#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzr s PHE 300 N 0.00 2.27 -0.11 -0.14 0.40 -1.26 -4.75 117.98 114.38 1zzr s PHE 300 Ca 0.00 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1zzr s PHE 300 Cb 0.00 -1.47 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1zzr s PHE 300 CO 0.00 -0.09 -0.18 -0.51 0.70 0.00 0.00 175.22 175.14 1zzr s LEU 301 N -0.46 1.87 -0.06 -0.37 1.43 -1.09 -4.93 118.68 115.08 1zzr s LEU 301 Ca 0.06 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1zzr s LEU 301 Cb -0.11 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1zzr s LEU 301 CO 0.00 0.05 0.05 -0.54 0.23 0.00 0.00 176.35 176.15 1zzr s LYS 302 N 0.83 3.07 0.06 1.70 1.02 -1.26 0.88 119.74 126.05 1zzr s LYS 302 Ca -0.09 -0.41 0.09 0.00 0.02 0.00 0.00 55.97 55.59 1zzr s LYS 302 Cb -0.16 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.25 1zzr s LYS 302 CO 0.00 0.69 -0.25 0.14 -0.92 0.00 0.00 175.35 175.01 1zzr s VAL 303 N -1.03 2.05 0.08 3.17 -7.23 -0.60 -4.96 120.40 111.86 1zzr s VAL 303 Ca 0.17 -1.41 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 1zzr s VAL 303 Cb -0.12 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 1zzr s VAL 303 CO 0.07 0.28 -0.21 -0.75 -0.31 0.00 0.00 175.10 174.18 1zzr s LYS 304 N -1.37 1.26 -0.31 4.82 2.20 -1.26 -0.82 119.74 124.25 1zzr s LYS 304 Ca 0.11 -1.07 -0.11 0.00 -0.36 0.00 0.00 55.97 54.54 1zzr s LYS 304 Cb -0.10 -1.47 -0.02 0.00 -1.51 0.00 0.00 37.83 34.73 1zzr s LYS 304 CO 0.03 0.36 0.18 1.21 -0.36 0.00 0.00 175.35 176.77 1zzr s ASN 305 N -1.58 5.78 0.00 1.43 3.84 -0.21 -1.55 114.94 122.65 1zzr s ASN 305 Ca 0.07 -0.35 0.30 0.00 0.21 0.00 0.00 52.86 53.10 1zzr s ASN 305 Cb -0.09 -2.07 1.74 0.00 -0.55 0.00 0.00 41.25 40.28 1zzr s ASN 305 CO 0.03 -0.16 2.13 0.79 -2.79 0.00 0.00 177.10 177.10 1zzr n TRP 306 N 5.04 0.00 -0.09 0.43 7.02 -0.37 0.23 117.44 129.69 1zzr n TRP 306 Ca -0.14 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.26 1zzr n TRP 306 Cb 0.50 -0.08 -0.16 0.00 -2.42 0.00 0.00 31.31 29.16 1zzr n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1zzr n GLU 307 N -1.08 0.69 0.00 -0.99 2.13 -1.26 -4.59 120.64 115.55 1zzr n GLU 307 Ca 0.21 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1zzr n GLU 307 Cb 0.14 -1.53 -0.00 0.00 0.27 0.00 0.00 31.44 30.32 1zzr n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1zzr n THR 308 N -2.73 0.00 -0.91 6.31 -2.24 -1.20 -5.01 114.28 108.52 1zzr n THR 308 Ca -0.31 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1zzr n THR 308 Cb 1.12 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.36 1zzr n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1zzr n ASP 309 N -0.47 -3.94 -4.74 3.42 10.43 0.14 -4.97 116.55 116.42 1zzr n ASP 309 Ca 0.00 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.95 1zzr n ASP 309 Cb 0.01 -2.53 -0.03 0.00 1.84 0.00 0.00 41.12 40.41 1zzr n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1zzr s VAL 310 N -1.38 3.27 -0.08 2.53 1.01 -1.23 -4.76 120.40 119.77 1zzr s VAL 310 Ca 0.00 1.05 0.05 0.00 0.00 0.00 0.00 61.98 63.08 1zzr s VAL 310 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1zzr s VAL 310 CO 0.00 0.16 -0.23 -0.69 0.00 0.00 0.00 175.10 174.34 1zzr s VAL 311 N 0.09 2.24 0.19 2.92 1.01 -1.26 -1.04 120.40 124.55 1zzr s VAL 311 Ca 0.56 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.66 1zzr s VAL 311 Cb -0.36 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1zzr s VAL 311 CO 0.38 0.56 -0.17 -0.76 0.00 0.00 0.00 175.10 175.12 1zzr s LEU 312 N -0.02 2.71 -0.08 3.92 1.43 -0.01 -4.96 118.68 121.67 1zzr s LEU 312 Ca -0.07 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.32 1zzr s LEU 312 Cb -0.15 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 1zzr s LEU 312 CO 0.05 0.11 -0.15 -0.89 0.23 0.00 0.00 176.35 175.70 1zzr s THR 313 N -1.75 2.96 -0.20 5.49 2.01 -1.26 -1.56 115.64 121.32 1zzr s THR 313 Ca 0.23 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1zzr s THR 313 Cb -0.08 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.26 1zzr s THR 313 CO 0.13 0.57 -0.13 -0.62 -0.69 0.00 0.00 174.62 173.88 1zzr s ASP 314 N -0.32 3.71 -0.03 3.53 -1.08 0.26 -4.65 116.67 