#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b3m s PHE 300 N 0.00 2.06 -0.05 -0.14 0.40 -1.26 -4.73 117.98 114.26 3b3m s PHE 300 Ca 0.00 -0.65 0.06 0.00 -0.60 0.00 0.00 56.93 55.73 3b3m s PHE 300 Cb 0.00 -1.38 -0.01 0.00 0.51 0.00 0.00 43.02 42.14 3b3m s PHE 300 CO 0.00 -0.23 -0.23 -0.51 0.70 0.00 0.00 175.22 174.95 3b3m s LEU 301 N 0.07 2.03 0.01 -0.37 1.43 -0.95 -4.96 118.68 115.93 3b3m s LEU 301 Ca -0.07 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3b3m s LEU 301 Cb -0.14 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 3b3m s LEU 301 CO 0.04 0.23 -0.05 -0.54 0.23 0.00 0.00 176.35 176.25 3b3m s LYS 302 N -0.18 2.57 -0.04 1.70 1.02 -1.26 0.11 119.74 123.66 3b3m s LYS 302 Ca -0.01 -0.73 0.04 0.00 0.02 0.00 0.00 55.97 55.29 3b3m s LYS 302 Cb -0.12 -2.52 -0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3b3m s LYS 302 CO 0.02 0.60 -0.16 0.14 -0.92 0.00 0.00 175.35 175.03 3b3m s VAL 303 N -1.05 1.36 0.04 3.17 -7.23 -0.34 -4.97 120.40 111.39 3b3m s VAL 303 Ca 0.18 -0.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.74 3b3m s VAL 303 Cb -0.11 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 3b3m s VAL 303 CO 0.09 0.40 -0.16 -0.75 -0.31 0.00 0.00 175.10 174.37 3b3m s LYS 304 N 0.09 2.15 -0.33 4.82 2.20 -1.26 -0.48 119.74 126.93 3b3m s LYS 304 Ca -0.04 -0.94 -0.12 0.00 -0.36 0.00 0.00 55.97 54.50 3b3m s LYS 304 Cb -0.12 -2.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.93 3b3m s LYS 304 CO 0.02 0.55 0.23 1.21 -0.36 0.00 0.00 175.35 177.00 3b3m s ASN 305 N -1.49 6.03 0.00 1.43 3.84 -0.32 -1.72 114.94 122.71 3b3m s ASN 305 Ca 0.15 -0.37 0.19 0.00 0.21 0.00 0.00 52.86 53.04 3b3m s ASN 305 Cb -0.11 -2.13 1.13 0.00 -0.55 0.00 0.00 41.25 39.60 3b3m s ASN 305 CO 0.06 -0.21 1.58 0.79 -2.79 0.00 0.00 177.10 176.54 3b3m n TRP 306 N 5.09 0.00 -0.09 0.43 7.02 -0.15 0.34 117.44 130.08 3b3m n TRP 306 Ca -0.13 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.24 3b3m n TRP 306 Cb 0.50 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.28 3b3m n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3b3m n GLU 307 N -0.89 0.93 0.00 -0.99 2.13 -1.26 -4.66 120.64 115.90 3b3m n GLU 307 Ca 0.14 0.06 0.04 0.00 0.66 0.00 0.00 57.16 58.06 3b3m n GLU 307 Cb 0.07 -1.41 -0.02 0.00 0.27 0.00 0.00 31.44 30.34 3b3m n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3b3m n THR 308 N -2.85 0.00 -0.59 6.31 -2.24 -1.15 -4.98 114.28 108.77 3b3m n THR 308 Ca -0.31 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3b3m n THR 308 Cb 0.95 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 3b3m n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3b3m n ASP 309 N -0.73 0.00 -4.74 3.42 10.43 0.15 -4.94 116.55 120.15 3b3m n ASP 309 Ca 0.03 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.97 3b3m n ASP 309 Cb 0.16 -1.63 -0.02 0.00 1.84 0.00 0.00 41.12 41.47 3b3m n ASP 309 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3b3m n VAL 310 N -2.00 0.55 -4.83 2.53 0.31 -1.25 -4.71 118.33 108.93 3b3m n VAL 310 Ca 0.00 -0.14 -0.32 0.00 -0.01 0.00 0.00 64.34 63.87 3b3m n VAL 310 Cb 0.00 -1.99 -0.17 0.00 -0.91 0.00 0.00 33.84 30.77 3b3m n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3b3m s VAL 311 N 0.55 2.12 0.18 2.52 1.01 -1.26 -1.17 120.40 124.35 3b3m s VAL 311 Ca 0.69 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.77 3b3m s VAL 311 Cb -0.49 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3b3m s VAL 311 CO 0.41 0.55 0.04 -0.76 0.00 0.00 0.00 175.10 175.34 3b3m s LEU 312 N 0.66 3.44 -0.12 3.92 1.43 0.37 -4.94 118.68 123.44 3b3m s LEU 312 Ca -0.11 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 3b3m s LEU 312 Cb -0.16 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 43.99 3b3m s LEU 312 CO 0.02 0.07 -0.21 -0.89 0.23 0.00 0.00 176.35 175.57 3b3m s THR 313 N -1.81 2.29 -0.21 5.49 2.01 -1.26 -1.20 115.64 120.95 3b3m s THR 313 Ca 0.29 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.29 3b3m s THR 313 Cb -0.09 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 3b3m s THR 313 CO 0.20 0.55 0.07 -0.62 -0.69 0.00 0.00 174.62 174.13 3b3m s ASP 314 N 0.51 5.51 0.00 3.53 -1.08 0.30 -4.64 116.67 120.80 3b3m s ASP 314 Ca -0.13 -0.01 0.00 0.00 -0.52 0.00 0.00 52.55 51.89 3b3m s ASP 314 Cb -0.17 -1.96 0.00 0.00 -1.46 0.00 0.00 42.92 39.33 3b3m s ASP 314 CO 0.05 0.10 0.00 0.35 0.52 0.00 0.00 175.17 176.19 3b3m n THR 315 N 4.01 0.00 0.02 1.71 -2.24 0.76 -2.25 114.28 116.30 3b3m n THR 315 Ca -0.16 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.76 3b3m n THR 315 Cb 0.52 0.21 0.60 0.00 -2.10 0.00 0.00 70.33 69.57 3b3m n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3b3m h LEU 316 N 0.00 0.14 -2.06 3.22 5.85 -1.16 -1.50 115.31 119.80 3b3m h LEU 316 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3b3m h LEU 316 Cb 0.17 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3b3m h LEU 316 CO 0.00 0.09 0.14 1.12 -0.34 0.00 0.00 178.44 179.45 3b3m h HIS 317 N 0.16 0.00 0.00 1.25 2.07 -1.84 -0.13 115.15 116.66 3b3m h HIS 317 Ca 0.21 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.68 3b3m h HIS 317 Cb 0.60 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.58 3b3m h HIS 317 CO -0.00 0.00 -0.21 -0.07 -3.07 0.00 0.00 177.93 174.58 3b3m h LEU 318 N 0.00 0.00 -0.46 6.12 3.38 -1.63 -2.08 115.31 120.65 3b3m h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3b3m h LEU 318 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3b3m h LEU 318 CO 0.00 0.21 -0.02 0.29 0.09 0.00 0.00 178.44 179.01 3b3m n LYS 319 N -3.54 1.23 -2.40 1.13 4.76 -0.06 -4.85 118.16 114.43 3b3m n LYS 319 Ca -0.01 -0.46 -0.42 0.00 -2.87 0.00 0.00 58.31 54.56 3b3m n LYS 319 Cb 0.36 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 3b3m n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3b3m s SER 320 N -2.08 7.05 -0.09 4.39 0.15 -0.78 -4.89 113.70 117.44 3b3m s SER 320 Ca 0.40 2.01 -0.06 0.00 0.70 0.00 0.00 55.95 59.00 3b3m s SER 320 Cb 0.21 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 3b3m s SER 320 CO 0.37 -0.51 -0.15 0.35 1.20 0.00 0.00 173.24 174.50 3b3m n THR 321 N 4.08 0.86 -1.24 6.45 -2.24 -1.24 -5.03 114.28 115.92 3b3m n THR 321 Ca 0.10 -0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.49 3b3m n THR 321 Cb 0.46 -1.74 0.09 0.00 -2.10 0.00 0.00 70.33 67.04 3b3m n THR 321 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3b3m n LEU 322 N -3.64 2.09 -4.89 3.22 4.77 -1.26 -5.00 117.00 112.29 3b3m n LEU 322 Ca -0.18 0.60 -0.29 0.00 -0.03 0.00 0.00 56.01 56.11 3b3m n LEU 322 Cb 0.53 -1.31 0.02 0.00 -2.33 0.00 0.00 43.42 40.33 3b3m n LEU 322 CO 0.04 -2.62 0.62 -1.61 -1.33 0.00 0.00 177.39 172.49 3b3m s GLU 323 N -3.17 3.24 -0.10 3.23 2.02 -1.26 -4.58 118.70 118.08 3b3m s GLU 323 Ca 0.68 0.37 0.14 0.00 0.02 0.00 0.00 54.97 56.18 3b3m s GLU 323 Cb -0.33 -2.18 -0.20 0.00 0.10 0.00 0.00 34.13 31.52 3b3m s GLU 323 CO 0.55 -0.63 0.15 0.25 0.02 0.00 0.00 175.26 175.60 3b3m n THR 324 N -2.66 0.66 0.00 3.63 -2.24 -1.26 -4.83 114.28 107.58 3b3m n THR 324 Ca 0.05 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3b3m n THR 324 Cb 0.56 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3b3m n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b3m n GLY 325 N 1.95 2.35 3.94 3.38 0.00 -1.26 -4.90 105.19 110.65 3b3m n GLY 325 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 3b3m n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3m s THR 327 N -2.57 0.09 -1.00 0.00 -4.23 -0.26 -4.98 115.64 102.70 3b3m s THR 327 Ca 0.46 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.05 3b3m s THR 327 Cb -0.10 -2.50 0.07 0.00 1.34 0.00 0.00 72.50 71.31 3b3m s THR 327 CO 0.39 0.00 1.26 -0.62 -0.54 0.00 0.00 174.62 175.11 3b3m n GLU 328 N -0.53 0.00 -0.00 3.99 4.71 -1.26 -2.65 120.64 124.90 3b3m n GLU 328 Ca 0.04 0.36 0.03 0.00 -0.01 0.00 0.00 57.16 57.59 3b3m n GLU 328 Cb 0.64 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.52 3b3m n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3b3m n HIS 329 N -1.50 0.00 -3.69 -0.32 8.25 -1.26 -5.02 115.22 111.68 3b3m n HIS 329 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 3b3m n HIS 329 Cb 0.09 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 3b3m n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3b3m s ILE 330 N -1.88 -0.02 -0.23 1.59 2.07 -1.08 -5.13 121.20 116.51 3b3m s ILE 330 Ca 0.01 0.08 -0.12 0.00 -1.41 0.00 0.00 60.65 59.21 3b3m s ILE 330 Cb 0.05 -0.64 -0.05 0.00 0.13 0.00 0.00 42.46 41.95 3b3m s ILE 330 CO 0.30 0.03 0.23 0.00 -1.91 0.00 0.00 174.94 173.59 3b3m n MET 332 N 4.38 2.41 0.19 0.00 0.00 -1.26 -4.74 117.12 118.10 3b3m n MET 332 Ca -0.13 -3.08 0.18 0.00 0.00 0.00 0.00 57.70 54.67 3b3m n MET 332 Cb 0.52 -1.99 0.82 0.00 0.00 0.00 0.00 33.22 32.56 3b3m n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3b3m h GLY 333 N 1.38 0.00 -2.03 3.03 0.00 -1.93 -1.53 103.07 101.99 3b3m h GLY 333 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3b3m h GLY 333 CO 0.64 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.04 3b3m n SER 334 N -3.62 3.37 -4.70 0.19 3.41 -1.26 -4.82 113.62 106.20 3b3m n SER 334 Ca 0.03 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.26 3b3m n SER 334 Cb 0.41 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 3b3m n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b3m s ILE 335 N -1.11 4.86 0.08 -1.33 -1.09 -0.58 -4.96 121.20 117.07 3b3m s ILE 335 Ca 0.36 1.93 -0.21 0.00 -2.23 0.00 0.00 60.65 60.49 3b3m s ILE 335 Cb 0.19 -4.26 -0.11 0.00 -1.58 0.00 0.00 42.46 36.71 3b3m s ILE 335 CO 0.26 0.09 1.63 -0.03 -1.23 0.00 0.00 174.94 175.66 3b3m h MET 336 N 6.99 0.21 -2.66 2.79 4.05 -1.92 -3.37 114.93 121.02 3b3m h MET 336 Ca -0.35 -0.03 -0.60 0.00 -0.28 0.00 0.00 59.70 58.43 3b3m h MET 336 Cb 1.18 -0.04 -0.40 0.00 -0.80 0.00 0.00 31.60 31.54 3b3m h MET 336 CO 0.81 0.28 -0.79 1.28 0.23 0.00 0.00 176.91 178.72 3b3m n LEU 337 N -4.89 1.29 0.07 3.39 4.77 -1.26 -5.15 117.00 115.21 3b3m n LEU 337 Ca -0.05 -4.81 0.08 0.00 -0.03 0.00 0.00 56.01 51.20 3b3m n LEU 337 Cb 0.11 -0.08 0.53 0.00 -2.33 0.00 0.00 43.42 41.64 3b3m n LEU 337 CO 0.34 1.83 1.14 -0.65 -1.33 0.00 0.00 177.39 178.72 3b3m h PRO 338 N 5.39 0.30 -6.04 3.23 0.11 -1.91 -3.54 132.00 129.54 3b3m h PRO 338 Ca 0.21 -0.02 -0.81 0.00 0.11 0.00 0.00 66.00 65.49 3b3m h PRO 338 Cb 0.83 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3b3m h PRO 338 CO 0.55 0.20 0.88 1.55 -0.21 0.00 0.00 178.00 180.97 3b3m n VAL 348 N -4.49 0.11 -1.96 3.15 3.14 -1.26 -4.95 118.33 112.07 3b3m n VAL 348 Ca 0.03 -0.03 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 3b3m n VAL 348 Cb 0.16 -0.79 0.13 0.00 -1.06 0.00 0.00 33.84 32.28 3b3m n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3b3m s ARG 349 N 3.76 1.46 0.14 1.45 0.52 -1.26 -5.10 118.95 119.91 3b3m s ARG 349 Ca 1.05 -0.16 0.07 0.00 -0.52 0.00 0.00 55.73 56.18 3b3m s ARG 349 Cb -1.33 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 3b3m s ARG 349 CO 0.73 -1.88 -0.05 0.99 0.02 0.00 0.00 175.30 175.11 3b3m s THR 350 N -3.66 3.56 0.29 0.02 2.01 -1.26 -5.00 115.64 111.59 3b3m s THR 350 Ca 0.67 -1.34 0.04 0.00 0.31 0.00 0.00 61.69 61.36 3b3m s THR 350 Cb -0.08 -2.73 0.28 0.00 0.01 0.00 0.00 72.50 69.98 3b3m s THR 350 CO 0.50 0.00 1.74 0.11 -0.69 0.00 0.00 174.62 176.29 3b3m h LYS 351 N 3.17 0.58 -0.08 4.92 1.57 -1.93 0.42 116.57 125.22 3b3m h LYS 351 Ca -0.48 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.29 3b3m h LYS 351 Cb 1.18 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 3b3m h LYS 351 CO 0.56 0.38 -0.42 0.22 -0.57 0.00 0.00 179.45 179.61 3b3m h ASP 352 N 0.60 -1.33 1.34 0.86 3.58 -1.98 -2.59 116.42 116.89 3b3m h ASP 352 Ca 0.55 0.16 0.00 0.00 0.42 0.00 0.00 57.03 58.15 3b3m h ASP 352 Cb 0.91 0.52 0.00 0.00 1.72 0.00 0.00 39.33 42.48 3b3m h ASP 352 CO -0.43 -0.39 0.00 0.06 -2.88 0.00 0.00 179.24 175.61 3b3m h GLN 353 N -0.47 0.00 0.02 0.28 3.07 -1.75 -3.36 115.11 112.90 3b3m h GLN 353 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.65 3b3m h GLN 353 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.11 3b3m h GLN 353 CO -0.32 0.00 -0.44 1.25 0.09 0.00 0.00 178.83 179.40 3b3m h LEU 354 N 0.00 0.36 -0.96 0.06 5.85 -0.56 -3.31 115.31 116.74 3b3m h LEU 354 Ca 0.00 -0.81 0.08 0.00 0.84 0.00 0.00 57.88 57.99 3b3m h LEU 354 Cb 0.67 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 3b3m h LEU 354 CO 0.00 1.12 0.61 0.15 -0.34 0.00 0.00 178.44 179.98 3b3m h PHE 355 N -0.37 1.13 -0.09 1.25 3.57 -1.65 0.11 116.94 120.90 3b3m h PHE 355 Ca -0.06 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.40 3b3m h PHE 355 Cb 1.21 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3b3m h PHE 355 CO 0.18 0.55 -0.26 -1.00 -2.23 0.00 0.00 178.31 175.55 3b3m h PRO 356 N 1.08 0.15 -0.19 6.41 0.13 -1.78 0.27 132.00 138.07 3b3m h PRO 356 Ca 0.43 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 65.36 3b3m h PRO 356 Cb 0.24 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 3b3m h PRO 356 CO -0.19 0.41 -0.51 -0.07 -0.23 0.00 0.00 178.00 177.40 3b3m h LEU 357 N 0.14 0.59 -0.23 1.56 3.38 -1.20 -0.97 115.31 118.58 3b3m h LEU 357 Ca 0.02 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 3b3m h LEU 357 Cb 0.54 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3b3m h LEU 357 CO 0.04 0.99 -0.24 0.00 0.09 0.00 0.00 178.44 179.32 3b3m h ALA 358 N 1.02 0.34 -0.29 1.53 0.00 -0.22 -2.70 119.26 118.95 3b3m h ALA 358 Ca 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3b3m h ALA 358 Cb 1.