175.89 1k2s h PHE 658 N -0.51 0.58 -0.24 3.45 3.57 -0.61 0.31 116.94 123.50 1k2s h PHE 658 Ca 0.04 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1k2s h PHE 658 Cb 0.56 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1k2s h PHE 658 CO -0.30 0.16 0.06 0.82 -2.23 0.00 0.00 178.31 176.83 1k2s h ILE 659 N 0.45 1.20 0.27 1.41 1.08 -0.23 0.43 117.51 122.12 1k2s h ILE 659 Ca 0.46 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1k2s h ILE 659 Cb 1.09 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 36.02 1k2s h ILE 659 CO -0.18 0.21 -0.17 0.11 -0.69 0.00 0.00 178.15 177.43 1k2s h LYS 660 N 0.21 -0.41 -0.30 2.37 1.57 -0.55 0.14 116.57 119.60 1k2s h LYS 660 Ca 0.08 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1k2s h LYS 660 Cb 0.26 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.59 1k2s h LYS 660 CO -0.00 -0.27 -0.24 1.25 -0.57 0.00 0.00 179.45 179.62 1k2s h HIS 661 N -0.43 -0.63 -0.89 -1.35 2.76 -0.93 0.15 115.15 113.82 1k2s h HIS 661 Ca -0.02 0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.30 1k2s h HIS 661 Cb 0.36 0.32 -0.08 0.00 1.55 0.00 0.00 27.41 29.56 1k2s h HIS 661 CO -0.10 -0.32 0.53 1.98 -1.30 0.00 0.00 177.93 178.73 1k2s h MET 662 N -0.22 0.83 -0.65 5.26 1.85 0.28 0.37 114.93 122.64 1k2s h MET 662 Ca 0.16 -0.05 -0.06 0.00 -0.61 0.00 0.00 59.70 59.14 1k2s h MET 662 Cb 0.46 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 32.28 1k2s h MET 662 CO -0.43 0.55 0.18 0.93 -0.40 0.00 0.00 176.91 177.73 1k2s h GLU 663 N 0.85 1.03 -0.34 0.39 5.08 0.12 -2.33 114.58 119.38 1k2s h GLU 663 Ca 0.44 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1k2s h GLU 663 Cb 0.44 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1k2s h GLU 663 CO -0.27 0.91 0.03 -0.91 -1.00 0.00 0.00 179.01 177.78 1k2s h ASN 664 N 0.95 0.55 -0.53 1.42 2.35 0.11 -2.90 115.58 117.53 1k2s h ASN 664 Ca 0.21 -0.28 0.10 0.00 -0.55 0.00 0.00 56.30 55.77 1k2s h ASN 664 Cb 0.33 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1k2s h ASN 664 CO -0.00 0.69 0.36 -0.33 -1.65 0.00 0.00 177.43 176.50 1k2s h GLU 665 N 0.39 0.29 -0.12 0.81 4.39 -0.15 -0.03 114.58 120.18 1k2s h GLU 665 Ca 0.10 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 1k2s h GLU 665 Cb 0.39 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1k2s h GLU 665 CO 0.01 0.19 -0.23 1.88 -1.16 0.00 0.00 179.01 179.71 1k2s h TYR 666 N 0.30 0.45 -0.34 4.33 -1.99 -1.23 0.28 116.97 118.78 1k2s h TYR 666 Ca 0.24 -0.16 -0.14 0.00 2.00 0.00 0.00 58.73 60.67 1k2s h TYR 666 Cb 0.56 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 1k2s h TYR 666 CO -0.00 0.84 -0.34 0.07 -0.00 0.00 0.00 178.16 178.73 1k2s h ARG 667 N -0.07 0.82 0.09 4.88 0.11 -1.28 0.49 114.38 119.42 1k2s h ARG 667 Ca 0.00 -0.43 -0.12 0.00 0.10 0.00 0.00 59.98 59.53 1k2s h ARG 667 Cb 0.81 0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.92 1k2s h ARG 667 CO 0.05 1.07 -0.54 0.00 0.10 0.00 0.00 179.97 180.65 1k2s n ARG 669 N -4.30 0.59 -0.55 0.00 0.63 -0.01 -5.00 116.66 108.03 1k2s n ARG 669 Ca -0.13 -0.16 0.00 0.00 -0.92 0.00 0.00 57.85 56.64 1k2s n ARG 669 Cb 0.70 -1.44 0.00 0.00 0.45 0.00 0.00 32.46 