118.09 1zzr s ASP 314 Ca 0.03 -0.58 0.09 0.00 -0.52 0.00 0.00 52.55 51.57 1zzr s ASP 314 Cb -0.13 -1.60 -0.14 0.00 -1.46 0.00 0.00 42.92 39.59 1zzr s ASP 314 CO 0.03 -0.02 0.18 0.35 0.52 0.00 0.00 175.17 176.22 1zzr n THR 315 N 4.69 0.13 -0.18 1.71 -2.24 0.24 -2.66 114.28 115.96 1zzr n THR 315 Ca -0.19 -0.25 0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1zzr n THR 315 Cb 0.50 0.06 0.46 0.00 -2.10 0.00 0.00 70.33 69.25 1zzr n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1zzr h LEU 316 N 0.00 0.48 -2.17 3.22 5.85 -1.40 -1.48 115.31 119.80 1zzr h LEU 316 Ca -0.05 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1zzr h LEU 316 Cb 0.67 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1zzr h LEU 316 CO 0.00 0.26 0.27 1.12 -0.34 0.00 0.00 178.44 179.75 1zzr h HIS 317 N 0.51 0.00 0.00 1.25 2.07 -1.83 0.83 115.15 117.98 1zzr h HIS 317 Ca 0.38 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.87 1zzr h HIS 317 Cb 0.74 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.72 1zzr h HIS 317 CO -0.00 0.00 -0.11 -0.07 -3.07 0.00 0.00 177.93 174.68 1zzr h LEU 318 N 0.00 0.00 -1.04 6.12 3.38 -1.60 -1.73 115.31 120.43 1zzr h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1zzr h LEU 318 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1zzr h LEU 318 CO 0.00 0.11 0.00 0.29 0.09 0.00 0.00 178.44 178.93 1zzr n LYS 319 N -3.39 1.69 -2.65 1.13 4.76 0.28 -4.88 118.16 115.10 1zzr n LYS 319 Ca -0.01 -1.03 -0.43 0.00 -2.87 0.00 0.00 58.31 53.97 1zzr n LYS 319 Cb 0.29 -1.38 -0.02 0.00 -1.84 0.00 0.00 35.03 32.08 1zzr n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1zzr s SER 320 N -1.54 7.12 -0.18 4.39 0.15 -0.65 -4.91 113.70 118.07 1zzr s SER 320 Ca 0.32 1.44 -0.14 0.00 0.70 0.00 0.00 55.95 58.27 1zzr s SER 320 Cb 0.17 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.86 1zzr s SER 320 CO 0.25 -0.62 -0.30 0.35 1.20 0.00 0.00 173.24 174.12 1zzr n THR 321 N 5.14 1.38 -0.82 6.45 -2.24 -1.25 -5.01 114.28 117.93 1zzr n THR 321 Ca 0.11 -0.05 -0.33 0.00 -2.27 0.00 0.00 64.05 61.52 1zzr n THR 321 Cb 0.47 -2.04 0.12 0.00 -2.10 0.00 0.00 70.33 66.77 1zzr n THR 321 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1zzr n LEU 322 N -4.19 -0.37 -4.91 3.22 4.77 -1.26 -4.99 117.00 109.27 1zzr n LEU 322 Ca -0.27 0.33 -0.27 0.00 -0.03 0.00 0.00 56.01 55.77 1zzr n LEU 322 Cb 0.61 -1.19 0.01 0.00 -2.33 0.00 0.00 43.42 40.52 1zzr n LEU 322 CO 0.11 -3.70 0.46 -1.61 -1.33 0.00 0.00 177.39 171.32 1zzr s GLU 323 N -3.55 3.36 -0.11 3.23 2.02 -1.26 -4.62 118.70 117.77 1zzr s GLU 323 Ca 0.57 0.12 0.19 0.00 0.02 0.00 0.00 54.97 55.86 1zzr s GLU 323 Cb -0.21 -2.36 -0.28 0.00 0.10 0.00 0.00 34.13 31.38 1zzr s GLU 323 CO 0.68 -0.33 0.25 0.25 0.02 0.00 0.00 175.26 176.12 1zzr n THR 324 N -2.33 0.71 0.00 3.63 -2.24 -1.26 -4.81 114.28 107.97 1zzr n THR 324 Ca 0.02 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1zzr n THR 324 Cb 0.56 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1zzr n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zzr n GLY 325 N 1.58 0.47 3.96 3.38 0.00 -1.26 -4.93 105.19 108.40 1zzr n GLY 325 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 1zzr n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zzr n THR 327 N -1.45 0.00 0.44 0.00 -2.24 -0.59 -5.00 114.28 105.45 1zzr n THR 327 Ca -0.07 -2.29 0.11 0.00 -2.27 0.00 0.00 64.05 59.54 1zzr n THR 327 Cb 0.57 1.01 0.46 0.00 -2.10 0.00 0.00 70.33 70.27 1zzr n THR 327 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1zzr n GLU 328 N -0.72 0.17 0.00 -0.78 4.71 -1.26 -3.00 120.64 119.77 1zzr n GLU 328 Ca 0.02 0.37 0.07 0.00 -0.01 0.00 0.00 57.16 57.61 1zzr n GLU 328 Cb 0.58 -1.81 -0.07 0.00 -1.01 0.00 0.00 31.44 29.12 1zzr n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1zzr n HIS 329 N -2.13 0.00 -3.66 -0.32 8.25 -1.26 -5.01 115.22 111.09 1zzr n HIS 329 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 1zzr n HIS 329 Cb 0.24 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.27 1zzr n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1zzr s ILE 330 N -2.33 -0.00 -0.17 1.59 2.07 -1.16 -5.14 121.20 116.05 1zzr s ILE 330 Ca 0.07 