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3b3m h ALA 358 CO 0.10 0.31 0.16 -0.22 0.00 0.00 0.00 179.25 179.59 3b3m h LYS 359 N 0.27 0.40 -0.47 0.00 3.64 -0.33 0.29 116.57 120.37 3b3m h LYS 359 Ca 0.04 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3b3m h LYS 359 Cb 0.80 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 3b3m h LYS 359 CO 0.06 0.35 0.29 0.93 -2.27 0.00 0.00 179.45 178.82 3b3m h GLU 360 N 0.35 0.58 0.00 1.90 5.08 -1.22 0.15 114.58 121.41 3b3m h GLU 360 Ca 0.10 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3b3m h GLU 360 Cb 0.07 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3b3m h GLU 360 CO -0.02 0.38 -0.00 0.35 -1.00 0.00 0.00 179.01 178.72 3b3m h PHE 361 N 0.59 -0.01 -0.46 4.33 3.57 -1.29 -1.33 116.94 122.35 3b3m h PHE 361 Ca 0.18 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3b3m h PHE 361 Cb -0.02 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3b3m h PHE 361 CO -0.06 0.12 0.19 -0.07 -2.23 0.00 0.00 178.31 176.26 3b3m h LEU 362 N -0.13 0.59 -0.45 0.59 3.38 -0.67 0.36 115.31 118.98 3b3m h LEU 362 Ca -0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3b3m h LEU 362 Cb 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3b3m h LEU 362 CO 0.00 0.54 0.16 0.44 0.09 0.00 0.00 178.44 179.67 3b3m h ASP 363 N 0.65 0.64 -0.38 -0.43 3.45 -0.50 0.23 116.42 120.09 3b3m h ASP 363 Ca 0.16 -0.19 -0.04 0.00 0.43 0.00 0.00 57.03 57.40 3b3m h ASP 363 Cb 0.13 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 3b3m h ASP 363 CO -0.02 0.66 0.10 1.56 -1.57 0.00 0.00 179.24 179.97 3b3m h GLN 364 N 0.59 0.60 0.08 3.56 4.20 -0.22 -0.13 115.11 123.79 3b3m h GLN 364 Ca 0.15 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3b3m h GLN 364 Cb 0.23 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3b3m h GLN 364 CO -0.01 0.63 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.83 3b3m h TYR 365 N 0.47 -0.10 0.00 2.96 3.20 -0.09 -1.02 116.97 122.39 3b3m h TYR 365 Ca 0.12 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 3b3m h TYR 365 Cb 0.30 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 3b3m h TYR 365 CO 0.02 -0.01 -0.27 1.88 -1.64 0.00 0.00 178.16 178.14 3b3m h TYR 366 N -0.16 0.00 -0.25 -3.82 -1.99 -0.42 -2.38 116.97 107.95 3b3m h TYR 366 Ca -0.01 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.64 3b3m h TYR 366 Cb 0.13 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 3b3m h TYR 366 CO -0.06 0.27 -0.14 0.77 -0.00 0.00 0.00 178.16 179.00 3b3m h SER 367 N 0.00 0.55 -0.80 3.88 0.02 -0.79 0.06 113.55 116.48 3b3m h SER 367 Ca -0.00 -0.42 0.14 0.00 -0.84 0.00 0.00 61.79 60.66 3b3m h SER 367 Cb 0.49 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.82 3b3m h SER 367 CO 0.03 0.86 0.52 0.77 -1.14 0.00 0.00 176.83 177.88 3b3m h SER 368 N 0.25 0.51 -0.57 3.07 4.64 -0.70 0.12 113.55 120.88 3b3m h SER 368 Ca 0.05 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3b3m h SER 368 Cb 0.66 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3b3m h SER 368 CO 0.04 0.27 0.00 2.30 -0.87 0.00 0.00 176.83 178.57 3b3m n ILE 369 N -4.51 1.21 -3.61 0.95 -5.35 -0.99 -4.95 119.36 102.11 3b3m n ILE 369 Ca 0.15 -0.90 -0.20 0.00 -0.27 0.00 0.00 62.75 61.53 3b3m n ILE 369 Cb 0.47 0.20 0.05 0.00 -1.74 0.00 0.00 39.64 38.63 3b3m n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3b3m n LYS 370 N 1.06 -5.65 -0.54 6.28 5.02 0.43 -4.89 118.16 119.87 3b3m n LYS 370 Ca 0.21 0.71 0.01 0.00 -2.02 0.00 0.00 58.31 57.22 3b3m n LYS 370 Cb 0.65 -5.46 0.02 0.00 -0.02 0.00 0.00 35.03 30.22 3b3m n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3b3m n ARG 371 N -4.26 0.12 -1.77 1.97 5.12 -0.02 -5.04 116.66 112.79 3b3m n ARG 371 Ca -0.27 -1.23 -0.42 0.00 -1.93 0.00 0.00 57.85 54.00 3b3m n ARG 371 Cb 0.67 -0.56 -0.02 0.00 -1.16 0.00 0.00 32.46 31.39 3b3m n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3b3m s PHE 372 N -0.27 2.84 0.00 -1.55 5.36 -1.03 -1.07 117.98 122.26 3b3m s PHE 372 Ca 0.06 0.58 0.00 0.00 -0.96 0.00 0.00 56.93 56.61 3b3m s PHE 372 Cb 0.06 -4.09 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 3b3m s PHE 372 CO -0.01 -3.89 0.00 0.41 -1.46 0.00 0.00 175.22 170.27 3b3m n GLY 373 N 3.07 2.05 3.57 13.12 0.00 -1.26 -5.01 105.19 120.73 3b3m n GLY 373 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3b3m n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b3m s SER 374 N -3.52 1.72 0.17 1.61 1.04 -0.23 -4.73 113.70 109.76 3b3m s SER 374 Ca 0.00 1.41 -0.10 0.00 0.48 0.00 0.00 55.95 57.74 3b3m s SER 374 Cb 0.00 -2.14 0.06 0.00 0.10 0.00 0.00 66.02 64.04 3b3m s SER 374 CO 0.00 -3.72 1.65 0.50 0.98 0.00 0.00 173.24 172.64 3b3m h LYS 375 N -2.30 1.02 -0.45 4.02 3.64 -1.95 -0.91 116.57 119.64 3b3m h LYS 375 Ca -0.58 -0.30 0.04 0.00 -1.27 0.00 0.00 60.65 58.55 3b3m h LYS 375 Cb 1.33 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 3b3m h LYS 375 CO 0.53 0.98 0.20 0.00 -2.27 0.00 0.00 179.45 178.89 3b3m h ALA 376 N 1.00 0.55 0.15 5.00 0.00 -1.91 0.19 119.26 124.25 3b3m h ALA 376 Ca 0.17 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3b3m h ALA 376 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3b3m h ALA 376 CO 0.02 -0.17 -0.16 1.25 0.00 0.00 0.00 179.25 180.19 3b3m h HIS 377 N 0.40 -0.42 -0.82 0.00 -0.00 -1.70 -0.91 115.15 111.71 3b3m h HIS 377 Ca 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.56 3b3m h HIS 377 Cb 0.14 0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.68 3b3m h HIS 377 CO -0.12 -0.24 0.45 0.52 -0.00 0.00 0.00 177.93 178.54 3b3m h MET 378 N -0.35 1.15 -0.68 5.26 2.07 -0.71 -1.82 114.93 119.85 3b3m h MET 378 Ca 0.01 -0.13 -0.03 0.00 -2.07 0.00 0.00 59.70 57.47 3b3m h MET 378 Cb 0.34 -0.22 -0.03 0.00 -1.87 0.00 0.00 31.60 29.81 3b3m h MET 378 CO -0.05 0.84 0.30 -0.44 1.07 0.00 0.00 176.91 178.63 3b3m h ASP 379 N 1.14 0.92 -0.47 1.22 3.32 -0.45 -1.10 116.42 121.00 3b3m h ASP 379 Ca 0.29 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3b3m h ASP 379 Cb 0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3b3m h ASP 379 CO -0.05 0.82 0.24 -0.09 -1.72 0.00 0.00 179.24 178.44 3b3m h ARG 380 N 0.96 0.67 -0.57 3.56 9.65 -0.82 0.49 114.38 128.31 3b3m h ARG 380 Ca 0.23 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 3b3m h ARG 380 Cb 0.17 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.60 3b3m h ARG 380 CO -0.02 0.55 0.32 -0.07 2.80 0.00 0.00 179.97 183.54 3b3m h LEU 381 N 0.62 0.71 -0.41 3.80 3.38 -1.11 0.95 115.31 123.25 3b3m h LEU 381 Ca 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3b3m h LEU 381 Cb 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3b3m h LEU 381 CO -0.02 0.59 0.13 -0.08 0.09 0.00 0.00 178.44 179.15 3b3m h GLU 382 N 0.77 0.63 -0.15 1.13 4.81 -0.85 0.23 114.58 121.15 3b3m h GLU 382 Ca 0.20 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3b3m h GLU 382 Cb 0.04 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3b3m h GLU 382 CO -0.03 0.62 -0.03 1.49 -0.73 0.00 0.00 179.01 180.33 3b3m h GLU 383 N 0.51 0.01 -0.55 1.92 4.81 0.46 -0.38 114.58 121.36 3b3m h GLU 383 Ca 0.13 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3b3m h GLU 383 Cb 0.25 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3b3m h GLU 383 CO -0.00 0.01 0.24 0.28 -0.73 0.00 0.00 179.01 178.80 3b3m h VAL 384 N 0.01 1.21 0.25 0.32 2.07 -0.71 0.04 116.25 119.45 3b3m h VAL 384 Ca 0.07 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3b3m h VAL 384 Cb 0.10 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3b3m h VAL 384 CO -0.15 0.25 -0.41 -1.13 0.02 0.00 0.00 177.57 176.15 3b3m h ASN 385 N 0.75 -1.16 -0.97 0.57 -0.00 -0.58 0.24 115.58 114.41 3b3m h ASN 385 Ca 0.19 0.12 0.11 0.00 -0.00 0.00 0.00 56.30 56.71 3b3m h ASN 385 Cb 0.16 0.41 -0.08 0.00 -0.00 0.00 0.00 38.32 38.82 3b3m h ASN 385 CO -0.02 -0.52 0.62 0.11 -0.00 0.00 0.00 177.43 177.62 3b3m h LYS 386 N -0.73 0.94 -0.46 6.67 1.57 -0.91 -1.37 116.57 122.29 3b3m h LYS 386 Ca -0.00 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3b3m h LYS 386 Cb 0.70 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3b3m h LYS 386 CO -0.16 0.62 0.02 1.49 -0.57 0.00 0.00 179.45 180.86 3b3m h GLU 387 N 0.97 0.80 0.03 3.15 4.81 -0.06 -1.36 114.58 122.92 3b3m h GLU 387 Ca 0.47 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3b3m h GLU 387 Cb 0.45 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3b3m h GLU 387 CO -0.23 0.84 -0.02 0.82 -0.73 0.00 0.00 179.01 179.69 3b3m h ILE 388 N 0.65 1.11 -0.64 2.32 2.04 0.30 0.58 117.51 123.86 3b3m h ILE 388 Ca 0.13 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3b3m h ILE 388 Cb 0.46 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3b3m h ILE 388 CO 0.02 0.11 0.33 1.05 0.00 0.00 0.00 178.15 179.67 3b3m h GLU 389 N -0.24 0.89 0.06 2.37 4.11 -1.29 1.08 114.58 121.57 3b3m h GLU 389 Ca -0.00 -0.10 -0.22 0.00 0.07 0.00 0.00 59.36 59.10 3b3m h GLU 389 Cb 0.22 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 29.31 3b3m h GLU 389 CO 0.01 0.67 -0.92 1.03 0.07 0.00 0.00 179.01 179.87 3b3m h SER 390 N 0.90 0.70 -0.01 3.06 0.87 -1.06 -3.39 113.55 114.62 3b3m h SER 390 Ca 0.23 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 3b3m h SER 390 Cb 0.05 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3b3m h SER 390 CO -0.03 1.43 0.00 0.35 -0.53 0.00 0.00 176.83 178.04 3b3m n THR 391 N -4.01 0.03 -0.87 2.23 -2.24 0.20 -5.00 114.28 104.62 3b3m n THR 391 Ca -0.12 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3b3m n THR 391 Cb 0.83 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 3b3m n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3b3m n SER 392 N 0.21 -0.78 -0.41 3.42 7.64 0.37 -4.89 113.62 119.18 3b3m n SER 392 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 3b3m n SER 392 Cb 0.10 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 3b3m n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3b3m n THR 393 N -2.13 0.00 -3.54 0.44 5.66 -1.25 -4.68 114.28 108.79 3b3m n THR 393 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 3b3m n THR 393 Cb 0.03 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.79 3b3m n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3b3m s TYR 394 N -4.81 -0.35 -0.11 1.09 -0.85 -1.26 -2.55 117.35 108.51 3b3m s TYR 394 Ca 0.00 0.16 -0.03 0.00 -0.52 0.00 0.00 57.07 56.68 3b3m s TYR 394 Cb 0.00 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.87 3b3m s TYR 394 CO 0.00 -0.67 0.01 -0.65 -1.52 0.00 0.00 175.55 172.71 3b3m s GLN 395 N -3.30 3.28 0.37 -3.49 -1.52 -1.26 -5.05 119.66 108.69 3b3m s GLN 395 Ca 0.05 -0.41 -0.24 0.00 -1.95 0.00 0.00 55.36 52.82 3b3m s GLN 395 Cb -0.01 -2.89 -0.10 0.00 -0.22 0.00 0.00 33.01 29.78 3b3m s GLN 395 CO -0.08 0.55 0.95 -0.51 -0.25 0.00 0.00 175.29 175.95 3b3m s LEU 396 N -0.46 4.16 0.62 2.90 1.43 -1.26 -5.04 118.68 121.02 3b3m s LEU 396 Ca 0.08 1.77 -0.13 0.00 -1.03 0.00 0.00 54.13 54.82 3b3m s LEU 396 Cb -0.12 -4.26 -0.03 0.00 0.03 0.00 0.00 46.19 41.81 3b3m s LEU 396 CO 0.02 -0.20 1.04 -0.54 0.23 0.00 0.00 176.35 176.90 3b3m s LYS 397 N -2.57 3.38 0.21 1.70 -0.14 -1.26 -4.84 119.74 116.22 3b3m s LYS 397 Ca 0.56 0.97 -0.10 0.00 -1.36 0.00 0.00 55.97 56.04 3b3m s LYS 397 Cb -0.14 -2.05 0.29 0.00 -1.68 0.00 0.00 37.83 34.24 3b3m s LYS 397 CO 0.19 -0.75 1.72 -0.44 -0.76 0.00 0.00 175.35 175.31 3b3m h ASP 398 N -0.01 0.07 -0.82 2.83 3.32 -1.99 -0.89 116.42 118.93 3b3m h ASP 398 Ca -0.45 0.10 0.05 0.00 0.02 0.00 0.00 57.03 56.75 3b3m h ASP 398 Cb 1.20 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.82 3b3m h ASP 398 CO 0.59 0.05 0.51 0.71 -1.72 0.00 0.00 179.24 179.38 3b3m h THR 399 N 0.30 1.07 -0.43 0.35 1.35 -2.00 -0.96 112.91 112.59 3b3m h THR 399 Ca 0.31 -0.33 -0.10 0.00 -0.55 0.00 0.00 66.41 65.74 3b3m h THR 399 Cb 0.44 0.03 -0.02 0.00 -1.73 0.00 0.00 68.15 66.87 3b3m h THR 399 CO -0.37 0.17 -0.15 -0.33 -0.25 0.00 0.00 175.52 174.60 3b3m h GLU 400 N 0.95 0.81 -0.23 4.72 5.08 -1.69 -1.27 114.58 122.96 3b3m h GLU 400 Ca 0.35 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3b3m h GLU 400 Cb 0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3b3m h GLU 400 CO -0.15 0.91 0.10 1.25 -1.00 0.00 0.00 179.01 180.12 3b3m h LEU 401 N 0.72 0.31 -0.23 1.33 5.85 -0.30 0.27 115.31 123.25 3b3m h LEU 401 Ca 0.11 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3b3m h LEU 401 Cb 0.65 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3b3m h LEU 401 CO 0.05 0.37 0.13 0.40 -0.34 0.00 0.00 178.44 179.05 3b3m h ILE 402 N 0.22 1.11 -0.53 4.05 2.04 -1.06 0.71 117.51 124.05 3b3m h ILE 402 Ca 0.08 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3b3m h ILE 402 Cb 0.15 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3b3m h ILE 402 CO -0.01 0.11 0.33 0.22 0.00 0.00 0.00 178.15 178.81 3b3m h TYR 403 N 0.27 0.68 -0.21 1.37 3.20 -1.15 -1.28 116.97 119.86 3b3m h TYR 403 Ca 0.08 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3b3m h TYR 403 Cb 0.06 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3b3m h TYR 403 CO -0.04 0.45 0.13 0.78 -1.64 0.00 0.00 178.16 177.84 3b3m h GLY 404 N 0.71 0.30 0.95 1.82 0.00 0.01 -1.25 103.07 105.61 3b3m h GLY 404 Ca 0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3b3m h GLY 404 CO -0.04 0.11 0.16 0.00 0.00 0.00 0.00 176.54 176.78 3b3m h ALA 405 N 1.06 0.57 -0.56 3.60 0.00 -0.73 -1.24 119.26 121.96 3b3m h ALA 405 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3b3m h ALA 405 Cb -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3b3m h ALA 405 CO -0.02 0.19 0.35 0.87 0.00 0.00 0.00 179.25 180.64 3b3m h LYS 406 N 0.57 0.74 0.01 0.00 1.57 -1.10 -2.67 116.57 115.68 3b3m h LYS 406 Ca 0.14 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.67 3b3m h LYS 406 Cb 0.22 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3b3m h LYS 406 CO -0.01 0.51 -0.94 0.45 -0.57 0.00 0.00 179.45 178.90 3b3m h HIS 407 N 0.76 0.05 -0.98 -1.35 3.86 -0.80 -0.98 115.15 115.70 3b3m h HIS 407 Ca 0.20 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3b3m h HIS 407 Cb -0.05 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.37 3b3m h HIS 407 CO 0.00 0.95 0.64 0.00 0.86 0.00 0.00 177.93 180.38 3b3m h ALA 408 N 1.04 1.28 0.03 2.45 0.00 -0.92 0.51 119.26 123.65 3b3m h ALA 408 Ca -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3b3m h ALA 408 Cb 1.64 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3b3m h ALA 408 CO 0.13 0.66 -0.02 2.35 0.00 0.00 0.00 179.25 182.37 3b3m h TRP 409 N 1.34 -0.04 -0.95 0.00 7.01 -1.37 -1.89 115.95 120.05 3b3m h TRP 409 Ca 0.36 -0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.54 3b3m h TRP 409 Cb -0.14 