32.17 1k2s n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k2s n GLY 670 N 1.44 0.66 0.00 5.14 0.00 0.16 -4.58 105.19 108.01 1k2s n GLY 670 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1k2s n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2s n GLY 671 N -2.55 0.89 3.16 -0.02 0.00 -0.97 -0.63 105.19 105.07 1k2s n GLY 671 Ca 0.00 -1.22 0.04 0.00 0.00 0.00 0.00 46.02 44.84 1k2s n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2s n PRO 673 N 5.25 2.64 -3.73 0.00 -0.04 -1.26 -4.65 135.00 133.21 1k2s n PRO 673 Ca 0.06 0.94 -0.12 0.00 -0.04 0.00 0.00 63.50 64.34 1k2s n PRO 673 Cb 0.55 -2.73 -0.12 0.00 -0.04 0.00 0.00 33.50 31.15 1k2s n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2s s ALA 674 N 0.36 -0.69 -0.50 0.55 0.00 -0.58 -4.19 121.76 116.71 1k2s s ALA 674 Ca 0.68 1.08 -0.18 0.00 0.00 0.00 0.00 51.96 53.55 1k2s s ALA 674 Cb -0.52 -0.67 0.06 0.00 0.00 0.00 0.00 23.12 21.99 1k2s s ALA 674 CO 0.44 -0.20 0.55 0.34 0.00 0.00 0.00 175.76 176.89 1k2s s ASP 675 N 1.09 6.20 0.19 0.00 -1.08 0.20 -3.97 116.67 119.30 1k2s s ASP 675 Ca -0.08 -1.06 -0.12 0.00 -0.52 0.00 0.00 52.55 50.77 1k2s s ASP 675 Cb -0.08 -2.25 0.14 0.00 -1.46 0.00 0.00 42.92 39.26 1k2s s ASP 675 CO -0.08 -0.82 1.83 -0.25 0.52 0.00 0.00 175.17 176.37 1k2s h TRP 676 N 8.92 0.69 -0.54 -5.34 7.01 -1.91 0.56 115.95 125.34 1k2s h TRP 676 Ca -0.28 0.02 0.16 0.00 2.11 0.00 0.00 58.89 60.90 1k2s h TRP 676 Cb 1.10 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.91 1k2s h TRP 676 CO 0.72 0.39 0.48 0.28 -2.79 0.00 0.00 178.44 177.52 1k2s h VAL 677 N 0.73 0.47 0.00 2.65 2.07 -1.92 -2.41 116.25 117.85 1k2s h VAL 677 Ca 0.24 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.43 1k2s h VAL 677 Cb 0.02 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.37 1k2s h VAL 677 CO -0.10 0.00 -2.26 0.79 0.02 0.00 0.00 177.57 176.02 1k2s n TRP 678 N -3.95 0.00 -0.11 1.57 7.02 -0.79 -4.62 117.44 116.56 1k2s n TRP 678 Ca 0.10 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.49 1k2s n TRP 678 Cb 0.70 -0.88 -0.02 0.00 -2.42 0.00 0.00 31.31 28.69 1k2s n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1k2s h ILE 679 N 0.00 1.21 -2.68 -0.99 1.08 -0.44 -3.42 117.51 112.26 1k2s h ILE 679 Ca -0.50 -0.66 -0.53 0.00 -0.39 0.00 0.00 64.86 62.77 1k2s h ILE 679 Cb 1.98 1.01 0.02 0.00 -3.07 0.00 0.00 36.82 36.76 1k2s h ILE 679 CO -0.02 0.23 1.00 -0.69 -0.69 0.00 0.00 178.15 177.98 1k2s s VAL 680 N -5.41 3.12 0.69 1.67 1.01 -0.97 -4.92 120.40 115.60 1k2s s VAL 680 Ca -0.13 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1k2s s VAL 680 Cb 0.09 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1k2s s VAL 680 CO 0.75 -0.01 1.18 -2.65 0.00 0.00 0.00 175.10 174.37 1k2s n PRO 681 N 5.77 0.80 0.00 2.72 -0.02 -1.26 -4.89 135.00 138.12 1k2s n PRO 681 Ca 0.16 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1k2s n PRO 681 Cb 0.41 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1k2s n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1k2s n PRO 682 N -2.05 0.81 -3.70 0.52 -0.04 -1.26 -4.28 135.00 125.00 1k2s n PRO 682 Ca 0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1k2s