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.23 1zzr s ILE 330 Cb 0.11 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.80 1zzr s ILE 330 CO 0.58 0.00 0.08 0.00 -1.91 0.00 0.00 174.94 173.69 1zzr n MET 332 N 3.32 1.95 0.07 0.00 0.00 -1.26 -4.79 117.12 116.40 1zzr n MET 332 Ca -0.17 -2.71 0.21 0.00 0.00 0.00 0.00 57.70 55.03 1zzr n MET 332 Cb 0.52 -1.65 0.69 0.00 0.00 0.00 0.00 33.22 32.79 1zzr n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1zzr h GLY 333 N 0.75 0.00 -2.02 3.03 0.00 -1.93 -0.98 103.07 101.92 1zzr h GLY 333 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1zzr h GLY 333 CO 0.10 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.50 1zzr n SER 334 N -3.53 3.39 -4.71 0.19 3.41 -1.26 -4.83 113.62 106.28 1zzr n SER 334 Ca 0.09 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.32 1zzr n SER 334 Cb 0.75 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 1zzr n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1zzr s ILE 335 N -1.08 4.82 0.05 -1.33 -1.09 -0.37 -4.97 121.20 117.22 1zzr s ILE 335 Ca 0.36 1.99 -0.23 0.00 -2.23 0.00 0.00 60.65 60.54 1zzr s ILE 335 Cb 0.19 -4.29 -0.15 0.00 -1.58 0.00 0.00 42.46 36.64 1zzr s ILE 335 CO 0.26 0.20 1.50 0.58 -1.23 0.00 0.00 174.94 176.24 1zzr h VAL 336 N 4.66 1.23 -2.99 2.92 2.07 -1.92 -3.38 116.25 118.83 1zzr h VAL 336 Ca -0.41 -0.70 -0.62 0.00 0.82 0.00 0.00 66.70 65.79 1zzr h VAL 336 Cb 1.22 1.54 -0.41 0.00 -1.52 0.00 0.00 31.29 32.12 1zzr h VAL 336 CO 0.74 0.20 -0.68 -0.76 0.02 0.00 0.00 177.57 177.09 1zzr s LEU 337 N -9.62 3.75 0.47 2.57 1.43 -1.26 -5.15 118.68 110.86 1zzr s LEU 337 Ca -0.14 -3.35 0.18 0.00 -1.03 0.00 0.00 54.13 49.79 1zzr s LEU 337 Cb 0.05 -1.32 1.12 0.00 0.03 0.00 0.00 46.19 46.07 1zzr s LEU 337 CO 0.69 -0.16 2.01 -0.65 0.23 0.00 0.00 176.35 178.47 1zzr h PRO 338 N 5.88 0.00 -2.33 1.29 0.11 -1.92 -3.54 132.00 131.49 1zzr h PRO 338 Ca 0.10 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.92 1zzr h PRO 338 Cb 0.84 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 1zzr h PRO 338 CO 0.61 0.17 0.58 1.55 -0.21 0.00 0.00 178.00 180.70 1zzr n VAL 348 N -4.13 0.00 -1.68 3.15 3.14 -1.26 -4.99 118.33 112.55 1zzr n VAL 348 Ca -0.02 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.06 1zzr n VAL 348 Cb 0.25 -0.20 0.07 0.00 -1.06 0.00 0.00 33.84 32.89 1zzr n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1zzr s ARG 349 N 2.74 2.52 0.12 1.45 0.52 -1.26 -5.09 118.95 119.95 1zzr s ARG 349 Ca 0.50 0.62 0.04 0.00 -0.52 0.00 0.00 55.73 56.37 1zzr s ARG 349 Cb -0.58 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 1zzr s ARG 349 CO 0.25 -1.31 0.13 0.99 0.02 0.00 0.00 175.30 175.37 1zzr s THR 350 N -3.21 4.61 0.46 0.02 2.01 -1.26 -4.99 115.64 113.27 1zzr s THR 350 Ca 0.59 -0.89 0.20 0.00 0.31 0.00 0.00 61.69 61.91 1zzr s THR 350 Cb -0.13 -3.30 0.39 0.00 0.01 0.00 0.00 72.50 69.48 1zzr s THR 350 CO 0.53 0.00 1.90 0.11 -0.69 0.00 0.00 174.62 176.48 1zzr h LYS 351 N 2.79 0.28 0.03 4.92 1.57 -1.96 -0.16 116.57 124.03 1zzr h LYS 351 Ca -0.47 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1zzr h LYS 351 Cb 1.18 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1zzr h LYS 351 CO 0.65 0.18 -0.12 0.22 -0.57 0.00 0.00 179.45 179.81 1zzr h ASP 352 N 0.28 -0.34 0.23 0.86 3.58 -1.98 -2.98 116.42 116.08 1zzr h ASP 352 Ca 0.40 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.90 1zzr h ASP 352 Cb 1.14 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1zzr h ASP 352 CO -0.11 -0.18 -0.22 0.00 -2.88 0.00 0.00 179.24 175.86 1zzr n GLN 353 N -5.25 0.88 -0.08 0.28 0.00 -0.46 -4.45 117.38 108.30 1zzr n GLN 353 Ca -0.06 -0.49 -0.15 0.00 0.00 0.00 0.00 57.00 56.30 1zzr n GLN 353 Cb 0.17 -1.49 -0.11 0.00 0.00 0.00 0.00 30.24 28.81 1zzr n GLN 353 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1zzr h LEU 354 N 1.20 0.00 -1.10 2.61 5.85 -0.92 -3.33 115.31 119.62 1zzr h LEU 354 Ca 0.00 -0.69 0.09 0.00 0.84 0.00 0.00 57.88 58.11 1zzr h LEU 354 Cb 0.49 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 1zzr h LEU 354 CO 0.00 1.11 0.61 0.15 -0.34 0.00 0.00 178.44 179.96 1zzr h PHE 355 N -1.00 1.08 -0.76 1.25 3.57 -1.77 0.10 116.94 119.41 1zzr h PHE 355 Ca -0.12 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 1zzr h PHE 355 Cb 0.99 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1zzr h PHE 355 CO 0.17 0.51 0.31 -1.00 -2.23 0.00 0.00 178.31 176.07 1zzr h PRO 356 N 1.01 1.13 -0.48 6.41 0.13 -1.81 0.19 132.00 138.58 1zzr h PRO 356 Ca 0.43 -0.20 -0.02 0.00 -0.87 0.00 0.00 66.00 65.34 1zzr h PRO 356 Cb 0.33 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 1zzr h PRO 356 CO -0.19 0.92 0.23 -0.07 -0.23 0.00 0.00 178.00 178.66 1zzr h LEU 357 N 1.10 0.63 -0.10 1.56 3.38 -1.37 -0.77 115.31 119.74 1zzr h LEU 357 Ca 0.25 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1zzr h LEU 357 Cb 0.21 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1zzr h LEU 357 CO -0.02 0.58 0.06 0.00 0.09 0.00 0.00 178.44 179.15 1zzr h ALA 358 N 1.07 0.13 -0.35 1.53 0.00 -0.46 -2.65 119.26 118.52 1zzr h ALA 358 Ca 0.16 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1zzr h ALA 358 Cb 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1zzr h ALA 358 CO -0.02 -0.35 -0.02 -0.22 0.00 0.00 0.00 179.25 178.64 1zzr h LYS 359 N 0.09 0.08 -0.51 0.00 3.64 -0.29 0.36 116.57 119.93 1zzr h LYS 359 Ca 0.04 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1zzr h LYS 359 Cb 0.04 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1zzr h LYS 359 CO -0.01 0.05 0.28 0.93 -2.27 0.00 0.00 179.45 178.43 1zzr h GLU 360 N 0.08 0.53 0.23 1.90 5.08 -1.07 0.20 114.58 121.53 1zzr h GLU 360 Ca 0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1zzr h GLU 360 Cb 0.24 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1zzr h GLU 360 CO -0.30 0.35 -0.11 0.35 -1.00 0.00 0.00 179.01 178.30 1zzr h PHE 361 N 0.54 -0.29 -0.92 4.33 3.57 -1.03 -0.36 116.94 122.78 1zzr h PHE 361 Ca 0.22 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.75 1zzr h PHE 361 Cb 0.09 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1zzr h PHE 361 CO -0.09 -0.17 0.61 -0.07 -2.23 0.00 0.00 178.31 176.36 1zzr h LEU 362 N -0.33 1.00 -0.60 0.59 3.38 -0.54 0.33 115.31 119.15 1zzr h LEU 362 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1zzr h LEU 362 Cb 0.25 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1zzr h LEU 362 CO 0.05 0.69 0.29 0.44 0.09 0.00 0.00 178.44 180.00 1zzr h ASP 363 N 1.16 0.78 -0.54 -0.43 3.45 -0.29 0.26 116.42 120.81 1zzr h ASP 363 Ca 0.37 -0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.67 1zzr h ASP 363 Cb 0.01 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 1zzr h ASP 363 CO -0.11 0.69 0.23 1.56 -1.57 0.00 0.00 179.24 180.04 1zzr h GLN 364 N 0.81 0.80 -0.09 3.56 4.20 0.19 -1.34 115.11 123.24 1zzr h GLN 364 Ca 0.20 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 1zzr h GLN 364 Cb 0.12 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1zzr h GLN 364 CO -0.03 0.69 0.05 -0.92 -0.67 0.00 0.00 178.83 177.95 1zzr h TYR 365 N 0.73 0.13 0.00 2.96 3.20 0.18 -1.41 116.97 122.76 1zzr h TYR 365 Ca 0.18 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 1zzr h TYR 365 Cb 0.18 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1zzr h TYR 365 CO 0.00 0.18 -0.31 1.88 -1.64 0.00 0.00 178.16 178.28 1zzr h TYR 366 N 0.04 0.00 -0.28 -3.82 -1.99 -0.34 -2.30 116.97 108.27 1zzr h TYR 366 Ca 0.03 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.59 1zzr h TYR 366 Cb 0.10 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.82 1zzr h TYR 366 CO -0.04 0.31 -0.49 0.77 -0.00 0.00 0.00 178.16 178.71 1zzr h SER 367 N 0.00 0.84 -0.50 3.88 0.02 -1.04 -0.38 113.55 116.37 1zzr h SER 367 Ca -0.00 -0.42 0.02 0.00 -0.84 0.00 0.00 61.79 60.55 1zzr h SER 367 Cb 0.63 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1zzr h SER 367 CO 0.04 1.19 0.33 0.77 -1.14 0.00 0.00 176.83 178.01 1zzr h SER 368 N 0.61 0.51 -0.58 3.07 4.64 -0.70 -1.58 113.55 119.52 1zzr h SER 368 Ca 0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1zzr h SER 368 Cb 1.06 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1zzr h SER 368 CO 0.10 0.36 0.00 2.30 -0.87 0.00 0.00 176.83 178.73 1zzr n ILE 369 N -4.47 0.86 -3.45 0.95 -5.35 -1.04 -4.96 119.36 101.91 1zzr n ILE 369 Ca 0.05 -0.80 -0.19 0.00 -0.27 0.00 0.00 62.75 61.54 1zzr n ILE 369 