0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 26.85 3b3m h TRP 409 CO 0.00 0.38 0.61 -0.09 -2.79 0.00 0.00 178.44 176.54 3b3m h ARG 410 N -0.47 0.64 -0.01 2.65 2.43 -0.49 -0.46 114.38 118.68 3b3m h ARG 410 Ca -0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3b3m h ARG 410 Cb 0.43 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3b3m h ARG 410 CO 0.01 0.42 -0.10 0.09 -1.51 0.00 0.00 179.97 178.88 3b3m n ASN 411 N -4.63 0.80 -4.55 -3.80 3.02 0.17 -4.81 115.26 101.46 3b3m n ASN 411 Ca 0.20 -0.93 -0.36 0.00 -0.03 0.00 0.00 54.58 53.46 3b3m n ASN 411 Cb 0.57 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.71 3b3m n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b3m s ALA 412 N -2.30 2.18 0.22 5.41 0.00 -0.18 -4.68 121.76 122.41 3b3m s ALA 412 Ca 0.33 -1.05 0.35 0.00 0.00 0.00 0.00 51.96 51.59 3b3m s ALA 412 Cb 0.20 -4.37 1.75 0.00 0.00 0.00 0.00 23.12 20.71 3b3m s ALA 412 CO 0.43 -3.99 2.06 0.66 0.00 0.00 0.00 175.76 174.93 3b3m h SER 413 N 13.07 0.00 0.01 0.00 4.64 -1.87 -2.03 113.55 127.36 3b3m h SER 413 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3b3m h SER 413 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3b3m h SER 413 CO 1.24 0.00 -0.03 0.54 -0.87 0.00 0.00 176.83 177.71 3b3m n ARG 414 N -2.83 1.63 -3.40 4.77 1.74 -1.26 -0.33 116.66 116.98 3b3m n ARG 414 Ca -0.01 -1.00 -0.40 0.00 -0.77 0.00 0.00 57.85 55.66 3b3m n ARG 414 Cb 0.14 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 3b3m n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3b3m n VAL 416 N 5.22 0.00 -0.36 0.00 3.14 -1.26 -3.73 118.33 121.34 3b3m n VAL 416 Ca -0.09 -0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.36 3b3m n VAL 416 Cb 0.50 -0.38 0.32 0.00 -1.06 0.00 0.00 33.84 33.22 3b3m n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3b3m n GLY 417 N 1.45 2.43 0.04 7.55 0.00 -1.26 -4.49 105.19 110.91 3b3m n GLY 417 Ca 0.09 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.41 3b3m n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b3m n ARG 418 N 0.84 0.04 0.33 1.61 1.74 -1.24 -2.18 116.66 117.79 3b3m n ARG 418 Ca 0.22 0.48 0.21 0.00 -0.77 0.00 0.00 57.85 58.00 3b3m n ARG 418 Cb 0.85 -1.62 1.15 0.00 -1.02 0.00 0.00 32.46 31.82 3b3m n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3b3m h ILE 419 N 0.00 0.13 -0.11 0.55 2.10 -1.90 -0.43 117.51 117.86 3b3m h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3b3m h ILE 419 Cb 0.06 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 3b3m h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3b3m n GLN 420 N -3.27 1.77 -0.34 2.19 1.13 -0.93 -4.65 117.38 113.28 3b3m n GLN 420 Ca -0.03 -1.14 0.16 0.00 -1.94 0.00 0.00 57.00 54.04 3b3m n GLN 420 Cb 0.08 -1.44 0.36 0.00 0.11 0.00 0.00 30.24 29.35 3b3m n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3b3m h TRP 421 N 2.50 0.99 0.00 1.08 5.08 -1.28 -1.41 115.95 122.91 3b3m h TRP 421 Ca 0.00 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.01 3b3m h TRP 421 Cb 0.54 -0.28 0.00 0.00 -3.00 0.00 0.00 29.16 26.41 3b3m h TRP 421 CO 0.07 0.10 0.00 -1.13 -1.28 0.00 0.00 178.44 176.20 3b3m n SER 422 N -4.87 0.24 -1.40 0.11 3.41 -1.26 -3.44 113.62 106.41 3b3m n SER 422 Ca 0.25 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.48 3b3m n SER 422 Cb 0.68 -0.60 0.31 0.00 -0.26 0.00 0.00 64.21 64.34 3b3m n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3b3m n LYS 423 N -1.75 3.35 -2.11 4.33 5.02 -0.53 -4.97 118.16 121.50 3b3m n LYS 423 Ca 0.04 -2.43 -0.42 0.00 -2.02 0.00 0.00 58.31 53.48 3b3m n LYS 423 Cb 0.26 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 3b3m n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3b3m s LEU 424 N -1.65 4.36 -0.25 -0.35 2.96 -1.22 -4.74 118.68 117.80 3b3m s LEU 424 Ca 0.44 2.38 -0.20 0.00 -0.22 0.00 0.00 54.13 56.52 3b3m s LEU 424 Cb 0.28 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.37 3b3m s LEU 424 CO 0.21 -0.71 0.60 -1.58 -1.32 0.00 0.00 176.35 173.55 3b3m s GLN 425 N 1.37 4.11 -0.27 1.98 2.00 -0.93 -4.98 119.66 122.94 3b3m s GLN 425 Ca 0.66 0.50 -0.09 0.00 -2.00 0.00 0.00 55.36 54.43 3b3m s GLN 425 Cb -0.38 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 29.75 3b3m s GLN 425 CO 0.30 -0.38 0.13 0.08 -0.50 0.00 0.00 175.29 174.92 3b3m s VAL 426 N 2.40 4.81 -0.30 1.34 1.01 -1.26 -0.90 120.40 127.49 3b3m s VAL 426 Ca 0.25 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 3b3m s VAL 426 Cb -0.16 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3b3m s VAL 426 CO 0.09 0.27 0.19 -0.36 0.00 0.00 0.00 175.10 175.29 3b3m s PHE 427 N 1.68 3.21 -0.52 5.22 0.08 0.12 -4.98 117.98 122.79 3b3m s PHE 427 Ca 0.07 -0.10 -0.23 0.00 0.12 0.00 0.00 56.93 56.79 3b3m s PHE 427 Cb -0.16 -2.40 0.04 0.00 -0.57 0.00 0.00 43.02 39.94 3b3m s PHE 427 CO 0.07 -0.27 0.83 0.34 -0.10 0.00 0.00 175.22 176.10 3b3m s ASP 428 N 1.72 6.32 -0.31 1.36 3.68 -1.26 -0.86 116.67 127.32 3b3m s ASP 428 Ca 0.06 -0.45 0.08 0.00 2.13 0.00 0.00 52.55 54.38 3b3m s ASP 428 Cb -0.16 -2.39 0.51 0.00 -1.45 0.00 0.00 42.92 39.42 3b3m s ASP 428 CO 0.10 -1.09 1.48 0.00 0.13 0.00 0.00 175.17 175.79 3b3m n ALA 429 N 7.01 4.48 0.76 3.66 0.00 0.35 -4.69 120.51 132.07 3b3m n ALA 429 Ca -0.00 -3.21 0.09 0.00 0.00 0.00 0.00 53.44 50.32 3b3m n ALA 429 Cb 0.47 -0.76 0.43 0.00 0.00 0.00 0.00 19.45 19.58 3b3m n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b3m n ARG 430 N -1.10 0.15 0.00 0.00 1.74 -1.07 -1.74 116.66 114.63 3b3m n ARG 430 Ca 0.36 0.15 0.13 0.00 -0.77 0.00 0.00 57.85 57.72 3b3m n ARG 430 Cb 1.03 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 31.38 3b3m n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3b3m n ASP 431 N -1.38 1.86 -4.76 0.55 5.68 -1.26 -4.46 116.55 112.78 3b3m n ASP 431 Ca 0.07 -1.60 -0.41 0.00 -0.50 0.00 0.00 54.79 52.35 3b3m n ASP 431 Cb 0.17 0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 3b3m n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3b3m n THR 433 N 1.32 0.00 -4.37 0.00 -2.24 -1.26 -4.74 114.28 102.99 3b3m n THR 433 Ca 0.01 -0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.55 3b3m n THR 433 Cb 0.43 0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 69.00 3b3m n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3b3m s THR 434 N -1.32 1.08 0.31 4.28 -4.23 -1.26 -4.55 115.64 109.94 3b3m s THR 434 Ca 0.00 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 3b3m s THR 434 Cb 0.00 -2.53 0.18 0.00 1.34 0.00 0.00 72.50 71.49 3b3m s THR 434 CO 0.00 -0.18 1.88 0.00 -0.54 0.00 0.00 174.62 175.77 3b3m h ALA 435 N 2.33 1.32 -0.59 3.99 0.00 -1.88 0.43 119.26 124.87 3b3m h ALA 435 Ca -0.39 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 3b3m h ALA 435 Cb 1.23 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3b3m h ALA 435 CO 0.66 0.49 0.09 0.45 0.00 0.00 0.00 179.25 180.94 3b3m h HIS 436 N 0.75 1.00 -0.53 0.00 -0.00 -1.96 0.80 115.15 115.21 3b3m h HIS 436 Ca 0.17 -0.12 -0.04 0.00 -0.00 0.00 0.00 60.37 60.38 3b3m h HIS 436 Cb 0.22 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 3b3m h HIS 436 CO 0.01 0.85 0.18 0.78 -0.00 0.00 0.00 177.93 179.76 3b3m h GLY 437 N 1.02 0.87 1.00 2.45 0.00 -1.62 -1.69 103.07 105.10 3b3m h GLY 437 Ca 0.18 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3b3m h GLY 437 CO 0.01 0.47 0.34 -0.33 0.00 0.00 0.00 176.54 177.03 3b3m h MET 438 N 0.73 0.67 -0.49 4.80 0.00 -0.41 -1.64 114.93 118.58 3b3m h MET 438 Ca 0.17 -0.04 0.07 0.00 0.00 0.00 0.00 59.70 59.91 3b3m h MET 438 Cb 0.25 -0.15 -0.06 0.00 0.00 0.00 0.00 31.60 31.64 3b3m h MET 438 CO -0.01 0.44 0.13 0.35 0.00 0.00 0.00 176.91 177.83 3b3m h PHE 439 N 0.69 0.23 -0.31 -0.22 -0.00 -0.41 0.47 116.94 117.38 3b3m h PHE 439 Ca 0.19 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 58.18 3b3m h PHE 439 Cb -0.08 -0.03 -0.01 0.00 -0.00 0.00 0.00 35.95 35.83 3b3m h PHE 439 CO -0.04 0.04 0.17 -0.97 -0.00 0.00 0.00 178.31 177.52 3b3m h ASN 440 N 0.28 0.38 -0.72 0.41 -1.24 -0.89 -0.46 115.58 113.36 3b3m h ASN 440 Ca 0.24 -0.08 0.03 0.00 0.71 0.00 0.00 56.30 57.20 3b3m h ASN 440 Cb 0.29 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.20 3b3m h ASN 440 CO -0.28 0.35 0.45 1.88 -1.29 0.00 0.00 177.43 178.54 3b3m h TYR 441 N 0.39 0.84 -0.59 0.67 -1.99 -0.71 -1.74 116.97 113.84 3b3m h TYR 441 Ca 0.11 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.76 3b3m h TYR 441 Cb 0.05 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 38.48 3b3m h TYR 441 CO -0.03 0.48 -0.02 0.82 -0.00 0.00 0.00 178.16 179.40 3b3m h ILE 442 N 0.88 1.27 -0.52 -2.88 2.04 -0.57 -1.01 117.51 116.71 3b3m h ILE 442 Ca 0.29 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3b3m h ILE 442 Cb 0.02 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 3b3m h ILE 442 CO -0.11 0.42 0.32 0.00 0.00 0.00 0.00 178.15 178.79 3b3m h ASN 444 N 0.69 0.75 0.01 0.00 2.35 -0.99 -0.45 115.58 117.95 3b3m h ASN 444 Ca 0.19 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3b3m h ASN 444 Cb -0.04 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.14 3b3m h ASN 444 CO -0.04 0.72 -0.00 -0.74 -1.65 0.00 0.00 177.43 175.72 3b3m h HIS 445 N 0.80 -0.01 -0.70 1.19 -0.00 -0.66 -0.67 115.15 115.10 3b3m h HIS 445 Ca 0.18 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.58 3b3m h HIS 445 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 3b3m h HIS 445 CO 0.01 0.22 0.45 0.28 -0.00 0.00 0.00 177.93 178.90 3b3m h VAL 446 N -0.25 1.12 -0.30 5.26 2.07 -0.59 0.20 116.25 123.76 3b3m h VAL 446 Ca -0.00 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3b3m h VAL 446 Cb 0.24 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3b3m h VAL 446 CO 0.00 0.16 -0.04 0.50 0.02 0.00 0.00 177.57 178.21 3b3m h LYS 447 N 0.89 0.56 -0.21 1.57 3.64 -1.02 -1.07 116.57 120.93 3b3m h LYS 447 Ca 0.28 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3b3m h LYS 447 Cb -0.01 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3b3m h LYS 447 CO -0.09 0.73 0.10 -0.92 -2.27 0.00 0.00 179.45 177.00 3b3m h TYR 448 N 0.34 0.31 -0.67 1.91 3.20 -0.78 -1.36 116.97 119.92 3b3m h TYR 448 Ca 0.08 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 3b3m h TYR 448 Cb 0.51 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 3b3m h TYR 448 CO 0.05 0.33 0.11 0.00 -1.64 0.00 0.00 178.16 177.01 3b3m h ALA 449 N 0.95 0.88 -0.05 1.82 0.00 -0.59 -3.12 119.26 119.16 3b3m h ALA 449 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3b3m h ALA 449 Cb 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3b3m h ALA 449 CO -0.01 0.64 -0.00 1.15 0.00 0.00 0.00 179.25 181.03 3b3m h THR 450 N 1.02 1.26 -6.58 0.00 2.02 -1.12 0.11 112.91 109.62 3b3m h THR 450 Ca 0.20 -0.81 -0.52 0.00 0.77 0.00 0.00 66.41 66.05 3b3m h THR 450 Cb 0.43 1.72 -0.08 0.00 -1.74 0.00 0.00 68.15 68.48 3b3m h THR 450 CO 0.01 0.22 -0.90 -3.20 0.37 0.00 0.00 175.52 172.03 3b3m n ASN 451 N -4.87 -0.20 -1.90 4.18 5.15 -0.52 -0.40 115.26 116.70 3b3m n ASN 451 Ca -0.07 -1.04 -0.13 0.00 -0.60 0.00 0.00 54.58 52.73 3b3m n ASN 451 Cb 0.19 -2.86 -0.03 0.00 -0.53 0.00 0.00 39.78 36.56 3b3m n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3b3m n LYS 452 N -4.42 -1.72 0.00 1.20 5.02 -1.26 -1.48 118.16 115.50 3b3m n LYS 452 Ca -0.31 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 3b3m n LYS 452 Cb 0.68 -5.14 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 3b3m n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b3m n GLY 453 N -0.53 2.21 3.09 0.72 0.00 0.47 -4.91 105.19 106.23 3b3m n GLY 453 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3b3m n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3b3m n ASN 454 N 0.00 5.19 -4.61 1.61 4.05 -0.55 -1.00 115.26 119.94 3b3m n ASN 454 Ca 0.00 -3.07 -0.45 0.00 0.45 0.00 0.00 54.58 51.51 3b3m n ASN 454 Cb 0.00 -1.50 -0.02 0.00 1.23 0.00 0.00 39.78 39.49 3b3m n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3b3m n LEU 455 N 4.41 2.20 -4.05 1.20 4.32 -1.22 -4.53 117.00 119.33 3b3m n LEU 455 Ca 0.38 1.18 -0.25 0.00 -0.02 0.00 0.00 56.01 57.30 3b3m n LEU 455 Cb 0.38 -1.33 -0.16 0.00 -1.62 0.00 0.00 43.42 40.69 3b3m n LEU 455 CO 0.74 -1.13 -0.48 -0.13 -1.22 0.00 0.00 177.39 175.17 3b3m s ARG 456 N -1.33 1.70 0.34 3.23 0.52 0.38 -4.99 118.95 118.81 3b3m s ARG 456 Ca 0.61 -0.46 -0.28 0.00 -0.52 0.00 0.00 55.73 55.08 3b3m s ARG 456 Cb -0.69 -1.42 -0.10 0.00 0.52 0.00 0.00 34.95 33.25 3b3m s ARG 456 CO 0.58 0.09 1.32 -1.54 0.02 0.00 0.00 175.30 175.77 3b3m s SER 457 N 0.47 6.68 0.13 0.23 1.04 -1.26 -4.43 113.70 116.56 3b3m s SER 457 Ca -0.11 2.71 -0.19 0.00 0.48 0.00 0.00 55.95 58.84 3b3m s SER 457 Cb -0.14 -2.65 0.05 0.00 0.10 0.00 0.00 66.02 63.38 3b3m s SER 457 CO 0.03 -0.60 0.48 0.00 0.98 0.00 0.00 173.24 174.13 3b3m s ALA 458 N -1.16 -1.19 -0.03 5.32 0.00 -0.60 -2.18 121.76 121.92 3b3m s ALA 458 Ca 0.50 0.20 -0.04 0.00 0.00 0.00 0.00 51.96 52.63 3b3m s ALA 458 Cb -0.40 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.44 3b3m s ALA 458 CO 0.53 -0.66 0.10 -1.50 0.00 0.00 0.00 175.76 174.23 3b3m s ILE 459 N -3.61 0.01 -0.13 0.00 2.07 -0.08 -0.63 121.20 118.84 3b3m s ILE 459 Ca 0.01 -0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.18 3b3m s ILE 459 Cb 0.01 -0.18 0.00 0.00 0.13 0.00 0.00 42.46 42.42 3b3m s ILE 459 CO -0.11 -0.05 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.78 3b3m s THR 460 N -0.13 2.34 -0.25 4.00 2.01 -0.21 0.11 115.64 123.52 3b3m s THR 460 Ca -0.02 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 3b3m s THR 460 Cb -0.02 -1.95 0.03 0.00 0.01 0.00 0.00 72.50 70.58 3b3m s THR 460 CO 0.00 0.54 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.77 3b3m s ILE 461 N 0.65 2.79 0.62 1.82 1.01 -0.04 -2.86 121.20 125.19 3b3m s ILE 461 Ca -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.41 3b3m s ILE 461 Cb -0.16 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 39.91 3b3m s ILE 461 CO 0.02 0.17 0.90 -0.36 0.00 0.00 0.00 174.94 175.67 3b3m s PHE 462 N 1.30 2.97 0.18 3.97 0.08 -0.76 -0.49 117.98 125.22 3b3m s PHE 462 Ca -0.01 0.32 -0.32 0.00 0.12 0.00 0.00 56.93 57.04 3b3m s PHE 462 Cb -0.17 -2.94 -0.16 0.00 -0.57 0.00 