n PRO 682 Cb 0.49 -1.18 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 1k2s n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2s s MET 683 N -1.55 0.75 -1.08 0.54 0.23 -1.26 -4.90 119.30 112.03 1k2s s MET 683 Ca 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 55.69 54.62 1k2s s MET 683 Cb 0.00 0.34 0.00 0.00 -1.53 0.00 0.00 34.83 33.64 1k2s s MET 683 CO 0.00 -0.21 0.00 0.43 -2.03 0.00 0.00 175.02 173.21 1k2s n SER 684 N 1.28 -3.42 -0.02 -1.18 7.64 -1.26 -4.85 113.62 111.80 1k2s n SER 684 Ca -0.20 0.24 -0.01 0.00 1.01 0.00 0.00 58.87 59.91 1k2s n SER 684 Cb 0.56 -3.05 -0.01 0.00 -1.01 0.00 0.00 64.21 60.71 1k2s n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k2s n GLY 685 N -0.54 -2.08 0.00 0.23 0.00 -1.26 -0.38 105.19 101.16 1k2s n GLY 685 Ca -0.13 0.43 0.02 0.00 0.00 0.00 0.00 46.02 46.34 1k2s n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2s n SER 686 N -2.85 0.00 -1.03 1.61 3.41 -1.26 -1.44 113.62 112.06 1k2s n SER 686 Ca 0.00 -0.05 0.08 0.00 -0.26 0.00 0.00 58.87 58.64 1k2s n SER 686 Cb 0.01 -0.07 0.25 0.00 -0.26 0.00 0.00 64.21 64.14 1k2s n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1k2s n ILE 687 N -1.07 1.38 -4.36 -1.33 -5.35 0.49 -4.87 119.36 104.25 1k2s n ILE 687 Ca 0.03 -1.18 -0.32 0.00 -0.27 0.00 0.00 62.75 61.02 1k2s n ILE 687 Cb 0.02 0.30 -0.10 0.00 -1.74 0.00 0.00 39.64 38.13 1k2s n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1k2s s THR 688 N -1.46 3.75 0.41 7.28 -4.23 -0.52 -5.03 115.64 115.85 1k2s s THR 688 Ca 0.37 -0.82 0.12 0.00 -1.18 0.00 0.00 61.69 60.18 1k2s s THR 688 Cb 0.23 -2.67 0.16 0.00 1.34 0.00 0.00 72.50 71.55 1k2s s THR 688 CO 0.20 0.33 1.94 1.55 -0.54 0.00 0.00 174.62 178.10 1k2s h PRO 689 N 4.27 0.11 0.00 3.99 0.13 -1.89 -2.75 132.00 135.86 1k2s h PRO 689 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1k2s h PRO 689 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1k2s h PRO 689 CO 0.55 0.29 0.00 -0.39 -0.23 0.00 0.00 178.00 178.22 1k2s h VAL 690 N 0.10 0.00 -0.59 1.56 -1.51 -1.90 -2.31 116.25 111.61 1k2s h VAL 690 Ca 0.02 -0.05 -0.07 0.00 -1.23 0.00 0.00 66.70 65.36 1k2s h VAL 690 Cb 0.39 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.40 1k2s h VAL 690 CO 0.03 0.00 0.09 0.15 -1.23 0.00 0.00 177.57 176.60 1k2s h PHE 691 N 0.00 1.05 -0.09 5.19 3.57 -1.71 -2.74 116.94 122.21 1k2s h PHE 691 Ca 0.00 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1k2s h PHE 691 Cb 0.06 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1k2s h PHE 691 CO 0.00 0.91 0.00 0.72 -2.23 0.00 0.00 178.31 177.71 1k2s n HIS 692 N -4.30 0.11 -3.39 0.41 8.25 -0.87 -4.84 115.22 110.58 1k2s n HIS 692 Ca 0.03 -0.06 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 1k2s n HIS 692 Cb 0.28 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.30 1k2s n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k2s s GLN 693 N -1.89 4.02 0.52 -0.41 2.00 -1.04 -1.23 119.66 121.64 1k2s s GLN 693 Ca 0.34 0.05 -0.19 0.00 -2.00 0.00 0.00 55.36 53.56 1k2s s GLN 693 Cb 0.18 -3.65 -0.07 0.00 0.80 0.00 0.00 33.01 30.27 1k2s s GLN 693 CO 0.28 -0.26 1.06 -1.21 -0.50 0.00 0.00 175.29 