Cb 0.11 0.35 0.08 0.00 -1.74 0.00 0.00 39.64 38.45 1zzr n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1zzr n LYS 370 N 1.17 -6.91 -1.63 6.28 4.76 -0.59 -4.92 118.16 116.32 1zzr n LYS 370 Ca 0.20 0.82 0.02 0.00 -2.87 0.00 0.00 58.31 56.48 1zzr n LYS 370 Cb 0.52 -5.79 0.02 0.00 -1.84 0.00 0.00 35.03 27.94 1zzr n LYS 370 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1zzr n ARG 371 N -4.34 0.25 -2.19 1.97 5.12 -0.18 -5.04 116.66 112.25 1zzr n ARG 371 Ca -0.18 -2.05 -0.41 0.00 -1.93 0.00 0.00 57.85 53.27 1zzr n ARG 371 Cb 0.63 -0.13 -0.03 0.00 -1.16 0.00 0.00 32.46 31.77 1zzr n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1zzr s PHE 372 N -0.48 3.21 0.00 -1.55 5.36 -1.11 -2.22 117.98 121.20 1zzr s PHE 372 Ca 0.28 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 1zzr s PHE 372 Cb 0.33 -3.62 0.00 0.00 -0.34 0.00 0.00 43.02 39.39 1zzr s PHE 372 CO -0.13 -1.90 0.00 0.41 -1.46 0.00 0.00 175.22 172.14 1zzr n GLY 373 N 2.03 2.05 3.43 13.12 0.00 -1.26 -5.01 105.19 119.55 1zzr n GLY 373 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1zzr n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zzr s SER 374 N -3.46 0.19 0.17 1.61 1.04 -0.94 -4.75 113.70 107.56 1zzr s SER 374 Ca 0.00 1.11 -0.04 0.00 0.48 0.00 0.00 55.95 57.50 1zzr s SER 374 Cb 0.00 -1.67 0.06 0.00 0.10 0.00 0.00 66.02 64.51 1zzr s SER 374 CO 0.00 -4.63 1.46 0.50 0.98 0.00 0.00 173.24 171.55 1zzr h LYS 375 N -2.92 0.58 -0.32 4.02 3.64 -1.95 -2.02 116.57 117.61 1zzr h LYS 375 Ca -0.53 -0.40 -0.04 0.00 -1.27 0.00 0.00 60.65 58.42 1zzr h LYS 375 Cb 1.33 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 1zzr h LYS 375 CO 0.41 1.01 0.04 0.00 -2.27 0.00 0.00 179.45 178.64 1zzr h ALA 376 N 0.90 1.48 0.14 5.00 0.00 -1.92 -0.28 119.26 124.58 1zzr h ALA 376 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1zzr h ALA 376 Cb 1.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1zzr h ALA 376 CO 0.11 0.38 -0.07 1.25 0.00 0.00 0.00 179.25 180.93 1zzr h HIS 377 N 0.46 -0.17 -0.68 0.00 -0.00 -1.73 -2.28 115.15 110.74 1zzr h HIS 377 Ca 0.11 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 1zzr h HIS 377 Cb 0.25 0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.68 1zzr h HIS 377 CO 0.01 0.23 0.36 0.52 -0.00 0.00 0.00 177.93 179.05 1zzr h MET 378 N -0.65 0.97 -0.86 5.26 2.07 -1.24 -1.98 114.93 118.51 1zzr h MET 378 Ca -0.02 -0.12 -0.02 0.00 -2.07 0.00 0.00 59.70 57.47 1zzr h MET 378 Cb 0.49 -0.18 -0.04 0.00 -1.87 0.00 0.00 31.60 29.99 1zzr h MET 378 CO 0.03 0.74 0.47 -0.44 1.07 0.00 0.00 176.91 178.78 1zzr h ASP 379 N 0.94 1.08 -0.31 1.22 3.32 -1.10 -1.79 116.42 119.77 1zzr h ASP 379 Ca 0.24 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1zzr h ASP 379 Cb 0.07 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1zzr h ASP 379 CO -0.04 0.87 0.12 -0.09 -1.72 0.00 0.00 179.24 178.38 1zzr h ARG 380 N 1.20 0.48 -0.84 3.56 9.65 -1.05 0.46 114.38 127.85 1zzr h ARG 380 Ca 0.30 -0.09 0.05 0.00 -1.10 0.00 0.00 59.98 59.14 1zzr h ARG 380 Cb 0.04 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.48 1zzr h ARG 380 CO -0.05 0.50 0.52 -0.07 2.80 0.00 0.00 179.97 183.67 1zzr h LEU 381 N 0.36 0.83 -0.41 3.80 3.38 -1.12 -0.20 115.31 121.94 1zzr h LEU 381 Ca 0.10 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1zzr h LEU 381 Cb 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1zzr h LEU 381 CO -0.01 0.54 -0.06 -0.08 0.09 0.00 0.00 178.44 178.92 1zzr h GLU 382 N 0.97 0.76 -0.33 1.13 4.81 -1.05 -1.04 114.58 119.83 1zzr h GLU 382 Ca 0.36 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1zzr h GLU 382 Cb 0.13 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1zzr h GLU 382 CO -0.16 0.87 0.21 1.49 -0.73 0.00 0.00 179.01 180.70 1zzr h GLU 383 N 0.58 0.44 -0.49 1.92 4.81 -0.33 -0.31 114.58 121.20 1zzr h GLU 383 Ca 0.11 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1zzr h GLU 383 Cb 0.57 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1zzr h GLU 383 CO 0.03 0.32 0.03 0.28 -0.73 0.00 0.00 179.01 178.94 1zzr h VAL 384 N 0.44 1.26 -0.19 0.32 2.07 -0.99 0.18 116.25 119.34 1zzr h VAL 384 Ca 0.12 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1zzr