0.00 43.02 39.19 3b3m s PHE 462 CO -0.05 -1.09 1.11 -2.30 -0.10 0.00 0.00 175.22 172.79 3b3m n PRO 463 N -2.64 1.07 -0.79 0.24 -0.02 -1.25 -4.73 135.00 126.88 3b3m n PRO 463 Ca 0.07 0.38 -0.29 0.00 -2.02 0.00 0.00 63.50 61.64 3b3m n PRO 463 Cb 0.60 -1.84 0.21 0.00 -0.02 0.00 0.00 33.50 32.45 3b3m n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3b3m s GLN 464 N -0.51 -0.17 0.40 -0.52 -2.07 -1.26 -4.54 119.66 110.98 3b3m s GLN 464 Ca 0.72 0.83 -0.25 0.00 -1.82 0.00 0.00 55.36 54.84 3b3m s GLN 464 Cb -0.86 -1.64 -0.09 0.00 -1.09 0.00 0.00 33.01 29.33 3b3m s GLN 464 CO 0.53 -3.22 1.12 0.50 -1.32 0.00 0.00 175.29 172.90 3b3m s ARG 465 N -4.66 4.09 0.00 9.60 3.52 0.99 -4.88 118.95 127.62 3b3m s ARG 465 Ca 0.67 1.71 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 3b3m s ARG 465 Cb -0.22 -2.63 0.00 0.00 -1.56 0.00 0.00 34.95 30.54 3b3m s ARG 465 CO 0.61 -0.25 0.00 0.25 -0.81 0.00 0.00 175.30 175.10 3b3m n THR 466 N 0.02 0.00 0.27 4.11 -2.24 -1.26 -4.76 114.28 110.42 3b3m n THR 466 Ca 0.05 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.93 3b3m n THR 466 Cb 0.48 -0.49 0.19 0.00 -2.10 0.00 0.00 70.33 68.40 3b3m n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3b3m n ASP 467 N -0.77 3.23 0.00 3.42 3.85 -1.26 -4.85 116.55 120.17 3b3m n ASP 467 Ca 0.00 -1.93 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 3b3m n ASP 467 Cb 0.00 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 39.56 3b3m n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3b3m n GLY 468 N 1.28 1.54 0.22 6.12 0.00 -1.26 -4.81 105.19 108.28 3b3m n GLY 468 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3b3m n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3b3m n LYS 469 N -2.00 1.58 -1.02 1.61 5.02 -1.26 -4.47 118.16 117.61 3b3m n LYS 469 Ca 0.00 -0.47 0.01 0.00 -2.02 0.00 0.00 58.31 55.83 3b3m n LYS 469 Cb 0.00 -1.30 0.15 0.00 -0.02 0.00 0.00 35.03 33.86 3b3m n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3b3m n HIS 470 N -0.67 0.42 -1.83 2.13 8.25 -1.26 -4.25 115.22 118.00 3b3m n HIS 470 Ca 0.05 -1.45 -0.39 0.00 -0.26 0.00 0.00 57.72 55.67 3b3m n HIS 470 Cb 0.32 -0.24 0.02 0.00 1.12 0.00 0.00 29.99 31.20 3b3m n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3b3m s ASP 471 N -3.10 5.72 -0.09 0.41 -0.00 -1.26 -2.55 116.67 115.80 3b3m s ASP 471 Ca 0.39 2.82 -0.11 0.00 -0.00 0.00 0.00 52.55 55.65 3b3m s ASP 471 Cb 0.38 -2.64 -0.05 0.00 -0.00 0.00 0.00 42.92 40.60 3b3m s ASP 471 CO -0.07 -1.27 0.27 -0.36 -0.00 0.00 0.00 175.17 173.73 3b3m s PHE 472 N -1.25 3.61 -0.11 4.23 0.40 -1.26 -0.54 117.98 123.05 3b3m s PHE 472 Ca 0.64 0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 57.57 3b3m s PHE 472 Cb -0.42 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 40.98 3b3m s PHE 472 CO 0.52 0.58 0.30 1.03 0.70 0.00 0.00 175.22 178.35 3b3m s ARG 473 N -0.66 0.35 -0.30 0.44 1.81 0.07 -3.44 118.95 117.22 3b3m s ARG 473 Ca 0.18 0.42 -0.11 0.00 -1.72 0.00 0.00 55.73 54.50 3b3m s ARG 473 Cb -0.14 0.17 -0.03 0.00 -0.45 0.00 0.00 34.95 34.50 3b3m s ARG 473 CO 0.07 -0.04 0.20 0.08 -0.68 0.00 0.00 175.30 174.93 3b3m s VAL 474 N 0.17 5.20 0.21 3.52 1.01 -1.26 -1.02 120.40 128.22 3b3m s VAL 474 Ca -0.00 -0.04 0.15 0.00 0.00 0.00 0.00 61.98 62.09 3b3m s VAL 474 Cb -0.02 -3.56 0.07 0.00 0.00 0.00 0.00 36.38 32.87 3b3m s VAL 474 CO 0.00 0.14 1.68 -0.50 0.00 0.00 0.00 175.10 176.43 3b3m h TRP 475 N 8.41 0.00 -4.05 5.22 4.06 -1.46 -3.42 115.95 124.70 3b3m h TRP 475 Ca -0.34 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.08 3b3m h TRP 475 Cb 1.17 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.44 3b3m h TRP 475 CO 0.71 0.47 0.52 -0.80 -3.56 0.00 0.00 178.44 175.79 3b3m s ASN 476 N -6.60 5.46 0.12 -3.49 -0.87 -1.26 -4.92 114.94 103.38 3b3m s ASN 476 Ca -0.00 2.51 -0.02 0.00 -1.57 0.00 0.00 52.86 53.77 3b3m s ASN 476 Cb 0.12 -2.61 -0.13 0.00 -0.02 0.00 0.00 41.25 38.61 3b3m s ASN 476 CO 0.72 -1.42 1.28 0.77 -2.57 0.00 0.00 177.10 175.88 3b3m h SER 477 N 1.39 0.41 -4.46 -1.22 4.64 -1.90 -3.34 113.55 109.07 3b3m h SER 477 Ca -0.50 -0.36 -0.30 0.00 -0.47 0.00 0.00 61.79 60.16 3b3m h SER 477 Cb 1.29 -0.13 -0.24 0.00 -0.31 0.00 0.00 62.40 63.01 3b3m h SER 477 CO 0.57 1.20 -0.74 -1.10 -0.87 0.00 0.00 176.83 175.88 3b3m s GLN 478 N -3.07 0.50 0.36 4.77 -0.21 -1.26 -0.58 119.66 120.18 3b3m s GLN 478 Ca -0.04 -0.56 0.05 0.00 0.02 0.00 0.00 55.36 54.82 3b3m s GLN 478 Cb 0.09 -0.35 0.70 0.00 1.00 0.00 0.00 33.01 34.45 3b3m s GLN 478 CO 0.86 0.08 1.97 -0.07 -2.12 0.00 0.00 175.29 176.01 3b3m h LEU 479 N 5.02 0.69 -8.04 2.90 3.38 -1.22 -3.39 115.31 114.65 3b3m h LEU 479 Ca -0.33 -0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.99 3b3m h LEU 479 Cb 1.20 -0.15 -0.35 0.00 0.09 0.00 0.00 40.66 41.45 3b3m h LEU 479 CO 0.44 0.46 -0.85 -0.63 0.09 0.00 0.00 178.44 177.95 3b3m s ILE 480 N -5.70 1.85 0.13 1.22 1.01 -1.26 -4.84 121.20 113.62 3b3m s ILE 480 Ca -0.10 -0.83 -0.22 0.00 0.00 0.00 0.00 60.65 59.51 3b3m s ILE 480 Cb 0.19 -1.68 0.06 0.00 0.01 0.00 0.00 42.46 41.04 3b3m s ILE 480 CO 0.77 0.51 0.56 -0.13 0.00 0.00 0.00 174.94 176.64 3b3m s ARG 481 N 1.20 1.21 0.01 2.79 0.52 -1.26 -4.84 118.95 118.57 3b3m s ARG 481 Ca 0.01 -0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 54.64 3b3m s ARG 481 Cb -0.14 0.55 -0.05 0.00 0.52 0.00 0.00 34.95 35.83 3b3m s ARG 481 CO -0.08 -0.51 0.35 0.71 0.02 0.00 0.00 175.30 175.79 3b3m s TYR 482 N -3.54 3.65 0.80 -0.53 1.51 -1.26 -0.57 117.35 117.41 3b3m s TYR 482 Ca 0.00 0.81 -0.13 0.00 -1.01 0.00 0.00 57.07 56.75 3b3m s TYR 482 Cb -0.00 -2.16 0.08 0.00 -0.11 0.00 0.00 41.96 39.76 3b3m s TYR 482 CO -0.11 0.62 1.18 0.00 -1.11 0.00 0.00 175.55 176.13 3b3m s ALA 483 N -1.19 1.89 -0.03 3.71 0.00 0.72 -4.33 121.76 122.53 3b3m s ALA 483 Ca 0.26 0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.99 3b3m s ALA 483 Cb -0.15 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3b3m s ALA 483 CO 0.14 -2.21 -0.10 0.20 0.00 0.00 0.00 175.76 173.79 3b3m s GLY 484 N -2.34 0.56 -0.07 0.00 0.00 -1.24 -1.46 107.32 102.76 3b3m s GLY 484 Ca 0.71 -0.36 0.02 0.00 0.00 0.00 0.00 44.72 45.09 3b3m s GLY 484 CO 0.51 -0.10 -0.12 -0.19 0.00 0.00 0.00 173.10 173.20 3b3m s TYR 485 N 0.19 1.48 -0.22 1.90 1.51 0.14 -4.05 117.35 118.29 3b3m s TYR 485 Ca -0.03 -0.57 -0.24 0.00 -1.01 0.00 0.00 57.07 55.21 3b3m s TYR 485 Cb -0.09 -1.10 -0.01 0.00 -0.11 0.00 0.00 41.96 40.65 3b3m s TYR 485 CO 0.01 -0.31 0.80 0.21 -1.11 0.00 0.00 175.55 175.14 3b3m s LYS 486 N 0.80 4.22 0.37 -0.62 2.47 -1.26 -0.72 119.74 125.00 3b3m s LYS 486 Ca -0.12 0.91 -0.12 0.00 -1.56 0.00 0.00 55.97 55.08 3b3m s LYS 486 Cb -0.15 -3.62 -0.07 0.00 -1.46 0.00 0.00 37.83 32.53 3b3m s LYS 486 CO 0.02 -0.43 0.75 -0.65 0.16 0.00 0.00 175.35 175.20 3b3m s GLN 487 N 2.52 3.85 0.59 4.03 -1.52 0.01 -4.96 119.66 124.18 3b3m s GLN 487 Ca 0.35 0.52 0.29 0.00 -1.95 0.00 0.00 55.36 54.57 3b3m s GLN 487 Cb -0.16 -2.42 1.77 0.00 -0.22 0.00 0.00 33.01 31.99 3b3m s GLN 487 CO 0.09 0.04 2.21 -1.00 -0.25 0.00 0.00 175.29 176.38 3b3m h PRO 488 N 1.63 0.00 0.00 2.91 0.13 -1.96 0.52 132.00 135.23 3b3m h PRO 488 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3b3m h PRO 488 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3b3m h PRO 488 CO 0.65 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 3b3m n ASP 489 N -3.83 0.00 0.00 1.44 3.85 -1.26 -4.87 116.55 111.88 3b3m n ASP 489 Ca -0.02 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 3b3m n ASP 489 Cb 0.16 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 3b3m n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3b3m n GLY 490 N 0.53 3.12 3.76 6.12 0.00 0.18 -5.03 105.19 113.87 3b3m n GLY 490 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3b3m n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b3m s SER 491 N -1.13 2.91 -0.02 1.61 1.04 -1.26 -4.74 113.70 112.11 3b3m s SER 491 Ca 0.00 0.82 0.04 0.00 0.48 0.00 0.00 55.95 57.29 3b3m s SER 491 Cb 0.00 -1.27 -0.00 0.00 0.10 0.00 0.00 66.02 64.84 3b3m s SER 491 CO 0.00 -2.91 -0.13 -0.89 0.98 0.00 0.00 173.24 170.29 3b3m s THR 492 N -3.29 1.05 -0.17 2.02 2.01 -1.26 -0.80 115.64 115.19 3b3m s THR 492 Ca 0.67 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 3b3m s THR 492 Cb -0.13 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 3b3m s THR 492 CO 0.54 0.31 0.01 -0.22 -0.69 0.00 0.00 174.62 174.57 3b3m s LEU 493 N -0.03 3.50 0.00 4.42 2.96 0.10 -4.94 118.68 124.69 3b3m s LEU 493 Ca -0.00 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3b3m s LEU 493 Cb -0.08 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.74 3b3m s LEU 493 CO 0.01 0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 3b3m n GLY 494 N 3.63 -0.02 3.50 7.98 0.00 -1.26 0.24 105.19 119.26 3b3m n GLY 494 Ca -0.17 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 3b3m n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3b3m s ASP 495 N -4.00 6.29 0.48 1.61 -1.08 -0.54 -4.76 116.67 114.68 3b3m s ASP 495 Ca 0.00 -0.49 0.24 0.00 -0.52 0.00 0.00 52.55 51.78 3b3m s ASP 495 Cb 0.00 -2.31 1.28 0.00 -1.46 0.00 0.00 42.92 40.43 3b3m s ASP 495 CO 0.00 -0.82 1.89 -0.65 0.52 0.00 0.00 175.17 176.11 3b3m h PRO 496 N 8.92 0.18 0.00 4.34 0.11 -1.81 -0.90 132.00 142.84 3b3m h PRO 496 Ca -0.26 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3b3m h PRO 496 Cb 1.09 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3b3m h PRO 496 CO 0.92 0.12 -0.09 0.00 -0.21 0.00 0.00 178.00 178.74 3b3m h ALA 497 N 1.61 1.45 -0.42 -0.75 0.00 -1.92 -3.06 119.26 116.16 3b3m h ALA 497 Ca 0.42 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3b3m h ALA 497 Cb 1.35 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3b3m h ALA 497 CO -0.08 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.37 3b3m n ASN 498 N -3.85 4.81 0.14 0.00 3.02 -0.34 -4.65 115.26 114.39 3b3m n ASN 498 Ca -0.02 -2.98 -0.14 0.00 -0.03 0.00 0.00 54.58 51.41 3b3m n ASN 498 Cb 0.19 -0.62 -0.08 0.00 -0.61 0.00 0.00 39.78 38.66 3b3m n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3b3m h VAL 499 N 2.89 0.80 -0.39 2.41 2.07 -1.64 0.12 116.25 122.51 3b3m h VAL 499 Ca 0.00 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3b3m h VAL 499 Cb 1.72 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3b3m h VAL 499 CO 0.36 0.00 0.20 -0.61 0.02 0.00 0.00 177.57 177.54 3b3m h GLN 500 N -0.28 0.40 -0.30 1.57 4.15 -1.86 -0.55 115.11 118.24 3b3m h GLN 500 Ca -0.03 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 3b3m h GLN 500 Cb 0.22 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3b3m h GLN 500 CO 0.05 0.27 0.11 0.35 -1.93 0.00 0.00 178.83 177.67 3b3m h PHE 501 N 0.41 0.48 -0.89 3.99 3.57 -1.85 -2.28 116.94 120.38 3b3m h PHE 501 Ca 0.16 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.71 3b3m h PHE 501 Cb 0.05 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 3b3m h PHE 501 CO -0.09 0.48 0.53 1.15 -2.23 0.00 0.00 178.31 178.15 3b3m h THR 502 N 0.34 0.94 -0.61 4.41 2.02 -0.48 -0.31 112.91 119.21 3b3m h THR 502 Ca 0.10 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 3b3m h THR 502 Cb 0.22 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 3b3m h THR 502 CO -0.01 0.16 0.26 -0.33 0.37 0.00 0.00 175.52 175.98 3b3m h GLU 503 N 0.89 0.87 -0.22 6.66 5.08 -0.82 -0.70 114.58 126.35 3b3m h GLU 503 Ca 0.42 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 3b3m h GLU 503 Cb 0.36 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3b3m h GLU 503 CO -0.24 0.70 0.01 0.82 -1.00 0.00 0.00 179.01 179.31 3b3m h ILE 504 N 0.87 1.24 -0.75 3.13 2.04 -0.54 -1.00 117.51 122.50 3b3m h ILE 504 Ca 0.21 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.27 3b3m h ILE 504 Cb 0.14 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 3b3m h ILE 504 CO -0.02 0.26 0.47 0.00 0.00 0.00 0.00 178.15 178.86 3b3m h ILE 506 N 0.91 1.18 -0.86 0.00 2.04 -1.02 0.39 117.51 120.15 3b3m h ILE 506 Ca 0.30 -0.54 0.08 0.00 1.00 0.00 0.00 64.86 65.70 3b3m h ILE 506 Cb 0.03 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 3b3m h ILE 506 CO -0.12 0.17 0.56 -0.61 0.00 0.00 0.00 178.15 178.16 3b3m h GLN 507 N 0.16 0.87 0.00 2.37 4.15 -0.52 0.22 115.11 122.36 3b3m h GLN 507 Ca 0.07 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3b3m h GLN 507 Cb 0.20 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3b3m h GLN 507 CO -0.00 0.57 0.00 1.04 -1.93 0.00 0.00 178.83 178.51 3b3m n GLN 508 N -4.51 0.50 0.00 1.69 1.13 0.16 -4.86 117.38 111.49 3b3m n GLN 508 Ca 0.14 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 3b3m n GLN 508 Cb 0.27 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3b3m n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3b3m n GLY 509 N 0.65 0.93 3.73 1.08 0.00 0.76 -4.93 105.19 107.42 3b3m n GLY 509 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3b3m n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3b3m s TRP 510 N -2.00 3.20 -0.75 1.61 -0.00 0.08 -4.94 118.94 116.14 3b3m s TRP 510 Ca 0.00 1.00 -0.20 0.00 -0.00 0.00 0.00 56.10 56.90 3b3m s TRP 510 Cb 0.00 -3.70 0.10 0.00 -0.00 0.00 0.00 33.47 29.87 3b3m s TRP 510 CO 0.00 -2.39 0.97 0.15 -0.00 0.00 0.00 176.95 175.68 3b3m s LYS 511 N 0.57 3.28 -0.04 5.86 -0.14 -1.26 -4.42 119.74 123.59 3b3m s LYS 511 Ca 0.62 -1.28 -0.30 0.00 -1.36 0.00 0.00 55.97 53.65 3b3m s LYS 511 Cb -0.38 -4.48 -0.05 0.00 -1.68 0.00 0.00 37.83 31.24 3b3m s LYS 511 CO 0.34 -1.74 1.44 0.00 -0.76 0.00 0.00 175.35 174.63 3b3m s ALA 512 N 3.25 3.61 -1.13 5.17 0.00 -1.26 -4.89 121.76 126.51 3b3m s ALA 512 Ca 0.24 0.83 0.21 0.00 0.00 0.00 0.00 51.96 53.24 3b3m s ALA 512 Cb -0.14 -3.64 0.95 0.00 0.00 0.00 0.00 23.12 20.30 3b3m s ALA 512 CO 0.02 -1.07 1.68 -0.35 0.00 0.00 0.00 175.76 176.03 3b3m n PRO 513 N 5.99 0.09 -3.84 0.00 -0.04 -1.26 -4.93 135.00 131.02 3b3m n PRO 513 Ca 0.14 0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.40 3b3m n PRO 513 Cb 0.44 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 3b3m n PRO 513 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3b3m n ARG 514 N -1.44 -1.55 -2.63 0.54 1.74 -1.26 -5.01 116.66 107.05 3b3m n ARG 514 Ca 0.07 0.36 -0.10 0.00 -0.77 0.00 0.00 57.85 57.40 3b3m n ARG 514 Cb 0.22 -3.91 -0.01 0.00 -1.02 0.00 0.00 32.46 27.74 3b3m n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b3m n GLY 515 N -1.86 3.48 0.07 -0.13 0.00 -1.26 -5.05 105.19 100.44 3b3m n GLY 515 Ca -0.16 -2.24 0.12 0.00 0.00 0.00 0.00 46.02 43.74 3b3m n GLY 515 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3b3m n ARG 516 N -0.69 0.30 -3.06 1.61 0.63 -1.26 -4.28 116.66 109.91 3b3m n ARG 516 Ca -0.04 0.09 -0.17 0.00 -0.92 0.00 0.00 57.85 56.81 3b3m n ARG 516 Cb 0.22 -1.69 -0.02 0.00 0.45 0.00 0.00 32.46 31.42 3b3m n ARG 516 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3b3m n PHE 517 N -2.13 0.69 -3.18 -0.14 3.01 -1.26 -4.23 117.46 110.22 3b3m n PHE 517 Ca 0.03 -3.62 -0.40 0.00 1.01 0.00 0.00 57.45 54.47 3b3m n PHE 517 Cb 0.44 -0.41 -0.07 0.00 -0.01 0.00 0.00 39.48 39.43 3b3m n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3b3m s ASP 518 N -2.66 6.47 0.12 4.37 1.01 -1.26 -4.93 116.67 119.78 3b3m s ASP 518 Ca 0.38 0.48 -0.31 0.00 0.71 0.00 0.00 52.55 53.81 3b3m s ASP 518 Cb 0.37 -2.30 -0.10 0.00 1.01 0.00 0.00 42.92 41.90 3b3m s ASP 518 CO -0.06 -0.37 1.70 -0.69 0.21 0.00 0.00 175.17 175.95 3b3m s VAL 519 N 2.44 2.70 0.71 -1.27 1.01 -1.26 -0.20 120.40 124.53 3b3m s VAL 519 Ca 0.23 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 3b3m s VAL 519 Cb -0.15 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.06 3b3m s VAL 519 CO 0.10 0.01 1.09 -0.76 0.00 0.00 0.00 175.10 175.54 3b3m s LEU 520 N 2.25 3.20 0.48 3.92 1.43 0.27 -4.83 118.68 125.39 3b3m s LEU 520 Ca 0.75 1.85 -0.06 0.00 -1.03 0.00 0.00 54.13 55.64 3b3m s LEU 520 Cb -0.43 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.22 3b3m s LEU 520 CO 0.33 -1.75 0.80 -2.16 0.23 0.00 0.00 176.35 173.80 3b3m s PRO 521 N -4.60 3.58 0.23 1.29 0.04 -1.26 -4.73 135.00 129.55 3b3m s PRO 521 Ca 0.63 0.27 -0.28 0.00 0.04 0.00 0.00 61.00 61.66 3b3m s PRO 521 Cb -0.18 -2.