174.65 1k2s s GLU 694 N 2.02 3.62 -0.02 1.67 2.02 -0.92 -4.99 118.70 122.11 1k2s s GLU 694 Ca 0.15 1.36 -0.08 0.00 0.02 0.00 0.00 54.97 56.42 1k2s s GLU 694 Cb -0.16 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 32.01 1k2s s GLU 694 CO 0.10 -0.58 0.17 -1.64 0.02 0.00 0.00 175.26 173.32 1k2s s MET 695 N -3.45 0.45 -0.13 1.61 -1.94 -1.26 -4.75 119.30 109.82 1k2s s MET 695 Ca 0.67 -0.23 -0.03 0.00 -1.71 0.00 0.00 55.69 54.40 1k2s s MET 695 Cb -0.17 0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.83 1k2s s MET 695 CO 0.25 -0.10 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.62 1k2s s LEU 696 N -1.04 3.34 -0.13 -0.03 1.43 -1.26 -4.92 118.68 116.06 1k2s s LEU 696 Ca -0.11 -0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1k2s s LEU 696 Cb -0.06 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1k2s s LEU 696 CO 0.02 0.24 -0.09 0.21 0.23 0.00 0.00 176.35 176.95 1k2s s ASN 697 N -0.05 4.37 0.13 2.29 3.04 -1.25 -1.53 114.94 121.93 1k2s s ASN 697 Ca 0.02 -0.22 -0.24 0.00 0.04 0.00 0.00 52.86 52.46 1k2s s ASN 697 Cb -0.13 -1.62 0.07 0.00 -1.54 0.00 0.00 41.25 38.04 1k2s s ASN 697 CO 0.02 0.19 0.62 -0.72 -3.04 0.00 0.00 177.10 174.17 1k2s s TYR 698 N 0.22 -0.55 -0.21 0.43 -0.85 -1.26 -4.97 117.35 110.16 1k2s s TYR 698 Ca -0.06 0.45 -0.10 0.00 -0.52 0.00 0.00 57.07 56.84 1k2s s TYR 698 Cb -0.15 0.54 -0.05 0.00 0.38 0.00 0.00 41.96 42.68 1k2s s TYR 698 CO 0.04 -0.81 0.13 1.03 -1.52 0.00 0.00 175.55 174.42 1k2s s ARG 699 N -3.35 4.15 0.03 -3.49 0.52 -1.26 -4.79 118.95 110.75 1k2s s ARG 699 Ca -0.01 -0.24 0.07 0.00 -0.52 0.00 0.00 55.73 55.03 1k2s s ARG 699 Cb -0.01 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 32.02 1k2s s ARG 699 CO -0.09 0.26 -0.20 -0.51 0.02 0.00 0.00 175.30 174.77 1k2s s LEU 700 N 0.48 2.13 0.13 2.53 1.43 -1.26 -3.30 118.68 120.82 1k2s s LEU 700 Ca 0.07 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 1k2s s LEU 700 Cb -0.12 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 1k2s s LEU 700 CO -0.01 0.18 0.06 0.42 0.23 0.00 0.00 176.35 177.23 1k2s s THR 701 N -0.70 4.23 0.95 5.49 -4.23 -1.26 -4.12 115.64 116.00 1k2s s THR 701 Ca 0.07 -1.06 -0.11 0.00 -1.18 0.00 0.00 61.69 59.41 1k2s s THR 701 Cb -0.08 -3.09 0.11 0.00 1.34 0.00 0.00 72.50 70.77 1k2s s THR 701 CO 0.01 -0.00 0.82 -2.65 -0.54 0.00 0.00 174.62 172.25 1k2s n PRO 702 N 0.09 -0.49 -3.63 3.99 -0.02 -1.26 -5.02 135.00 128.66 1k2s n PRO 702 Ca -0.09 -0.09 -0.10 0.00 -2.02 0.00 0.00 63.50 61.19 1k2s n PRO 702 Cb 0.53 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 1k2s n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1k2s s SER 703 N -2.36 -0.28 -0.20 2.55 1.04 -0.82 -4.12 113.70 109.50 1k2s s SER 703 Ca 0.63 -0.31 -0.08 0.00 0.48 0.00 0.00 55.95 56.67 1k2s s SER 703 Cb -0.22 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1k2s s SER 703 CO 0.62 -0.90 0.08 -0.36 0.98 0.00 0.00 173.24 173.66 1k2s s PHE 704 N -3.81 3.22 0.24 5.02 0.40 -1.26 -1.03 117.98 120.75 1k2s s PHE 704 Ca 0.04 -0.01 0.09 0.00 -0.60 0.00 0.00 56.93 56.44 1k2s s PHE 704 Cb 0.01 -2.14 -0.05 0.00 0.51 0.00 0.00 43.02 41.35 1k2s s PHE 704 CO -0.10 0.03 -0.14 -1.21 0.70 0.00 0.00 175.22 174.49 1k2s s GLU 705 N 0.74 1.45 0.76 0.44 0.41 0.49 -4.95 118.70 118.04 1k2s s GLU 705 Ca 0.04 -1.67 -0.10 0.00 -0.41 0.00 0.00 54.97 52.83 1k2s s GLU 705 Cb -0.13 -1.29 0.07 0.00 -1.78 0.00 0.00 34.13 30.99 1k2s s GLU 705 CO 0.02 0.20 1.12 0.71 -0.49 0.00 0.00 175.26 176.82 1k2s s TYR 706 N -2.86 3.00 0.05 1.61 4.12 -1.26 -0.71 117.35 121.30 1k2s s TYR 706 Ca 0.25 0.71 -0.24 0.00 0.02 0.00 0.00 57.07 57.81 1k2s s TYR 706 Cb -0.01 -3.35 0.06 0.00 -1.52 0.00 0.00 41.96 37.14 1k2s s TYR 706 CO 0.10 -1.59 0.57 1.14 0.02 0.00 0.00 175.55 175.79 1k2s s GLN 707 N -5.45 1.10 0.43 -0.62 -2.07 -1.26 -4.67 119.66 107.12 1k2s s GLN 707 Ca 0.61 -0.19 -0.25 0.00 -1.82 0.00 0.00 55.36 53.72 1k2s s GLN 707 Cb -0.11 0.51 -0.10 0.00 -1.09 0.00 0.00 33.01 32.22 1k2s s GLN 707 CO 0.48 -0.41 1.17 -2.30 -1.32 0.00 0.00 175.29 172.91 1k2s n PRO 708 N 0.32 1.66 -1.74 9.60 -0.02 -1.26 -4.89 135.00 138.67 1k2s n PRO 708 Ca -0.18 0.59 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1k2s n PRO 708 Cb 0.61 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1k2s n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1k2s n ASP 709 N 0.21 3.35 -0.36 2.55 8.00 -1.26 -4.87 116.55 124.16 1k2s n ASP 709 Ca 0.08 1.21 -0.00 0.00 0.71 0.00 0.00 54.79 56.79 1k2s n ASP 709 Cb 0.40 -1.56 0.13 0.00 -0.02 0.00 0.00 41.12 40.08 1k2s n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1k2s h PRO 710 N 2.96 1.21 0.00 -0.24 0.13 -1.92 -2.05 132.00 132.10 1k2s h PRO 710 Ca -0.48 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1k2s h PRO 710 Cb 1.26 -0.27 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 1k2s h PRO 710 CO 0.65 0.80 -0.02 0.11 -0.23 0.00 0.00 178.00 179.31 1k2s h TRP 711 N 1.25 0.00 -0.24 1.56 0.09 -1.96 0.58 115.95 117.23 1k2s h TRP 711 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.37 1k2s h TRP 711 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.23 1k2s h TRP 711 CO -0.00 0.02 0.00 0.09 0.09 0.00 0.00 178.44 178.63 1k2s n ASN 712 N -3.21 1.57 0.00 0.11 5.03 -0.77 -4.28 115.26 113.70 1k2s n ASN 712 Ca -0.02 -1.86 0.00 0.00 0.87 0.00 0.00 54.58 53.57 1k2s n ASN 712 Cb 0.16 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1k2s n ASN 712 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1k2s n THR 713 N 0.31 0.00 -2.20 3.41 -2.24 -0.30 -4.98 114.28 108.27 1k2s n THR 713 Ca 0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.49 1k2s n THR 713 Cb 0.27 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 1k2s n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1k2s s HIS 714 N 0.00 3.27 -1.04 4.78 5.04 0.04 -4.96 115.29 122.43 1k2s s HIS 714 Ca 0.00 1.00 -0.16 0.00 -1.54 0.00 0.00 55.06 54.37 1k2s s HIS 714 Cb 0.00 -3.65 0.16 0.00 0.04 0.00 0.00 32.58 29.14 1k2s s HIS 714 CO 0.00 -2.23 1.21 0.08 -2.34 0.00 0.00 174.74 171.46 1k2s s VAL 715 N 1.06 5.01 -1.03 0.89 1.01 -1.26 -5.03 120.40 121.05 1k2s s VAL 715 Ca 0.64 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1k2s s VAL 715 Cb -0.36 -4.79 0.00 0.00 0.00 0.00 0.00 36.38 31.23 1k2s s VAL 715 CO 0.30 -1.49 0.26 0.79 0.00 0.00 0.00 175.10 174.96