h VAL 384 Cb -0.02 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1zzr h VAL 384 CO -0.02 0.36 0.11 -1.13 0.02 0.00 0.00 177.57 176.90 1zzr h ASN 385 N 0.71 0.23 -0.47 0.57 -0.00 -1.03 0.21 115.58 115.80 1zzr h ASN 385 Ca 0.14 -0.06 -0.01 0.00 -0.00 0.00 0.00 56.30 56.38 1zzr h ASN 385 Cb 0.46 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 38.71 1zzr h ASN 385 CO 0.02 0.22 0.27 0.11 -0.00 0.00 0.00 177.43 178.05 1zzr h LYS 386 N 0.21 0.64 -0.94 6.67 1.57 -0.91 -1.94 116.57 121.88 1zzr h LYS 386 Ca 0.07 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1zzr h LYS 386 Cb 0.04 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.17 1zzr h LYS 386 CO -0.01 0.49 0.60 1.49 -0.57 0.00 0.00 179.45 181.45 1zzr h GLU 387 N 0.62 1.25 0.46 3.15 4.81 -0.55 0.45 114.58 124.77 1zzr h GLU 387 Ca 0.17 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1zzr h GLU 387 Cb 0.02 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.13 1zzr h GLU 387 CO -0.03 0.85 -0.22 0.82 -0.73 0.00 0.00 179.01 179.69 1zzr h ILE 388 N 1.28 0.49 -0.15 2.32 2.04 -0.17 0.32 117.51 123.63 1zzr h ILE 388 Ca 0.34 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1zzr h ILE 388 Cb -0.11 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1zzr h ILE 388 CO -0.07 0.06 0.10 1.05 0.00 0.00 0.00 178.15 179.29 1zzr h GLU 389 N -0.85 0.10 -0.01 2.37 4.11 -1.28 2.99 114.58 122.00 1zzr h GLU 389 Ca -0.06 -0.01 -0.19 0.00 0.07 0.00 0.00 59.36 59.17 1zzr h GLU 389 Cb 0.57 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.81 1zzr h GLU 389 CO 0.10 0.06 -0.75 1.03 0.07 0.00 0.00 179.01 179.53 1zzr h SER 390 N 0.10 0.68 0.00 3.06 0.87 -0.63 -3.39 113.55 114.24 1zzr h SER 390 Ca 0.06 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 1zzr h SER 390 Cb 0.13 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1zzr h SER 390 CO -0.01 1.33 0.00 0.35 -0.53 0.00 0.00 176.83 177.97 1zzr n THR 391 N -4.09 0.00 -0.60 2.23 -2.24 0.11 -5.01 114.28 104.68 1zzr n THR 391 Ca -0.10 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1zzr n THR 391 Cb 0.74 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 1zzr n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1zzr n SER 392 N -0.73 0.00 -0.58 3.42 7.64 0.99 -4.96 113.62 119.40 1zzr n SER 392 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1zzr n SER 392 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1zzr n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1zzr n THR 393 N -2.00 0.00 -3.48 0.44 5.66 -1.24 -4.69 114.28 108.97 1zzr n THR 393 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 1zzr n THR 393 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1zzr n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1zzr s TYR 394 N -4.48 -0.45 -0.10 1.09 -0.85 -1.26 -3.04 117.35 108.26 1zzr s TYR 394 Ca 0.00 0.41 -0.04 0.00 -0.52 0.00 0.00 57.07 56.92 1zzr s TYR 394 Cb 0.00 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.82 1zzr s TYR 394 CO 0.00 -0.64 0.08 -0.65 -1.52 0.00 0.00 175.55 172.82 1zzr s GLN 395 N -2.89 3.22 0.30 -3.49 -1.52 -1.26 -5.03 119.66 108.99 1zzr s GLN 395 Ca 0.01 -0.27 -0.16 0.00 -1.95 0.00 0.00 55.36 52.98 1zzr s GLN 395 Cb -0.01 -3.00 -0.09 0.00 -0.22 0.00 0.00 33.01 29.70 1zzr s GLN 395 CO -0.07 0.74 0.75 -0.51 -0.25 0.00 0.00 175.29 175.95 1zzr s LEU 396 N -1.00 4.13 0.75 2.90 1.43 -1.26 -5.07 118.68 120.56 1zzr s LEU 396 Ca 0.15 1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 1zzr s LEU 396 Cb -0.12 -3.99 0.04 0.00 0.03 0.00 0.00 46.19 42.16 1zzr s LEU 396 CO 0.04 -0.16 1.08 -0.54 0.23 0.00 0.00 176.35 177.00 1zzr s LYS 397 N -2.74 2.46 0.22 1.70 -0.14 -1.26 -4.84 119.74 115.15 1zzr s LYS 397 Ca 0.52 0.72 -0.08 0.00 -1.36 0.00 0.00 55.97 55.77 1zzr s LYS 397 Cb -0.12 -1.95 0.24 0.00 -1.68 0.00 0.00 37.83 34.32 1zzr s LYS 397 CO 0.18 -1.37 1.85 -0.44 -0.76 0.00 0.00 175.35 174.81 1zzr h ASP 398 N -0.91 0.79 -0.77 2.83 5.19 -1.99 -1.63 116.42 119.92 1zzr h ASP 398 Ca -0.46 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.97 1zzr h ASP 398 Cb 1.25 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.55 1zzr h ASP 398 CO 0.59 0.53 0.51 0.71 -3.12 0.00 0.00 179.24 