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.91 3b3m s PRO 521 CO 0.50 -0.20 0.90 -0.51 0.04 0.00 0.00 177.00 177.72 3b3m s LEU 522 N -4.63 4.59 -0.27 -3.56 1.43 0.22 -4.86 118.68 111.61 3b3m s LEU 522 Ca 0.48 1.85 0.03 0.00 -1.03 0.00 0.00 54.13 55.46 3b3m s LEU 522 Cb -0.10 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 42.60 3b3m s LEU 522 CO 0.43 0.14 -0.07 -0.22 0.23 0.00 0.00 176.35 176.86 3b3m s LEU 523 N -1.30 3.62 -0.09 1.79 2.96 -1.26 -0.68 118.68 123.72 3b3m s LEU 523 Ca 0.41 -1.53 0.03 0.00 -0.22 0.00 0.00 54.13 52.82 3b3m s LEU 523 Cb -0.24 -1.53 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 3b3m s LEU 523 CO 0.29 -0.23 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.14 3b3m s LEU 524 N 1.09 2.41 -0.21 -0.68 1.43 0.68 -1.18 118.68 122.22 3b3m s LEU 524 Ca -0.05 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 3b3m s LEU 524 Cb -0.20 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 3b3m s LEU 524 CO -0.06 0.21 -0.07 -1.58 0.23 0.00 0.00 176.35 175.08 3b3m s GLN 525 N 0.07 3.32 -0.06 1.70 0.74 -0.19 -0.16 119.66 125.08 3b3m s GLN 525 Ca -0.08 -0.66 0.04 0.00 0.05 0.00 0.00 55.36 54.72 3b3m s GLN 525 Cb -0.15 -2.92 -0.02 0.00 1.10 0.00 0.00 33.01 31.02 3b3m s GLN 525 CO 0.05 -0.17 -0.19 0.00 -0.55 0.00 0.00 175.29 174.43 3b3m s ALA 526 N 1.37 2.42 -1.46 1.58 0.00 -1.26 -0.75 121.76 123.65 3b3m s ALA 526 Ca 0.05 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 3b3m s ALA 526 Cb -0.14 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 22.19 3b3m s ALA 526 CO -0.04 0.45 0.77 -1.71 0.00 0.00 0.00 175.76 175.23 3b3m n ASN 527 N 2.76 -4.81 0.00 0.00 4.05 -1.22 -1.77 115.26 114.28 3b3m n ASN 527 Ca -0.17 -0.56 0.00 0.00 0.45 0.00 0.00 54.58 54.30 3b3m n ASN 527 Cb 0.52 -3.88 0.00 0.00 1.23 0.00 0.00 39.78 37.65 3b3m n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3b3m n GLY 528 N -1.52 1.69 3.77 8.20 0.00 0.30 -4.54 105.19 113.10 3b3m n GLY 528 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3b3m n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3b3m s ASN 529 N -3.25 3.65 0.42 1.61 0.01 -0.73 -4.87 114.94 111.78 3b3m s ASN 529 Ca 0.00 1.13 -0.26 0.00 -0.71 0.00 0.00 52.86 53.02 3b3m s ASN 529 Cb 0.00 -1.77 -0.09 0.00 0.41 0.00 0.00 41.25 39.81 3b3m s ASN 529 CO 0.00 -2.48 1.35 -1.81 -1.51 0.00 0.00 177.10 172.65 3b3m s ASP 530 N -3.87 6.16 0.76 -1.22 1.01 -1.26 -4.37 116.67 113.88 3b3m s ASP 530 Ca 0.63 2.77 -0.13 0.00 0.71 0.00 0.00 52.55 56.52 3b3m s ASP 530 Cb -0.15 -2.65 0.06 0.00 1.01 0.00 0.00 42.92 41.19 3b3m s ASP 530 CO 0.54 -0.97 1.16 -2.16 0.21 0.00 0.00 175.17 173.95 3b3m s PRO 531 N -2.31 2.05 0.03 8.23 0.04 -1.26 -4.73 135.00 137.04 3b3m s PRO 531 Ca 0.58 1.55 0.05 0.00 0.04 0.00 0.00 61.00 63.23 3b3m s PRO 531 Cb -0.40 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 3b3m s PRO 531 CO 0.52 -1.86 -0.15 -1.21 0.04 0.00 0.00 177.00 174.34 3b3m s GLU 532 N -4.25 1.07 0.17 4.56 2.02 0.78 -4.84 118.70 118.21 3b3m s GLU 532 Ca 0.69 -0.72 -0.20 0.00 0.02 0.00 0.00 54.97 54.77 3b3m s GLU 532 Cb -0.24 -1.08 -0.08 0.00 0.10 0.00 0.00 34.13 32.83 3b3m s GLU 532 CO 0.49 0.28 0.68 -0.51 0.02 0.00 0.00 175.26 176.21 3b3m s LEU 533 N -0.91 4.42 -0.11 1.80 1.43 -1.26 -0.23 118.68 123.81 3b3m s LEU 533 Ca 0.04 1.38 -0.10 0.00 -1.03 0.00 0.00 54.13 54.41 3b3m s LEU 533 Cb -0.07 -3.36 0.03 0.00 0.03 0.00 0.00 46.19 42.82 3b3m s LEU 533 CO 0.01 0.12 0.30 -0.36 0.23 0.00 0.00 176.35 176.64 3b3m s PHE 534 N -1.37 -0.34 -0.21 0.29 0.40 0.15 -4.97 117.98 111.94 3b3m s PHE 534 Ca 0.38 0.81 -0.11 0.00 -0.60 0.00 0.00 56.93 57.41 3b3m s PHE 534 Cb -0.18 0.11 -0.05 0.00 0.51 0.00 0.00 43.02 43.41 3b3m s PHE 534 CO 0.21 -0.17 0.20 -1.14 0.70 0.00 0.00 175.22 175.02 3b3m s GLN 535 N 0.30 4.16 0.15 0.44 0.74 -1.26 0.72 119.66 124.92 3b3m s GLN 535 Ca -0.01 -0.14 -0.31 0.00 0.05 0.00 0.00 55.36 54.95 3b3m s GLN 535 Cb -0.03 -3.47 -0.09 0.00 1.10 0.00 0.00 33.01 30.52 3b3m s GLN 535 CO -0.01 0.18 1.40 0.42 -0.55 0.00 0.00 175.29 176.73 3b3m s ILE 536 N 0.70 3.12 -0.22 -2.34 1.01 -1.26 -4.88 121.20 117.33 3b3m s ILE 536 Ca 0.10 0.84 -0.38 0.00 0.00 0.00 0.00 60.65 61.21 3b3m s ILE 536 Cb -0.13 -3.54 -0.14 0.00 0.01 0.00 0.00 42.46 38.67 3b3m s ILE 536 CO 0.02 0.08 1.82 -2.65 0.00 0.00 0.00 174.94 174.21 3b3m n PRO 537 N 3.50 1.52 -0.34 2.79 -0.02 -1.26 -4.79 135.00 136.39 3b3m n PRO 537 Ca 0.10 0.55 0.20 0.00 -2.02 0.00 0.00 63.50 62.33 3b3m n PRO 537 Cb 0.42 -2.31 0.42 0.00 -0.02 0.00 0.00 33.50 32.01 3b3m n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3b3m h PRO 538 N 8.14 0.49 0.00 0.52 0.11 -1.95 0.34 132.00 139.66 3b3m h PRO 538 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3b3m h PRO 538 Cb 1.30 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3b3m h PRO 538 CO 0.96 0.32 0.00 -0.85 -0.21 0.00 0.00 178.00 178.23 3b3m n GLU 539 N -4.88 0.10 0.02 1.05 0.00 -1.26 -1.24 120.64 114.43 3b3m n GLU 539 Ca 0.28 0.51 0.11 0.00 0.00 0.00 0.00 57.16 58.06 3b3m n GLU 539 Cb 0.82 -1.78 0.04 0.00 0.00 0.00 0.00 31.44 30.52 3b3m n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3b3m n LEU 540 N -1.99 0.64 -4.40 -1.84 4.32 0.12 -4.77 117.00 109.08 3b3m n LEU 540 Ca 0.00 -0.07 -0.44 0.00 -0.02 0.00 0.00 56.01 55.48 3b3m n LEU 540 Cb 0.09 -0.11 -0.04 0.00 -1.62 0.00 0.00 43.42 41.74 3b3m n LEU 540 CO 0.10 0.08 0.54 -0.69 -1.22 0.00 0.00 177.39 176.20 3b3m s VAL 541 N -3.14 4.73 -0.02 4.08 1.01 -0.37 -4.75 120.40 121.94 3b3m s VAL 541 Ca 0.05 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 3b3m s VAL 541 Cb 0.15 -4.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3b3m s VAL 541 CO 0.79 -1.23 1.07 -0.22 0.00 0.00 0.00 175.10 175.51 3b3m s LEU 542 N 2.89 4.33 0.11 3.92 2.96 -1.26 -5.00 118.68 126.62 3b3m s LEU 542 Ca 0.16 1.73 0.06 0.00 -0.22 0.00 0.00 54.13 55.86 3b3m s LEU 542 Cb -0.20 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 3b3m s LEU 542 CO 0.05 -0.39 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.93 3b3m s GLU 543 N 1.41 0.99 -0.15 1.98 2.02 -1.26 -0.61 118.70 123.07 3b3m s GLU 543 Ca 0.53 -1.17 0.01 0.00 0.02 0.00 0.00 54.97 54.36 3b3m s GLU 543 Cb -0.23 -0.93 0.02 0.00 0.10 0.00 0.00 34.13 33.09 3b3m s GLU 543 CO 0.25 0.19 -0.16 0.08 0.02 0.00 0.00 175.26 175.65 3b3m s VAL 544 N -1.85 1.68 0.12 2.63 1.01 0.15 -4.89 120.40 119.25 3b3m s VAL 544 Ca 0.06 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 3b3m s VAL 544 Cb -0.07 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 34.69 3b3m s VAL 544 CO 0.03 0.48 1.23 -2.84 0.00 0.00 0.00 175.10 174.00 3b3m s PRO 545 N 1.42 4.44 -0.20 2.72 0.02 -1.26 -1.53 135.00 140.60 3b3m s PRO 545 Ca 0.04 1.87 -0.19 0.00 0.02 0.00 0.00 61.00 62.75 3b3m s PRO 545 Cb -0.13 -3.28 -0.03 0.00 0.02 0.00 0.00 34.50 31.08 3b3m s PRO 545 CO -0.11 -0.22 0.53 0.42 -0.33 0.00 0.00 177.00 177.29 3b3m s ILE 546 N 0.58 5.09 0.16 2.83 -1.09 0.70 -4.85 121.20 124.62 3b3m s ILE 546 Ca 0.57 0.97 0.02 0.00 -2.23 0.00 0.00 60.65 59.98 3b3m s ILE 546 Cb -0.32 -3.85 -0.05 0.00 -1.58 0.00 0.00 42.46 36.66 3b3m s ILE 546 CO 0.33 0.16 -0.02 0.00 -1.23 0.00 0.00 174.94 174.18 3b3m s ARG 547 N 1.72 1.05 -0.05 2.79 3.03 -1.26 -4.06 118.95 122.17 3b3m s ARG 547 Ca 0.24 -1.49 0.01 0.00 2.03 0.00 0.00 55.73 56.52 3b3m s ARG 547 Cb -0.15 -0.27 -0.03 0.00 -1.03 0.00 0.00 34.95 33.46 3b3m s ARG 547 CO 0.10 -0.10 -0.04 -1.58 -1.13 0.00 0.00 175.30 172.55 3b3m s HIS 548 N -3.63 3.01 0.56 5.89 2.46 -1.26 -4.31 115.29 118.00 3b3m s HIS 548 Ca 0.21 0.07 0.23 0.00 0.47 0.00 0.00 55.06 56.04 3b3m s HIS 548 Cb 0.06 -1.71 1.55 0.00 -0.13 0.00 0.00 32.58 32.35 3b3m s HIS 548 CO 0.02 0.39 2.20 -1.00 -2.47 0.00 0.00 174.74 173.89 3b3m h PRO 549 N 4.97 0.00 0.00 2.88 0.13 -1.92 -3.31 132.00 134.76 3b3m h PRO 549 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 3b3m h PRO 549 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3b3m h PRO 549 CO 0.54 0.00 -1.24 1.63 -0.23 0.00 0.00 178.00 178.70 3b3m n LYS 550 N -4.19 3.21 -3.11 0.86 5.02 -1.26 -4.93 118.16 113.77 3b3m n LYS 550 Ca -0.03 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.82 3b3m n LYS 550 Cb 0.09 -1.09 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 3b3m n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3b3m s PHE 551 N -2.08 3.00 0.21 2.13 0.08 -1.25 -4.90 117.98 115.16 3b3m s PHE 551 Ca -0.02 -0.65 0.36 0.00 0.12 0.00 0.00 56.93 56.73 3b3m s PHE 551 Cb 0.01 -3.77 1.67 0.00 -0.57 0.00 0.00 43.02 40.36 3b3m s PHE 551 CO 0.14 -1.17 2.07 0.22 -0.10 0.00 0.00 175.22 176.37 3b3m h ASP 552 N 9.11 0.00 1.12 1.36 3.58 -1.92 -2.35 116.42 127.32 3b3m h ASP 552 Ca -0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.17 3b3m h ASP 552 Cb 1.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.14 3b3m h ASP 552 CO 1.03 0.00 -0.14 -2.67 -2.88 0.00 0.00 179.24 174.58 3b3m n TRP 553 N -2.95 0.44 -0.11 0.28 4.27 -1.26 -3.96 117.44 114.16 3b3m n TRP 553 Ca -0.01 0.13 -0.07 0.00 -3.89 0.00 0.00 57.50 53.66 3b3m n TRP 553 Cb 0.20 -0.67 0.01 0.00 -1.36 0.00 0.00 31.31 29.49 3b3m n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3b3m h PHE 554 N 0.00 0.34 -0.81 -2.67 3.04 -1.79 -1.70 116.94 113.36 3b3m h PHE 554 Ca 0.00 0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.15 3b3m h PHE 554 Cb 0.63 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 38.98 3b3m h PHE 554 CO 0.00 0.19 0.55 1.57 -2.02 0.00 0.00 178.31 178.59 3b3m h LYS 555 N 0.38 0.32 0.00 1.11 2.10 -1.71 0.17 116.57 118.95 3b3m h LYS 555 Ca 0.15 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 3b3m h LYS 555 Cb 0.05 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 3b3m h LYS 555 CO -0.10 0.21 0.00 -0.25 -2.00 0.00 0.00 179.45 177.31 3b3m n ASP 556 N -4.46 0.00 0.11 7.07 8.00 -0.64 -1.88 116.55 124.75 3b3m n ASP 556 Ca 0.16 -0.13 0.11 0.00 0.71 0.00 0.00 54.79 55.64 3b3m n ASP 556 Cb 0.65 -0.22 0.46 0.00 -0.02 0.00 0.00 41.12 42.00 3b3m n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3b3m n LEU 557 N -1.22 0.56 -0.60 0.64 4.77 0.61 -4.87 117.00 116.89 3b3m n LEU 557 Ca 0.10 0.64 -0.07 0.00 -0.03 0.00 0.00 56.01 56.65 3b3m n LEU 557 Cb 0.13 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 3b3m n LEU 557 CO 0.14 -0.51 -0.07 0.61 -1.33 0.00 0.00 177.39 176.22 3b3m n GLY 558 N -0.02 0.65 3.87 -0.72 0.00 -0.79 -5.02 105.19 103.16 3b3m n GLY 558 Ca 0.02 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 3b3m n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b3m s LEU 559 N -1.68 4.23 0.23 0.99 1.43 -1.26 -5.02 118.68 117.62 3b3m s LEU 559 Ca 0.00 0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 53.74 3b3m s LEU 559 Cb 0.00 -3.46 0.04 0.00 0.03 0.00 0.00 46.19 42.80 3b3m s LEU 559 CO 0.00 0.01 0.71 -1.59 0.23 0.00 0.00 176.35 175.71 3b3m s LYS 560 N -2.55 1.59 0.10 1.70 -2.85 -1.26 -0.22 119.74 116.27 3b3m s LYS 560 Ca 0.43 -0.82 -0.15 0.00 -1.00 0.00 0.00 55.97 54.43 3b3m s LYS 560 Cb -0.12 0.58 0.03 0.00 -2.06 0.00 0.00 37.83 36.26 3b3m s LYS 560 CO 0.21 -0.72 0.36 -0.46 0.10 0.00 0.00 175.35 174.84 3b3m s TRP 561 N -3.81 -0.15 0.45 1.78 -0.11 -0.58 -4.89 118.94 111.63 3b3m s TRP 561 Ca 0.09 -0.15 -0.18 0.00 1.22 0.00 0.00 56.10 57.08 3b3m s TRP 561 Cb -0.04 0.19 -0.09 0.00 -1.50 0.00 0.00 33.47 32.02 3b3m s TRP 561 CO 0.01 -0.65 0.93 1.52 -4.62 0.00 0.00 176.95 174.14 3b3m s TYR 562 N -3.59 3.38 -0.47 5.86 -0.85 -1.26 0.31 117.35 120.73 3b3m s TYR 562 Ca 0.02 1.48 0.24 0.00 -0.52 0.00 0.00 57.07 58.29 3b3m s TYR 562 Cb 0.02 -2.77 0.33 0.00 0.38 0.00 0.00 41.96 39.92 3b3m s TYR 562 CO -0.10 -0.18 1.43 0.78 -1.52 0.00 0.00 175.55 175.96 3b3m h GLY 563 N 1.55 0.00 -7.55 5.49 0.00 -1.20 -3.46 103.07 97.90 3b3m h GLY 563 Ca -0.48 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.14 3b3m h GLY 563 CO 0.62 0.00 -0.49 -2.27 0.00 0.00 0.00 176.54 174.40 3b3m s LEU 564 N -5.31 4.86 -0.38 3.11 2.96 -1.26 -4.50 118.68 118.17 3b3m s LEU 564 Ca 0.05 -1.08 -0.25 0.00 -0.22 0.00 0.00 54.13 52.63 3b3m s LEU 564 Cb 0.09 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.76 3b3m s LEU 564 CO 0.70 -0.43 0.91 -2.16 -1.32 0.00 0.00 176.35 174.05 3b3m s PRO 565 N 1.55 3.79 -0.36 0.98 0.04 -1.26 -4.72 135.00 135.02 3b3m s PRO 565 Ca 0.02 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.55 3b3m s PRO 565 Cb -0.20 -3.82 0.12 0.00 0.04 0.00 0.00 34.50 30.64 3b3m s PRO 565 CO 0.06 -0.97 0.16 0.00 0.04 0.00 0.00 177.00 176.29 3b3m s ALA 566 N 3.46 1.59 -0.04 8.56 0.00 -1.26 -2.59 121.76 131.49 3b3m s ALA 566 Ca 0.37 -1.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.07 3b3m s ALA 566 Cb -0.12 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 3b3m s ALA 566 CO 0.19 -1.86 1.48 0.08 0.00 0.00 0.00 175.76 175.66 3b3m s VAL 567 N 1.17 3.70 0.00 0.00 1.01 0.15 -0.70 120.40 125.73 3b3m s VAL 567 Ca 0.13 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.10 3b3m s VAL 567 Cb -0.20 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3b3m s VAL 567 CO -0.14 -0.04 0.72 -1.54 0.00 0.00 0.00 175.10 174.10 3b3m n SER 568 N 6.15 1.36 -0.80 3.32 3.41 0.26 -1.46 113.62 125.87 3b3m n SER 568 Ca 0.15 -1.49 0.07 0.00 -0.26 0.00 0.00 58.87 57.34 3b3m n SER 568 Cb 0.43 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.56 3b3m n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3b3m n ASN 569 N -0.25 3.06 -4.95 4.04 6.94 -1.16 -4.33 115.26 118.60 3b3m n ASN 569 Ca 0.00 -1.94 -0.23 0.00 -0.02 0.00 0.00 54.58 52.39 3b3m n ASN 569 Cb 0.17 -0.26 0.01 0.00 -2.36 0.00 0.00 39.78 37.34 3b3m n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3b3m s MET 570 N -1.03 3.12 -0.15 -3.83 -1.94 -1.26 -4.32 119.30 109.89 3b3m s MET 570 Ca 0.28 -0.51 -0.03 0.00 -1.71 0.00 0.00 55.69 53.72 3b3m s MET 570 Cb 0.15 -2.59 -0.02 0.00 2.01 0.00 0.00 34.83 34.37 3b3m s MET 570 CO 0.20 -0.19 -0.06 -1.17 -0.01 0.00 0.00 175.02 173.79 3b3m s LEU 571 N -4.49 3.12 -0.35 -0.03 0.20 0.64 -4.29 118.68 113.48 3b3m s LEU 571 Ca 0.47 -0.17 -0.14 0.00 0.69 0.00 0.00 54.13 54.98 3b3m s LEU 571 Cb -0.10 -1.74 -0.01 0.00 -0.43 0.00 0.00 46.19 43.91 3b3m s LEU 571 CO 0.37 0.18 0.29 -0.22 -0.29 0.00 0.00 176.35 176.68 3b3m s LEU 572 N 0.31 4.54 -0.25 -0.68 2.96 0.08 0.03 118.68 125.66 3b3m s LEU 572 Ca -0.05 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.38 3b3m s LEU 572 Cb -0.14 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 3b3m s LEU 572 CO 0.04 -0.29 0.12 -0.70 -1.32 0.00 0.00 176.35 174.19 3b3m s GLU 573 N 1.83 3.82 -0.11 1.98 2.12 0.12 -0.64 118.70 127.82 3b3m s GLU 573 Ca 0.08 -0.39 -0.01 0.00 0.36 0.00 0.00 54.97 55.01 3b3m s GLU 573 Cb -0.17 -3.45 0.03 0.00 0.26 0.00 0.00 34.13 30.79 3b3m s GLU 573 CO 0.11 -0.13 -0.07 0.42 -0.54 0.00 0.00 175.26 175.06 3b3m s ILE 574 N 1.52 0.97 -1.54 -3.70 1.01 -0.60 -1.95 121.20 116.90 3b3m s ILE 574 Ca 0.06 -0.28 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 3b3m s ILE 574 Cb -0.15 -1.02 0.10 0.00 0.01 0.00 0.00 42.46 41.40 3b3m s ILE 574 CO 0.06 0.33 0.91 0.61 0.00 0.00 0.00 174.94 176.86 3b3m n GLY 575 N 4.96 -0.49 2.67 6.18 0.00 -1.26 -0.62 105.19 116.62 3b3m n GLY 575 Ca -0.12 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3b3m n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b3m n GLY 576 N -1.60 2.62 3.82 -0.02 0.00 -1.26 -3.58 105.19 105.17 3b3m n GLY 576 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3b3m n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b3m s LEU 577 N 0.00 4.26 -0.29 0.99 1.43 0.20 -4.96 118.68 120.32 3b3m s LEU 577 Ca 0.00 1.43 -0.03 0.00 -1.03 0.00 0.00 54.13 54.50 3b3m s LEU 577 Cb 0.00 -3.77 0.04 0.00 0.03 0.00 0.00 46.19 42.48 3b3m s LEU 577 CO 0.00 -0.05 -0.00 -1.61 0.23 0.00 0.00 176.35 174.92 3b3m s GLU 578 N -2.26 2.67 -0.64 1.70 2.02 -1.26 -1.56 118.70 119.37 3b3m s GLU 578 Ca 0.47 -1.11 -0.15 0.00 0.02 0.00 0.00 54.97 54.21 3b3m s GLU 578 Cb -0.15 -3.16 0.16 0.00 0.10 0.00 0.00 34.13 31.08 3b3m s GLU 578 CO 0.20 -0.53 0.58 -0.06 0.02 0.00 0.00 175.26 175.48 3b3m s PHE 579 N 1.32 3.44 -0.81 1.61 0.40 0.19 -0.01 117.98 124.13 3b3m s PHE 579 Ca -0.02 -1.60 0.22 0.00 -0.60 0.00 0.00 56.93 54.92 3b3m s PHE 579 Cb -0.18 -3.77 0.88 0.00 0.51 0.00 0.00 43.02 40.45 3b3m s PHE 579 CO -0.01 -1.00 1.67 -1.13 0.70 0.00 0.00 175.22 175.45 3b3m n SER 580 N 4.75 0.32 -3.79 1.36 3.41 -1.26 -0.74 113.62 117.66 3b3m n SER 580 Ca -0.04 0.56 -0.30 0.00 -0.26 0.00 0.00 58.87 58.84 3b3m n SER 580 Cb 0.42 -0.63 -0.15 0.00 -0.26 0.00 0.00 64.21 63.59 3b3m n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3b3m s ALA 581 N -3.11 1.70 -0.38 7.33 0.00 -1.22 -4.55 121.76 121.53 3b3m s ALA 581 Ca 0.08 -1.65 0.11 0.00 0.00 0.00 0.00 51.96 50.50 3b3m s ALA 581 Cb 0.12 -1.60 0.36 0.00 0.00 0.00 0.00 23.12 22.00 3b3m s ALA 581 CO 0.40 -1.57 0.91 0.00 0.00 0.00 0.00 175.76 175.50 3b3m n PRO 583 N 0.17 1.84 -4.15 0.00 -0.04 -1.14 -4.66 135.00 127.02 3b3m n PRO 583 Ca 0.16 0.66 -0.15 0.00 -0.04 0.00 0.00 63.50 64.13 3b3m n PRO 583 Cb 0.71 -2.34 -0.11 0.00 -0.04 0.00 0.00 33.50 31.72 3b3m n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3b3m s PHE 584 N 0.42 1.02 0.05 0.54 -0.12 -0.53 -1.04 117.98 118.31 3b3m s PHE 584 Ca 0.76 -0.59 -0.10 0.00 -0.05 0.00 0.00 56.93 56.94 3b3m s PHE 584 Cb -0.74 -0.57 0.01 0.00 -0.63 0.00 0.00 43.02 41.09 3b3m s PHE 584 CO 0.45 -0.01 0.22 -1.54 -0.05 0.00 0.00 175.22 174.29 3b3m s SER 585 N -2.16 0.01 0.00 1.98 1.04 0.20 -0.67 113.70 114.10 3b3m s SER 585 Ca 0.01 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.07 3b3m s SER 585 Cb -0.05 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3b3m s SER 585 CO 0.00 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.24 3b3m n GLY 586 N 0.55 4.62 3.10 7.32 0.00 -1.07 -1.56 105.19 118.15 3b3m n GLY 586 Ca -0.18 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 3b3m n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3b3m s TRP 587 N 3.49 0.32 0.52 1.61 -2.14 -1.26 -4.47 118.94 117.00 3b3m s TRP 587 Ca 0.00 -0.73 -0.19 0.00 2.66 0.00 0.00 56.10 57.84 3b3m s TRP 587 Cb 0.00 -0.23 -0.07 0.00 -3.10 0.00 0.00 33.47 30.08 3b3m s TRP 587 CO 0.00 -0.38 1.08 0.71 -2.66 0.00 0.00 176.95 175.70 3b3m s TYR 588 N -3.13 2.86 -0.17 1.66 1.51 -1.26 -4.92 117.35 113.90 3b3m s TYR 588 Ca -0.00 1.56 -0.08 0.00 -1.01 0.00 0.00 57.07 57.53 3b3m s TYR 588 Cb 0.02 -3.15 -0.04 0.00 -0.11 0.00 0.00 41.96 38.68 3b3m s TYR 588 CO -0.07 -1.17 0.10 1.41 -1.11 0.00 0.00 175.55 174.72 3b3m s MET 589 N -3.37 3.89 0.29 -0.62 -2.45 -1.26 -1.55 119.30 114.23 3b3m s MET 589 Ca 0.69 -0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.90 3b3m s MET 589 Cb -0.19 -3.26 0.73 0.00 1.25 0.00 0.00 34.83 33.36 3b3m s MET 589 CO 0.25 0.42 1.64 0.78 1.05 0.00 0.00 175.02 179.16 3b3m h GLY 590 N 6.22 1.39 1.77 2.11 0.00 -1.01 -1.48 103.07 112.08 3b3m h GLY 590 Ca -0.43 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 46.89 3b3m h GLY 590 CO 0.69 -0.39 0.09 -0.91 0.00 0.00 0.00 176.54 176.02 3b3m h THR 591 N 0.19 0.54 -0.99 4.70 1.35 -1.94 0.06 112.91 116.83 3b3m h THR 591 Ca 0.56 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 66.45 3b3m h THR 591 Cb 1.15 0.93 -0.05 0.00 -1.73 0.00 0.00 68.15 68.45 3b3m h THR 591 CO -0.67 0.00 0.65 -0.33 -0.25 0.00 0.00 175.52 174.92 3b3m h GLU 592 N 0.00 1.26 0.00 4.72 5.08 -1.68 0.11 114.58 124.07 3b3m h GLU 592 Ca 0.04 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3b3m h GLU 592 Cb 0.22 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3b3m h GLU 592 CO -0.00 0.83 -0.69 0.82 -1.00 0.00 0.00 179.01 178.97 3b3m h ILE 593 N 1.30 0.54 -0.83 3.13 2.04 -1.52 -0.88 117.51 121.27 3b3m h ILE 593 Ca 0.38 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 3b3m h ILE 593 Cb -0.08 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3b3m h ILE 593 CO -0.10 0.18 0.41 1.23 0.00 0.00 0.00 178.15 179.87 3b3m h GLY 594 N -1.00 1.28 0.00 5.37 0.00 -1.03 1.00 103.07 108.69 3b3m h GLY 594 Ca -0.14 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3b3m h GLY 594 CO -0.08 0.60 -0.60 -0.62 0.00 0.00 0.00 176.54 175.84 3b3m n VAL 595 N -4.31 1.39 0.07 4.60 0.31 0.32 -3.95 118.33 116.76 3b3m n VAL 595 Ca 0.08 0.21 -0.04 0.00 -0.01 0.00 0.00 64.34 64.59 3b3m n VAL 595 Cb 0.14 -2.36 -0.02 0.00 -0.91 0.00 0.00 33.84 30.69 3b3m n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3b3m h ARG 596 N -0.97 -0.24 -0.87 5.55 2.47 -1.41 -0.55 114.38 118.35 3b3m h ARG 596 Ca 0.00 0.02 0.07 0.00 -1.26 0.00 0.00 59.98 58.80 3b3m h ARG 596 Cb 0.60 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.91 3b3m h ARG 596 CO 0.00 -0.16 0.54 -0.44 0.56 0.00 0.00 179.97 180.47 3b3m h ASP 597 N -0.85 0.84 0.14 7.04 3.32 -1.04 -2.22 116.42 123.65 3b3m h ASP 597 Ca -0.03 0.02 -0.36 0.00 0.02 0.00 0.00 57.03 56.68 3b3m h ASP 597 Cb 0.19 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3b3m h ASP 597 CO 0.04 0.53 -1.96 1.88 -1.72 0.00 0.00 179.24 178.02 3b3m h TYR 598 N 0.98 0.52 -0.01 4.55 0.99 -0.95 -1.83 116.97 121.21 3b3m h TYR 598 Ca 0.39 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3b3m h TYR 598 Cb 0.20 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.91 3b3m h TYR 598 CO -0.03 1.77 -0.57 0.00 -0.00 0.00 0.00 178.16 179.33 3b3m s ASP 600 N -2.47 5.83 0.44 0.00 -0.00 -0.84 -4.66 116.67 114.96 3b3m s ASP 600 Ca 0.15 2.78 0.13 0.00 -0.00 0.00 0.00 52.55 55.61 3b3m s ASP 600 Cb 0.16 -2.64 0.96 0.00 -0.00 0.00 0.00 42.92 41.40 3b3m s ASP 600 CO 0.60 -1.19 1.98 0.78 -0.00 0.00 0.00 175.17 177.34 3b3m h ASN 601 N 2.16 0.05 -0.53 0.27 -0.26 -1.92 -2.28 115.58 113.07 3b3m h ASN 601 Ca -0.50 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.23 3b3m h ASN 601 Cb 1.27 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 38.52 3b3m h ASN 601 CO 0.60 0.22 0.00 -1.54 -1.06 0.00 0.00 177.43 175.65 3b3m n SER 602 N -4.32 2.85 0.00 5.81 3.41 -1.26 -4.61 113.62 115.49 3b3m n SER 602 Ca -0.02 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 3b3m n SER 602 Cb 0.24 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3b3m n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3b3m n ARG 603 N 1.03 2.44 0.31 4.33 5.12 -0.88 -4.08 116.66 124.93 3b3m n ARG 603 Ca 0.18 0.00 0.20 0.00 -1.93 0.00 0.00 57.85 56.30 3b3m n ARG 603 Cb 0.45 0.00 1.00 0.00 -1.16 0.00 0.00 32.46 32.75 3b3m n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3b3m h TYR 604 N 0.00 0.00 -6.55 -1.55 -1.99 -1.47 -3.42 116.97 102.00 3b3m h TYR 604 Ca 0.00 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 60.22 3b3m h TYR 604 Cb 0.00 0.00 0.03 0.00 2.00 0.00 0.00 36.73 38.76 3b3m h TYR 604 CO 0.00 0.00 -0.97 -1.71 -0.00 0.00 0.00 178.16 175.48 3b3m n ASN 605 N -3.05 -4.53 -0.78 3.88 4.05 0.21 -4.91 115.26 110.13 3b3m n ASN 605 Ca -0.02 -1.14 0.13 0.00 0.45 0.00 0.00 54.58 54.00 3b3m n ASN 605 Cb 0.16 -2.62 0.26 0.00 1.23 0.00 0.00 39.78 38.81 3b3m n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3b3m n ILE 606 N -4.57 0.01 -0.21 -1.44 -5.35 -0.18 -4.57 119.36 103.05 3b3m n ILE 606 Ca -0.11 -0.41 0.01 0.00 -0.27 0.00 0.00 62.75 61.97 3b3m n ILE 606 Cb 0.58 1.11 0.10 0.00 -1.74 0.00 0.00 39.64 39.70 3b3m n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3b3m h LEU 607 N 3.81 -0.34 0.53 7.28 3.38 -1.87 -1.68 115.31 126.43 3b3m h LEU 607 Ca 0.00 0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3b3m h LEU 607 Cb 0.81 0.30 0.01 0.00 0.09 0.00 0.00 40.66 41.86 3b3m h LEU 607 CO 0.00 -0.14 -0.25 -0.33 0.09 0.00 0.00 178.44 177.81 3b3m h GLU 608 N 0.09 -0.68 -0.97 1.13 5.08 -1.99 0.25 114.58 117.49 3b3m h GLU 608 Ca 0.33 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.83 3b3m h GLU 608 Cb 0.54 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.86 3b3m h GLU 608 CO -0.56 -0.43 0.61 1.49 -1.00 0.00 0.00 179.01 179.12 3b3m h GLU 609 N -0.77 1.00 -0.31 2.33 4.81 -1.84 0.18 114.58 119.99 3b3m h GLU 609 Ca -0.07 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 3b3m h GLU 609 Cb 0.57 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3b3m h GLU 609 CO 0.12 0.66 -0.24 0.28 -0.73 0.00 0.00 179.01 179.10 3b3m h VAL 610 N 1.03 1.30 -0.80 0.32 2.07 -1.16 -2.72 116.25 116.29 3b3m h VAL 610 Ca 0.45 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3b3m h VAL 610 Cb 0.34 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3b3m h VAL 610 CO -0.23 0.45 0.41 0.00 0.02 0.00 0.00 177.57 178.22 3b3m h ALA 611 N 0.73 1.22 0.81 1.67 0.00 0.44 -2.25 119.26 121.89 3b3m h ALA 611 Ca 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3b3m h ALA 611 Cb 0.79 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3b3m h ALA 611 CO 0.06 0.61 -0.43 0.87 0.00 0.00 0.00 179.25 180.37 3b3m h LYS 612 N 1.12 -1.10 -1.01 0.00 1.57 -0.61 -1.11 116.57 115.43 3b3m h LYS 612 Ca 0.28 0.07 0.25 0.00 -1.87 0.00 0.00 60.65 59.38 3b3m h LYS 612 Cb 0.07 0.25 -0.09 0.00 0.08 0.00 0.00 32.23 32.54 3b3m h LYS 612 CO -0.04 -0.73 0.65 0.87 -0.57 0.00 0.00 179.45 179.63 3b3m h LYS 613 N -1.14 0.43 0.00 3.15 1.79 -1.30 1.70 116.57 121.20 3b3m h LYS 613 Ca -0.11 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 3b3m h LYS 613 Cb 0.89 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 3b3m h LYS 613 CO 0.16 0.28 -0.03 -1.33 -1.08 0.00 0.00 179.45 177.45 3b3m n MET 614 N -4.63 0.01 -3.44 3.15 2.81 -0.86 -4.94 117.12 109.22 3b3m n MET 614 Ca 0.24 0.01 -0.16 0.00 -1.81 0.00 0.00 57.70 55.98 3b3m n MET 614 Cb 0.81 -1.51 0.02 0.00 -0.71 0.00 0.00 33.22 31.82 3b3m n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3b3m n ASP 615 N -1.53 -6.27 -4.96 7.83 -0.08 0.58 -4.99 116.55 107.12 3b3m n ASP 615 Ca 0.07 -0.61 -0.22 0.00 -1.51 0.00 0.00 54.79 52.52 3b3m n ASP 615 Cb 0.34 -3.78 -0.01 0.00 2.34 0.00 0.00 41.12 40.02 3b3m n ASP 615 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3b3m s LEU 616 N -5.00 3.97 -0.71 -2.67 1.43 -0.95 -5.01 118.68 109.74 3b3m s LEU 616 Ca 0.15 0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.14 3b3m s LEU 616 Cb -0.05 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.17 3b3m s LEU 616 CO 0.82 -0.40 1.37 -0.62 0.23 0.00 0.00 176.35 177.75 3b3m s ASP 617 N -4.11 6.04 -0.05 2.29 3.68 -1.26 -4.81 116.67 118.44 3b3m s ASP 617 Ca 0.42 -0.27 