178.46 1zzr h THR 399 N 0.93 1.19 -0.11 0.35 1.35 -2.00 -1.55 112.91 113.07 1zzr h THR 399 Ca 0.32 -0.35 -0.13 0.00 -0.55 0.00 0.00 66.41 65.69 1zzr h THR 399 Cb 0.06 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.54 1zzr h THR 399 CO -0.13 0.19 -0.51 -0.33 -0.25 0.00 0.00 175.52 174.49 1zzr h GLU 400 N 1.03 0.30 -0.05 4.72 5.08 -1.79 -1.64 114.58 122.24 1zzr h GLU 400 Ca 0.28 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1zzr h GLU 400 Cb -0.11 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1zzr h GLU 400 CO -0.06 0.74 -0.01 1.25 -1.00 0.00 0.00 179.01 179.93 1zzr h LEU 401 N 0.24 0.09 -0.58 1.33 5.85 -0.98 0.85 115.31 122.11 1zzr h LEU 401 Ca 0.01 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1zzr h LEU 401 Cb 0.98 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1zzr h LEU 401 CO 0.08 0.41 0.38 0.40 -0.34 0.00 0.00 178.44 179.38 1zzr h ILE 402 N -0.24 1.14 -0.44 4.05 2.04 -1.25 -0.94 117.51 121.87 1zzr h ILE 402 Ca 0.01 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 1zzr h ILE 402 Cb 0.37 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1zzr h ILE 402 CO 0.00 0.14 0.13 0.22 0.00 0.00 0.00 178.15 178.65 1zzr h TYR 403 N 0.78 0.71 -0.76 1.37 3.20 -1.23 -2.37 116.97 118.66 1zzr h TYR 403 Ca 0.22 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1zzr h TYR 403 Cb -0.08 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 1zzr h TYR 403 CO -0.04 0.65 0.26 0.78 -1.64 0.00 0.00 178.16 178.17 1zzr h GLY 404 N 0.57 1.26 0.82 1.82 0.00 -0.48 -1.79 103.07 105.27 1zzr h GLY 404 Ca 0.14 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1zzr h GLY 404 CO -0.00 0.69 0.03 0.00 0.00 0.00 0.00 176.54 177.25 1zzr h ALA 405 N 1.14 0.22 -0.92 3.60 0.00 -1.09 -1.00 119.26 121.20 1zzr h ALA 405 Ca 0.25 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1zzr h ALA 405 Cb 0.29 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1zzr h ALA 405 CO -0.01 -0.12 0.59 0.87 0.00 0.00 0.00 179.25 180.58 1zzr h LYS 406 N 0.06 1.10 0.00 0.00 1.57 -1.36 -2.50 116.57 115.43 1zzr h LYS 406 Ca 0.05 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1zzr h LYS 406 Cb 0.30 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1zzr h LYS 406 CO 0.00 0.73 -0.54 0.45 -0.57 0.00 0.00 179.45 179.52 1zzr h HIS 407 N 1.13 0.00 -0.59 -1.35 3.86 -1.04 -0.63 115.15 116.52 1zzr h HIS 407 Ca 0.38 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.51 1zzr h HIS 407 Cb 0.05 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1zzr h HIS 407 CO -0.01 0.54 0.08 0.00 0.86 0.00 0.00 177.93 179.39 1zzr h ALA 408 N 1.46 1.01 -0.05 2.45 0.00 -0.76 0.10 119.26 123.46 1zzr h ALA 408 Ca -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1zzr h ALA 408 Cb 1.08 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1zzr h ALA 408 CO 0.07 0.62 -0.02 2.35 0.00 0.00 0.00 179.25 182.27 1zzr h TRP 409 N 0.91 0.12 -0.64 0.00 7.01 -1.18 -2.52 115.95 119.66 1zzr h TRP 409 Ca 0.18 -0.03 0.15 0.00 2.11 0.00 0.00 58.89 61.30 1zzr h TRP 409 Cb 0.43 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.43 1zzr h TRP 409 CO 0.03 0.48 0.44 -0.09 -2.79 0.00 0.00 178.44 176.51 1zzr h ARG 410 N -0.27 0.20 -0.01 2.65 2.43 -0.84 -1.02 114.38 117.52 1zzr h ARG 410 Ca 0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1zzr h ARG 410 Cb 0.44 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1zzr h ARG 410 CO 0.01 0.13 -0.13 0.09 -1.51 0.00 0.00 179.97 178.56 1zzr n ASN 411 N -4.42 1.52 -4.55 -3.80 3.02 -0.00 -4.84 115.26 102.18 1zzr n ASN 411 Ca 0.12 -1.33 -0.37 0.00 -0.03 0.00 0.00 54.58 52.96 1zzr n ASN 411 Cb 0.57 0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.79 1zzr n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1zzr s ALA 412 N -2.21 2.27 0.58 5.41 0.00 -0.39 -4.69 121.76 122.74 1zzr s ALA 412 Ca 0.31 -1.13 0.38 0.00 0.00 0.00 0.00 51.96 51.52 1zzr s ALA 412 Cb 0.20 -4.36 2.09 0.00 0.00 0.00 0.00 23.12 21.05 1zzr s ALA 412 CO 0.41 -3.89 2.29 0.66 0.00 0.00 0.00 175.76 175.23 1zzr h SER 413 N 12.62 0.00 -0.05 0.00 4.64 -1.88 -1.95 113.55 126.93 1zzr h SER 413 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1zzr h SER 413 