0.16 0.00 2.13 0.00 0.00 52.55 54.99 3b3m s ASP 617 Cb -0.10 -2.55 0.56 0.00 -1.45 0.00 0.00 42.92 39.38 3b3m s ASP 617 CO 0.34 -1.90 1.45 0.23 0.13 0.00 0.00 175.17 175.42 3b3m n MET 618 N 9.28 2.86 0.09 4.34 2.81 -1.26 -4.26 117.12 130.97 3b3m n MET 618 Ca 0.06 -2.23 -0.07 0.00 -1.81 0.00 0.00 57.70 53.65 3b3m n MET 618 Cb 0.49 -1.64 0.03 0.00 -0.71 0.00 0.00 33.22 31.39 3b3m n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3b3m h ARG 619 N 3.37 0.19 -3.64 0.03 3.08 -2.04 -3.45 114.38 111.92 3b3m h ARG 619 Ca 0.00 -0.18 -0.26 0.00 0.07 0.00 0.00 59.98 59.61 3b3m h ARG 619 Cb 1.04 0.05 -0.31 0.00 0.08 0.00 0.00 29.97 30.83 3b3m h ARG 619 CO 0.11 0.89 -0.72 -1.59 -1.07 0.00 0.00 179.97 177.59 3b3m s LYS 620 N -3.34 -0.02 0.46 0.04 -2.85 -1.26 -5.04 119.74 107.74 3b3m s LYS 620 Ca -0.03 0.08 0.19 0.00 -1.00 0.00 0.00 55.97 55.21 3b3m s LYS 620 Cb 0.11 -0.11 1.17 0.00 -2.06 0.00 0.00 37.83 36.94 3b3m s LYS 620 CO 0.82 -0.07 1.94 1.79 0.10 0.00 0.00 175.35 179.93 3b3m h THR 621 N 5.64 0.77 0.00 3.79 1.35 -1.89 -2.43 112.91 120.13 3b3m h THR 621 Ca -0.33 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3b3m h THR 621 Cb 1.17 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3b3m h THR 621 CO 0.50 0.05 0.00 -1.54 -0.25 0.00 0.00 175.52 174.28 3b3m n SER 622 N -4.44 0.00 -0.12 5.36 3.41 -1.26 -0.51 113.62 116.07 3b3m n SER 622 Ca 0.13 0.20 0.13 0.00 -0.26 0.00 0.00 58.87 59.07 3b3m n SER 622 Cb 0.57 -0.24 0.46 0.00 -0.26 0.00 0.00 64.21 64.74 3b3m n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b3m n SER 623 N -1.24 0.59 -3.58 4.04 3.41 -0.92 -4.92 113.62 110.99 3b3m n SER 623 Ca 0.01 -0.48 -0.26 0.00 -0.26 0.00 0.00 58.87 57.88 3b3m n SER 623 Cb 0.02 0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.03 3b3m n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3b3m n LEU 624 N -1.04 -2.75 -0.22 1.04 4.77 0.34 -4.89 117.00 114.25 3b3m n LEU 624 Ca 0.11 -0.57 -0.08 0.00 -0.03 0.00 0.00 56.01 55.45 3b3m n LEU 624 Cb 0.32 -2.75 0.03 0.00 -2.33 0.00 0.00 43.42 38.69 3b3m n LEU 624 CO 0.27 0.45 0.93 4.11 -1.33 0.00 0.00 177.39 181.82 3b3m h TRP 625 N -2.04 1.04 -0.81 -1.77 5.08 -1.82 -0.39 115.95 115.23 3b3m h TRP 625 Ca -0.55 -0.12 0.02 0.00 1.08 0.00 0.00 58.89 59.32 3b3m h TRP 625 Cb 1.36 -0.29 -0.04 0.00 -3.00 0.00 0.00 29.16 27.19 3b3m h TRP 625 CO 0.55 0.86 0.53 0.87 -1.28 0.00 0.00 178.44 179.98 3b3m h LYS 626 N 0.91 1.03 -0.63 0.12 1.57 -1.90 0.44 116.57 118.11 3b3m h LYS 626 Ca 0.20 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 3b3m h LYS 626 Cb 0.34 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3b3m h LYS 626 CO 0.00 0.68 0.06 -0.44 -0.57 0.00 0.00 179.45 179.19 3b3m h ASP 627 N 1.06 1.03 -0.05 0.86 5.19 -1.85 -0.09 116.42 122.57 3b3m h ASP 627 Ca 0.31 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 3b3m h ASP 627 Cb -0.07 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.17 3b3m h ASP 627 CO -0.09 1.05 -0.01 1.56 -3.12 0.00 0.00 179.24 178.63 3b3m h GLN 628 N 0.99 0.10 -0.98 3.56 4.20 -0.38 -2.54 115.11 120.06 3b3m h GLN 628 Ca 0.19 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.89 3b3m h GLN 628 Cb 0.48 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 3b3m h GLN 628 CO 0.02 0.41 0.64 0.00 -0.67 0.00 0.00 178.83 179.23 3b3m h ALA 629 N 0.68 1.35 -0.45 3.87 0.00 -0.86 -2.50 119.26 121.35 3b3m h ALA 629 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3b3m h ALA 629 Cb 0.37 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3b3m h ALA 629 CO 0.00 0.57 0.22 1.25 0.00 0.00 0.00 179.25 181.29 3b3m h LEU 630 N 1.26 0.31 -0.57 0.00 5.85 -0.85 -1.35 115.31 119.96 3b3m h LEU 630 Ca 0.38 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.10 3b3m h LEU 630 Cb -0.04 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3b3m h LEU 630 CO -0.11 0.22 0.24 0.58 -0.34 0.00 0.00 178.44 179.03 3b3m h VAL 631 N 0.43 1.22 -0.36 1.05 2.07 -1.03 -2.28 116.25 117.36 3b3m h VAL 631 Ca 0.20 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 3b3m h VAL 631 Cb 0.12 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3b3m h VAL 631 CO -0.15 0.26 0.21 -0.33 0.02 0.00 0.00 177.57 177.59 3b3m h GLU 632 N 0.78 0.49 -0.99 1.57 4.39 -1.11 0.26 114.58 119.97 3b3m h GLU 632 Ca 0.19 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.89 3b3m h GLU 632 Cb 0.19 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.67 3b3m h GLU 632 CO -0.02 0.37 0.64 0.82 -1.16 0.00 0.00 179.01 179.67 3b3m h ILE 633 N 0.46 1.15 0.00 3.13 2.04 -1.14 -0.46 117.51 122.69 3b3m h ILE 633 Ca 0.13 -0.42 -0.15 0.00 1.00 0.00 0.00 64.86 65.42 3b3m h ILE 633 Cb 0.01 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 35.89 3b3m h ILE 633 CO -0.02 0.22 -0.69 0.78 0.00 0.00 0.00 178.15 178.44 3b3m h ASN 634 N 1.22 0.00 -0.30 1.72 2.35 -1.04 -1.98 115.58 117.55 3b3m h ASN 634 Ca 0.40 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.03 3b3m h ASN 634 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3b3m h ASN 634 CO -0.14 0.69 -0.25 0.40 -1.65 0.00 0.00 177.43 176.49 3b3m h ILE 635 N 0.00 1.27 -0.47 2.81 2.04 -0.24 -2.68 117.51 120.25 3b3m h ILE 635 Ca -0.01 -1.38 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 3b3m h ILE 635 Cb 1.25 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 3b3m h ILE 635 CO 0.09 0.46 0.01 0.00 0.00 0.00 0.00 178.15 178.71 3b3m h ALA 636 N 1.03 0.63 -0.13 1.87 0.00 -0.83 -0.52 119.26 121.32 3b3m h ALA 636 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3b3m h ALA 636 Cb 0.77 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3b3m h ALA 636 CO 0.06 0.41 0.06 0.28 0.00 0.00 0.00 179.25 180.06 3b3m h VAL 637 N 0.67 1.13 -0.51 0.00 2.07 -1.31 -0.21 116.25 118.10 3b3m h VAL 637 Ca 0.13 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3b3m h VAL 637 Cb 0.48 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3b3m h VAL 637 CO 0.02 0.12 0.28 -0.07 0.02 0.00 0.00 177.57 177.94 3b3m h LEU 638 N 0.07 0.63 -0.35 2.57 3.38 -1.40 -2.16 115.31 118.04 3b3m h LEU 638 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3b3m h LEU 638 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3b3m h LEU 638 CO -0.00 0.54 0.23 0.22 0.09 0.00 0.00 178.44 179.52 3b3m h TYR 639 N 0.67 0.45 0.01 1.13 3.20 -0.93 -1.25 116.97 120.25 3b3m h TYR 639 Ca 0.18 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3b3m h TYR 639 Cb 0.05 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3b3m h TYR 639 CO -0.02 0.29 -0.01 0.77 -1.64 0.00 0.00 178.16 177.55 3b3m h SER 640 N 0.47 -0.01 -0.47 -2.11 0.02 -0.89 0.58 113.55 111.13 3b3m h SER 640 Ca 0.13 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3b3m h SER 640 Cb -0.05 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3b3m h SER 640 CO -0.03 0.18 0.31 -0.26 -1.14 0.00 0.00 176.83 175.90 3b3m h PHE 641 N -0.21 0.59 -0.73 3.45 -1.00 -1.35 -0.16 116.94 117.54 3b3m h PHE 641 Ca -0.00 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 3b3m h PHE 641 Cb 0.20 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 3b3m h PHE 641 CO -0.01 0.37 0.31 1.96 -1.61 0.00 0.00 178.31 179.34 3b3m h GLN 642 N 0.64 1.07 -0.12 1.51 4.20 -1.16 0.34 115.11 121.60 3b3m h GLN 642 Ca 0.17 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 3b3m h GLN 642 Cb -0.07 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 3b3m h GLN 642 CO -0.04 0.87 -0.31 0.77 -0.67 0.00 0.00 178.83 179.45 3b3m h SER 643 N 1.03 0.22 -0.27 1.46 0.02 -0.42 -2.23 113.55 113.37 3b3m h SER 643 Ca 0.25 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3b3m h SER 643 Cb 0.18 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3b3m h SER 643 CO -0.02 0.53 0.00 0.47 -1.14 0.00 0.00 176.83 176.67 3b3m n ASP 644 N -4.11 2.16 -3.55 3.07 8.00 -0.11 -4.94 116.55 117.06 3b3m n ASP 644 Ca -0.01 -1.83 -0.24 0.00 0.71 0.00 0.00 54.79 53.42 3b3m n ASP 644 Cb 0.40 -0.17 0.08 0.00 -0.02 0.00 0.00 41.12 41.40 3b3m n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3b3m n LYS 645 N 0.65 -7.70 -4.09 -1.24 5.02 -0.45 -4.99 118.16 105.36 3b3m n LYS 645 Ca 0.16 0.84 -0.35 0.00 -2.02 0.00 0.00 58.31 56.94 3b3m n LYS 645 Cb 0.39 -5.88 -0.12 0.00 -0.02 0.00 0.00 35.03 29.40 3b3m n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3b3m s VAL 646 N -3.31 4.04 0.30 -0.18 1.01 -0.02 -4.24 120.40 118.01 3b3m s VAL 646 Ca 0.56 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3b3m s VAL 646 Cb -0.25 -2.82 -0.13 0.00 0.00 0.00 0.00 36.38 33.18 3b3m s VAL 646 CO 0.70 0.43 1.20 0.41 0.00 0.00 0.00 175.10 177.85 3b3m n THR 647 N 4.13 1.76 -3.52 3.92 -1.04 -0.17 -4.24 114.28 115.11 3b3m n THR 647 Ca -0.17 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.05 61.28 3b3m n THR 647 Cb 0.52 -1.32 -0.04 0.00 -1.82 0.00 0.00 70.33 67.67 3b3m n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3b3m s ILE 648 N -0.86 0.00 -0.00 12.58 2.07 -1.26 -4.43 121.20 129.29 3b3m s ILE 648 Ca 0.60 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.86 3b3m s ILE 648 Cb -0.64 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.94 3b3m s ILE 648 CO 0.59 0.00 -0.09 0.54 -1.91 0.00 0.00 174.94 174.07 3b3m s VAL 649 N -2.05 0.72 0.54 4.00 0.11 -0.59 -5.00 120.40 118.12 3b3m s VAL 649 Ca -0.02 -0.43 -0.07 0.00 -2.93 0.00 0.00 61.98 58.53 3b3m s VAL 649 Cb -0.01 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 3b3m s VAL 649 CO -0.01 0.17 0.87 1.51 -3.33 0.00 0.00 175.10 174.31 3b3m s ASP 650 N -0.30 6.16 0.55 3.54 -4.77 -1.26 -0.33 116.67 120.26 3b3m s ASP 650 Ca 0.03 1.05 0.30 0.00 -3.30 0.00 0.00 52.55 50.62 3b3m s ASP 650 Cb -0.04 -2.24 1.58 0.00 -1.09 0.00 0.00 42.92 41.13 3b3m s ASP 650 CO -0.00 -0.73 2.12 1.12 0.70 0.00 0.00 175.17 178.37 3b3m h HIS 651 N 0.01 0.00 0.21 2.11 2.07 -1.98 -0.74 115.15 116.83 3b3m h HIS 651 Ca -0.46 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.05 3b3m h HIS 651 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 3b3m h HIS 651 CO 0.59 0.09 -0.10 0.45 -3.07 0.00 0.00 177.93 175.88 3b3m h HIS 652 N 0.00 -0.26 -0.28 6.12 3.86 -1.95 -2.41 115.15 120.22 3b3m h HIS 652 Ca -0.00 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3b3m h HIS 652 Cb 0.27 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 3b3m h HIS 652 CO 0.00 0.12 -0.00 1.03 0.86 0.00 0.00 177.93 179.94 3b3m h SER 653 N -0.90 -0.12 -0.55 2.45 0.87 -1.93 -0.93 113.55 112.45 3b3m h SER 653 Ca -0.03 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3b3m h SER 653 Cb 0.50 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 3b3m h SER 653 CO 0.05 -0.03 0.35 0.00 -0.53 0.00 0.00 176.83 176.67 3b3m h ALA 654 N 1.24 0.71 -0.08 6.23 0.00 -1.22 -0.42 119.26 125.72 3b3m h ALA 654 Ca 0.13 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3b3m h ALA 654 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3b3m h ALA 654 CO -0.22 0.09 -0.71 1.79 0.00 0.00 0.00 179.25 180.19 3b3m h THR 655 N 0.69 1.38 -0.54 0.00 1.35 -1.28 -0.99 112.91 113.52 3b3m h THR 655 Ca 0.21 -2.11 -0.05 0.00 -0.55 0.00 0.00 66.41 63.91 3b3m h THR 655 Cb -0.02 2.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 3b3m h THR 655 CO -0.08 0.63 0.16 -0.08 -0.25 0.00 0.00 175.52 175.91 3b3m h GLU 656 N 0.27 0.84 -0.42 4.72 4.81 -0.92 -1.53 114.58 122.35 3b3m h GLU 656 Ca -0.03 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 58.89 3b3m h GLU 656 Cb 1.27 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3b3m h GLU 656 CO 0.12 0.78 -0.23 0.77 -0.73 0.00 0.00 179.01 179.72 3b3m h SER 657 N 0.75 0.88 -0.77 1.04 0.02 -0.97 -2.71 113.55 111.79 3b3m h SER 657 Ca 0.17 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3b3m h SER 657 Cb 0.30 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3b3m h SER 657 CO -0.00 1.08 0.47 0.15 -1.14 0.00 0.00 176.83 177.38 3b3m h PHE 658 N 0.75 1.01 -0.59 3.45 3.57 -0.85 0.18 116.94 124.47 3b3m h PHE 658 Ca 0.10 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3b3m h PHE 658 Cb 0.77 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3b3m h PHE 658 CO 0.04 0.68 0.17 0.82 -2.23 0.00 0.00 178.31 177.79 3b3m h ILE 659 N 1.07 1.24 -0.60 1.41 1.08 -1.06 0.34 117.51 121.00 3b3m h ILE 659 Ca 0.28 -0.84 -0.06 0.00 -0.39 0.00 0.00 64.86 63.84 3b3m h ILE 659 Cb -0.04 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 3b3m h ILE 659 CO -0.05 0.32 0.12 0.11 -0.69 0.00 0.00 178.15 177.96 3b3m h LYS 660 N 0.83 0.98 -0.02 2.37 1.57 -1.07 -0.43 116.57 120.79 3b3m h LYS 660 Ca 0.19 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3b3m h LYS 660 Cb 0.31 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3b3m h LYS 660 CO -0.00 0.91 0.01 1.25 -0.57 0.00 0.00 179.45 181.05 3b3m h HIS 661 N 0.88 0.03 -0.45 -1.35 2.76 -0.26 -1.23 115.15 115.54 3b3m h HIS 661 Ca 0.19 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.39 3b3m h HIS 661 Cb 0.38 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.30 3b3m h HIS 661 CO 0.03 0.04 0.24 1.98 -1.30 0.00 0.00 177.93 178.91 3b3m h MET 662 N 0.01 0.46 -0.49 5.26 1.85 -0.09 0.90 114.93 122.84 3b3m h MET 662 Ca 0.01 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 3b3m h MET 662 Cb 0.02 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.92 3b3m h MET 662 CO -0.00 0.30 0.26 0.93 -0.40 0.00 0.00 176.91 178.00 3b3m h GLU 663 N 0.47 0.69 -0.69 0.39 5.08 -0.96 -0.79 114.58 118.77 3b3m h GLU 663 Ca 0.19 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3b3m h GLU 663 Cb 0.07 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3b3m h GLU 663 CO -0.12 0.55 0.43 -0.97 -1.00 0.00 0.00 179.01 177.90 3b3m h ASN 664 N 0.64 0.72 -0.60 1.42 -1.24 -0.65 -2.33 115.58 113.54 3b3m h ASN 664 Ca 0.17 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.14 3b3m h ASN 664 Cb 0.07 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 3b3m h ASN 664 CO -0.03 0.50 0.25 -0.33 -1.29 0.00 0.00 177.43 176.54 3b3m h GLU 665 N 0.86 0.90 -0.66 6.67 4.39 -0.37 0.82 114.58 127.18 3b3m h GLU 665 Ca 0.27 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.83 3b3m h GLU 665 Cb -0.00 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 3b3m h GLU 665 CO -0.10 0.76 0.43 1.88 -1.16 0.00 0.00 179.01 180.81 3b3m h TYR 666 N 0.84 0.80 -0.18 4.33 -1.99 -0.81 0.65 116.97 120.60 3b3m h TYR 666 Ca 0.20 0.02 -0.17 0.00 2.00 0.00 0.00 58.73 60.79 3b3m h TYR 666 Cb 0.19 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.65 3b3m h TYR 666 CO 0.01 0.48 -0.54 0.00 -0.00 0.00 0.00 178.16 178.11 3b3m h ARG 667 N 0.85 0.69 0.00 4.88 3.08 -1.11 0.83 114.38 123.60 3b3m h ARG 667 Ca 0.26 -0.49 -0.19 0.00 0.07 0.00 0.00 59.98 59.62 3b3m h ARG 667 Cb -0.04 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3b3m h ARG 667 CO -0.08 1.11 -1.44 0.00 -1.07 0.00 0.00 179.97 178.49 3b3m n ARG 669 N -2.92 2.97 -0.56 0.00 0.63 0.22 -5.02 116.66 111.98 3b3m n ARG 669 Ca -0.11 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 3b3m n ARG 669 Cb 0.87 -0.87 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3b3m n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3b3m n GLY 670 N 1.70 0.70 0.00 5.14 0.00 0.29 -4.55 105.19 108.46 3b3m n GLY 670 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3b3m n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b3m n GLY 671 N -2.56 1.45 3.13 -0.02 0.00 -1.14 -0.17 105.19 105.87 3b3m n GLY 671 Ca 0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 3b3m n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3m n PRO 673 N 4.81 2.74 -3.78 0.00 -0.04 -1.26 -4.67 135.00 132.80 3b3m n PRO 673 Ca 0.08 0.98 -0.13 0.00 -0.04 0.00 0.00 63.50 64.39 3b3m n PRO 673 Cb 0.54 -2.79 -0.12 0.00 -0.04 0.00 0.00 33.50 31.10 3b3m n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b3m s ALA 674 N 0.45 -0.58 -0.64 0.55 0.00 -0.16 -4.20 121.76 117.18 3b3m s ALA 674 Ca 0.68 0.72 -0.16 0.00 0.00 0.00 0.00 51.96 53.21 3b3m s ALA 674 Cb -0.50 -0.43 0.15 0.00 0.00 0.00 0.00 23.12 22.34 3b3m s ALA 674 CO 0.42 -0.13 0.62 0.34 0.00 0.00 0.00 175.76 177.02 3b3m s ASP 675 N 0.33 6.37 0.25 0.00 -1.08 0.55 -3.50 116.67 119.59 3b3m s ASP 675 Ca -0.02 -2.01 -0.04 0.00 -0.52 0.00 0.00 52.55 49.96 3b3m s ASP 675 Cb -0.03 -2.23 0.50 0.00 -1.46 0.00 0.00 42.92 39.70 3b3m s ASP 675 CO -0.01 -0.81 1.67 -0.25 0.52 0.00 0.00 175.17 176.28 3b3m h TRP 676 N 8.61 0.21 -0.82 -5.34 7.01 -1.92 0.10 115.95 123.80 3b3m h TRP 676 Ca -0.17 0.05 0.19 0.00 2.11 0.00 0.00 58.89 61.06 3b3m h TRP 676 Cb 1.08 0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 28.11 3b3m h TRP 676 CO 0.84 -0.15 0.55 0.28 -2.79 0.00 0.00 178.44 177.18 3b3m h VAL 677 N 0.22 0.71 0.01 2.65 2.07 -1.92 -1.93 116.25 118.05 3b3m h VAL 677 Ca 0.44 -0.11 -0.35 0.00 0.82 0.00 0.00 66.70 67.49 3b3m h VAL 677 Cb 0.79 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3b3m h VAL 677 CO -0.57 0.06 -2.21 0.79 0.02 0.00 0.00 177.57 175.66 3b3m n TRP 678 N -4.46 0.36 -0.12 1.57 7.02 -0.04 -4.47 117.44 117.30 3b3m n TRP 678 Ca 0.17 0.11 -0.11 0.00 -1.02 0.00 0.00 57.50 56.65 3b3m n TRP 678 Cb 0.67 -1.06 -0.02 0.00 -2.42 0.00 0.00 31.31 28.47 3b3m n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3b3m h ILE 679 N 0.01 1.26 -2.65 -0.99 1.08 -0.58 -3.43 117.51 112.21 3b3m h ILE 679 Ca -0.48 -1.01 -0.53 0.00 -0.39 0.00 0.00 64.86 62.45 3b3m h ILE 679 Cb 2.11 1.23 0.03 0.00 -3.07 0.00 0.00 36.82 37.11 3b3m h ILE 679 CO 0.02 0.33 1.03 -0.69 -0.69 0.00 0.00 178.15 178.15 3b3m s VAL 680 N -4.95 2.93 0.71 1.67 1.01 -0.76 -4.92 120.40 116.10 3b3m s VAL 680 Ca -0.13 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 3b3m s VAL 680 Cb 0.09 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3b3m s VAL 680 CO 0.78 -0.00 0.94 -2.65 0.00 0.00 0.00 175.10 174.17 3b3m n PRO 681 N 5.64 0.52 0.00 2.72 -0.02 -1.26 -4.89 135.00 137.71 3b3m n PRO 681 Ca 0.16 0.23 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 3b3m n PRO 681 Cb 0.40 -2.20 0.48 0.00 -0.02 0.00 0.00 33.50 32.16 3b3m n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3b3m n PRO 682 N -1.75 0.72 -3.96 0.52 -0.04 -1.26 -4.34 135.00 124.89 3b3m n PRO 682 Ca 0.13 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 3b3m n PRO 682 Cb 0.49 -1.35 -0.09 0.00 -0.04 0.00 0.00 33.50 32.52 3b3m n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b3m s MET 683 N -2.00 0.72 -1.21 0.54 0.23 -1.26 -4.90 119.30 111.42 3b3m s MET 683 Ca 0.24 -1.06 -0.11 0.00 -1.03 0.00 0.00 55.69 53.73 3b3m s MET 683 Cb 0.11 0.28 0.10 0.00 -1.53 0.00 0.00 34.83 33.79 3b3m s MET 683 CO 0.19 -0.19 0.44 0.43 -2.03 0.00 0.00 175.02 173.86 3b3m n SER 684 N 0.07 -2.81 -0.22 -1.18 7.64 -1.26 -4.86 113.62 110.99 3b3m n SER 684 Ca -0.15 -0.45 -0.06 0.00 1.01 0.00 0.00 58.87 59.22 3b3m n SER 684 Cb 0.62 -2.37 -0.05 0.00 -1.01 0.00 0.00 64.21 61.39 3b3m n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3b3m n GLY 685 N -1.04 -2.74 0.00 0.23 0.00 -1.26 -1.73 105.19 98.66 3b3m n GLY 685 Ca 0.02 0.89 0.08 0.00 0.00 0.00 0.00 46.02 47.01 3b3m n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3b3m n SER 686 N -4.20 0.00 -0.85 1.61 3.41 -1.26 -2.16 113.62 110.17 3b3m n SER 686 Ca 0.01 0.38 0.07 0.00 -0.26 0.00 0.00 58.87 59.06 3b3m n SER 686 Cb 0.14 -0.44 0.20 0.00 -0.26 0.00 0.00 64.21 63.84 3b3m n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3b3m n ILE 687 N -1.44 0.68 -4.36 -1.33 -5.35 -0.70 -4.79 119.36 102.07 3b3m n ILE 687 Ca 0.05 -0.60 -0.31 0.00 -0.27 0.00 0.00 62.75 61.61 3b3m n ILE 687 Cb 0.17 0.23 -0.10 0.00 -1.74 0.00 0.00 39.64 38.20 3b3m n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3b3m s THR 688 N -1.48 3.71 0.47 7.28 -4.23 -0.92 -5.03 115.64 115.45 3b3m s THR 688 Ca 0.29 -0.87 0.26 0.00 -1.18 0.00 0.00 61.69 60.20 3b3m s THR 688 Cb 0.16 -2.66 0.30 0.00 1.34 0.00 0.00 72.50 71.63 3b3m s THR 688 CO 0.19 0.31 2.12 1.55 -0.54 0.00 0.00 174.62 178.24 3b3m h PRO 689 N 4.20 0.00 0.00 3.99 0.13 -1.86 -3.02 132.00 135.43 3b3m h PRO 689 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 3b3m h PRO 689 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3b3m h PRO 689 CO 0.55 0.09 -0.25 -0.39 -0.23 0.00 0.00 178.00 177.77 3b3m h VAL 690 N 0.00 0.90 -0.74 1.56 -1.51 -1.89 -2.77 116.25 111.81 3b3m h VAL 690 Ca -0.00 -0.94 0.06 0.00 -1.23 0.00 0.00 66.70 64.59 3b3m h VAL 690 Cb 0.23 1.55 -0.05 0.00 -2.13 0.00 0.00 31.29 30.89 3b3m h VAL 690 CO 0.01 0.24 0.48 0.15 -1.23 0.00 0.00 177.57 177.23 3b3m h PHE 691 N 0.00 0.79 -0.01 5.19 3.57 -1.72 -1.63 116.94 123.13 3b3m h PHE 691 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3b3m h PHE 691 Cb 0.53 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.01 3b3m h PHE 691 CO 0.00 0.42 -0.01 0.72 -2.23 0.00 0.00 178.31 177.21 3b3m n HIS 692 N -4.48 0.00 -3.59 0.41 8.25 -1.05 -4.85 115.22 109.92 3b3m n HIS 692 Ca 0.11 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.19 3b3m n HIS 692 Cb 0.21 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.21 3b3m n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3b3m s GLN 693 N -2.02 3.99 0.42 -0.41 2.00 -0.62 -0.98 119.66 122.05 3b3m s GLN 693 Ca 0.39 -0.27 -0.24 0.00 -2.00 0.00 0.00 55.36 53.24 3b3m s GLN 693 Cb 0.21 -3.63 -0.08 0.00 0.80 0.00 0.00 33.01 30.31 3b3m s GLN 693 CO 0.35 -0.13 1.10 -1.21 -0.50 0.00 0.00 175.29 174.90 3b3m s GLU 694 N 1.62 4.00 0.12 1.67 2.02 -0.70 -5.00 118.70 122.42 3b3m s GLU 694 Ca 0.08 1.63 0.01 0.00 0.02 0.00 0.00 54.97 56.71 3b3m s GLU 694 Cb -0.15 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 3b3m s GLU 694 CO 0.09 -0.31 -0.02 -1.64 0.02 0.00 0.00 175.26 173.40 3b3m s MET 695 N -2.58 0.89 -0.12 1.61 -1.94 -1.26 -4.63 119.30 111.27 3b3m s MET 695 Ca 0.60 -1.39 0.03 0.00 -1.71 0.00 0.00 55.69 53.22 3b3m s MET 695 Cb -0.25 -0.10 0.01 0.00 2.01 0.00 0.00 34.83 36.50 3b3m s MET 695 CO 0.31 -0.10 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.50 3b3m s LEU 696 N -3.06 2.00 -0.22 -0.03 1.43 -1.25 -4.95 118.68 112.59 3b3m s LEU 696 Ca 0.16 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.65 3b3m s LEU 696 Cb 0.06 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 3b3m s LEU 696 CO -0.02 0.08 0.04 0.21 0.23 0.00 0.00 176.35 176.89 3b3m s ASN 697 N 0.74 5.08 0.12 2.29 3.04 -1.23 -0.99 114.94 124.00 3b3m s ASN 697 Ca -0.10 -0.17 -0.15 0.00 0.04 0.00 0.00 52.86 52.49 3b3m s ASN 697 Cb -0.16 -1.89 0.03 0.00 -1.54 0.00 0.00 41.25 37.69 3b3m s ASN 697 CO 0.01 0.03 0.37 -0.72 -3.04 0.00 0.00 177.10 173.75 3b3m s TYR 698 N 1.20 -0.13 -0.24 0.43 -0.85 -1.26 -4.97 117.35 111.53 3b3m s TYR 698 Ca 0.04 -0.21 -0.08 0.00 -0.52 0.00 0.00 57.07 56.30 3b3m s TYR 698 Cb -0.14 0.21 -0.03 0.00 0.38 0.00 0.00 41.96 42.37 3b3m s TYR 698 CO 0.03 -0.69 0.09 1.03 -1.52 0.00 0.00 175.55 174.49 3b3m s ARG 699 N -3.82 3.75 0.14 -3.49 0.52 -1.26 -4.80 118.95 110.00 3b3m s ARG 699 Ca 0.04 -0.43 0.08 0.00 -0.52 0.00 0.00 55.73 54.90 3b3m s ARG 699 Cb 0.02 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 3b3m s ARG 699 CO -0.11 -0.12 -0.09 -0.51 0.02 0.00 0.00 175.30 174.49 3b3m s LEU 700 N 1.45 3.04 0.15 2.53 1.43 -1.26 -3.60 118.68 122.43 3b3m s LEU 700 Ca 0.06 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 3b3m s LEU 700 Cb -0.15 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3b3m s LEU 700 CO 0.05 0.14 -0.11 0.42 0.23 0.00 0.00 176.35 177.07 3b3m s THR 701 N -1.47 3.17 0.86 5.49 -4.23 -1.26 -4.22 115.64 113.99 3b3m s THR 701 Ca 0.23 -1.54 -0.12 0.00 -1.18 0.00 0.00 61.69 59.08 3b3m s THR 701 Cb -0.10 -2.53 0.10 0.00 1.34 0.00 0.00 72.50 71.30 3b3m s THR 701 CO 0.15 -0.03 1.05 -2.65 -0.54 0.00 0.00 174.62 172.60 3b3m n PRO 702 N 0.31 -0.11 -3.62 3.99 -0.02 -1.26 -5.01 135.00 129.28 3b3m n PRO 702 Ca -0.12 0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.29 3b3m n PRO 702 Cb 0.54 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 3b3m n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3b3m s SER 703 N -2.27 -0.37 -0.19 2.55 1.04 -0.82 -3.81 113.70 109.84 3b3m s SER 703 Ca 0.69 -0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.73 3b3m s SER 703 Cb -0.26 0.58 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 3b3m s SER 703 CO 0.56 -1.02 0.12 -0.36 0.98 0.00 0.00 173.24 173.52 3b3m s PHE 704 N -3.82 3.38 0.18 5.02 0.40 -1.26 -0.71 117.98 121.17 3b3m s PHE 704 Ca 0.05 0.28 0.08 0.00 -0.60 0.00 0.00 56.93 56.75 3b3m s PHE 704 Cb -0.01 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 3b3m s PHE 704 CO -0.07 0.28 -0.16 -1.21 0.70 0.00 0.00 175.22 174.76 3b3m s GLU 705 N 0.32 1.27 0.56 0.44 0.41 0.10 -4.93 118.70 116.87 3b3m s GLU 705 Ca 0.07 -1.47 -0.15 0.00 -0.41 0.00 0.00 54.97 53.01 3b3m s GLU 705 Cb -0.11 -1.18 -0.06 0.00 -1.78 0.00 0.00 34.13 31.00 3b3m s GLU 705 CO -0.01 0.22 1.01 0.71 -0.49 0.00 0.00 175.26 176.70 3b3m s TYR 706 N -2.49 3.37 0.04 1.61 4.12 -1.26 -0.26 117.35 122.47 3b3m s TYR 706 Ca 0.18 1.44 -0.06 0.00 0.02 0.00 0.00 57.07 58.65 3b3m s TYR 706 Cb -0.03 -2.83 -0.01 0.00 -1.52 0.00 0.00 41.96 37.57 3b3m s TYR 706 CO 0.06 -0.65 0.10 1.14 0.02 0.00 0.00 175.55 176.23 3b3m s GLN 707 N -4.36 0.59 0.59 -0.62 -2.07 -1.26 -4.74 119.66 107.79 3b3m s GLN 707 Ca 0.59 -0.75 -0.20 0.00 -1.82 0.00 0.00 55.36 53.17 3b3m s GLN 707 Cb -0.12 0.23 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 3b3m s GLN 707 CO 0.39 -0.15 1.33 -1.25 -1.32 0.00 0.00 175.29 174.29 3b3m s PRO 708 N -2.62 2.89 0.31 9.60 0.04 -1.26 -4.89 135.00 139.07 3b3m s PRO 708 Ca -0.05 2.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 3b3m s PRO 708 Cb -0.01 -2.08 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 3b3m s PRO 708 CO -0.05 -1.36 1.58 -0.25 0.04 0.00 0.00 177.00 176.96 3b3m n ASP 709 N -1.39 3.89 -0.15 6.66 8.00 -1.26 -4.88 116.55 127.40 3b3m n ASP 709 Ca 0.13 1.16 0.10 0.00 0.71 0.00 0.00 54.79 56.89 3b3m n ASP 709 Cb 0.46 -1.61 0.42 0.00 -0.02 0.00 0.00 41.12 40.37 3b3m n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3b3m h PRO 710 N 4.42 0.58 0.00 -0.24 0.13 -1.91 -2.17 132.00 132.82 3b3m h PRO 710 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3b3m h PRO 710 Cb 1.23 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3b3m h PRO 710 CO 0.76 0.39 0.00 0.11 -0.23 0.00 0.00 178.00 179.03 3b3m h TRP 711 N 0.60 0.00 0.00 1.56 0.09 -1.94 0.25 115.95 116.51 3b3m h TRP 711 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.30 3b3m h TRP 711 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.69 3b3m h TRP 711 CO -0.00 0.00 -0.73 0.09 0.09 0.00 0.00 178.44 177.89 3b3m n ASN 712 N -2.30 0.62 0.00 0.11 3.02 -0.82 -4.48 115.26 111.41 3b3m n ASN 712 Ca 0.01 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 3b3m n ASN 712 Cb 0.19 0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 3b3m n ASN 712 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3b3m n THR 713 N -1.76 0.00 -1.79 3.41 -2.24 -0.70 -5.07 114.28 106.14 3b3m n THR 713 Ca 0.04 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 3b3m n THR 713 Cb 0.39 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 3b3m n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3b3m s HIS 714 N -1.55 2.79 -0.44 4.78 5.04 0.80 -4.96 115.29 121.74 3b3m s HIS 714 Ca 0.00 0.75 -0.19 0.00 -1.54 0.00 0.00 55.06 54.08 3b3m s HIS 714 Cb 0.00 -4.06 0.03 0.00 0.04 0.00 0.00 32.58 28.59 3b3m s HIS 714 CO 0.00 -3.61 0.54 0.08 -2.34 0.00 0.00 174.74 169.41 3b3m s VAL 715 N 0.14 4.96 0.21 0.89 1.01 -1.26 -5.00 120.40 121.35 3b3m s VAL 715 Ca 0.64 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 3b3m s VAL 715 Cb -0.48 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.67 3b3m s VAL 715 CO 0.46 -0.56 1.33 0.26 0.00 0.00 0.00 175.10 176.59 3b3m s TRP 716 N 2.46 3.21 -0.15 5.22 0.52 -1.26 -4.87 118.94 124.08 3b3m s TRP 716 Ca 0.16 1.20 0.18 0.00 0.02 0.00 0.00 56.10 57.66 3b3m s TRP 716 Cb -0.16 -3.64 -0.25 0.00 -1.15 0.00 0.00 33.47 28.27 3b3m s TRP 716 CO 0.15 -2.00 0.26 1.63 0.02 0.00 0.00 176.95 177.01 3b3m n LYS 717 N 2.52 0.67 -0.61 4.98 4.01 -1.26 -5.10 118.16 123.37 3b3m n LYS 717 Ca 0.06 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 3b3m n LYS 717 Cb 0.42 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 33.36 3b3m n LYS 717 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70