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1zzr h SER 413 CO 1.25 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 177.76 1zzr n ARG 414 N -3.36 1.69 -3.72 4.77 1.74 -1.26 -0.62 116.66 115.90 1zzr n ARG 414 Ca -0.03 -1.02 -0.37 0.00 -0.77 0.00 0.00 57.85 55.67 1zzr n ARG 414 Cb 0.11 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 29.98 1zzr n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zzr n VAL 416 N 4.53 0.00 -0.08 0.00 3.14 -1.26 -3.85 118.33 120.81 1zzr n VAL 416 Ca -0.15 -0.03 0.09 0.00 -2.96 0.00 0.00 64.34 61.29 1zzr n VAL 416 Cb 0.52 -0.07 0.29 0.00 -1.06 0.00 0.00 33.84 33.51 1zzr n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1zzr n GLY 417 N 1.42 2.05 0.01 7.55 0.00 -1.26 -4.46 105.19 110.50 1zzr n GLY 417 Ca 0.09 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.43 1zzr n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zzr n ARG 418 N 1.19 0.01 0.31 1.61 1.74 -1.25 -2.04 116.66 118.22 1zzr n ARG 418 Ca 0.21 0.45 0.20 0.00 -0.77 0.00 0.00 57.85 57.94 1zzr n ARG 418 Cb 0.61 -1.58 0.96 0.00 -1.02 0.00 0.00 32.46 31.43 1zzr n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1zzr h ILE 419 N 0.00 0.05 -0.08 0.55 2.10 -1.91 -0.91 117.51 117.32 1zzr h ILE 419 Ca 0.00 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.68 1zzr h ILE 419 Cb 0.11 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.09 1zzr h ILE 419 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 1zzr n GLN 420 N -3.14 1.73 -0.33 2.19 1.13 -0.87 -4.67 117.38 113.43 1zzr n GLN 420 Ca -0.01 -1.08 0.14 0.00 -1.94 0.00 0.00 57.00 54.11 1zzr n GLN 420 Cb 0.18 -1.45 0.32 0.00 0.11 0.00 0.00 30.24 29.40 1zzr n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1zzr h TRP 421 N 2.45 0.87 0.00 1.08 5.08 -1.36 -1.34 115.95 122.73 1zzr h TRP 421 Ca 0.00 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.01 1zzr h TRP 421 Cb 0.53 -0.24 0.00 0.00 -3.00 0.00 0.00 29.16 26.45 1zzr h TRP 421 CO 0.04 0.08 0.00 -1.13 -1.28 0.00 0.00 178.44 176.15 1zzr n SER 422 N -4.92 0.24 -1.26 0.11 3.41 -1.26 -3.29 113.62 106.65 1zzr n SER 422 Ca 0.23 0.55 0.07 0.00 -0.26 0.00 0.00 58.87 59.46 1zzr n SER 422 Cb 0.64 -0.60 0.27 0.00 -0.26 0.00 0.00 64.21 64.26 1zzr n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1zzr n LYS 423 N -1.75 3.01 -1.92 4.33 5.02 -0.50 -4.96 118.16 121.39 1zzr n LYS 423 Ca 0.04 -2.17 -0.42 0.00 -2.02 0.00 0.00 58.31 53.74 1zzr n LYS 423 Cb 0.25 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 1zzr n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1zzr s LEU 424 N -1.46 4.37 -0.24 -0.35 2.96 -1.21 -4.75 118.68 117.99 1zzr s LEU 424 Ca 0.39 2.53 -0.23 0.00 -0.22 0.00 0.00 54.13 56.60 1zzr s LEU 424 Cb 0.25 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 1zzr s LEU 424 CO 0.20 -0.88 0.75 -1.58 -1.32 0.00 0.00 176.35 173.52 1zzr s GLN 425 N 2.30 4.16 -0.22 1.98 2.00 -0.96 -5.00 119.66 123.94 1zzr s GLN 425 Ca 0.73 0.79 -0.07 0.00 -2.00 0.00 0.00 55.36 54.81 1zzr s GLN 425 Cb -0.41 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 29.72 1zzr s GLN 425 CO 0.32 -0.47 0.07 0.08 -0.50 0.00 0.00 175.29 174.80 1zzr s VAL 426 N 2.67 4.59 -0.23 1.34 1.01 -1.26 -2.10 120.40 126.42 1zzr s VAL 426 Ca 0.32 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 1zzr s VAL 426 Cb -0.15 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1zzr s VAL 426 CO 0.08 0.40 0.07 -0.36 0.00 0.00 0.00 175.10 175.29 1zzr s PHE 427 N 0.98 3.13 -0.53 5.22 0.08 0.10 -4.99 117.98 121.96 1zzr s PHE 427 Ca 0.04 -0.26 -0.22 0.00 0.12 0.00 0.00 56.93 56.61 1zzr s PHE 427 Cb -0.14 -2.20 0.05 0.00 -0.57 0.00 0.00 43.02 40.16 1zzr s PHE 427 CO 0.03 -0.21 0.82 0.34 -0.10 0.00 0.00 175.22 176.10 1zzr s ASP 428 N 1.27 6.30 -0.36 1.36 3.68 -1.26 -0.94 116.67 126.73 1zzr s ASP 428 Ca 0.05 -0.56 0.06 0.00 2.13 0.00 0.00 52.55 54.24 1zzr s ASP 428 Cb -0.15 -2.38 0.50 0.00 -1.45 0.00 0.00 42.92 39.45 1zzr s ASP 428 CO 0.04 -1.10 1.52 0.00 0.13 0.00 0.00 175.17 175.76 1zzr n ALA 429 N 6.97 4.85 0.63 3.66 0.00 0.25 -4.68 120.51 132.19 1zzr n ALA 429 Ca -0.01 -3.31 0.10 0.00 0.00 0.00 0.00 53.44 50.22 1zzr n ALA 429 Cb 0.47 -0.85 0.43 0.00 0.00 0.00 0.00 19.45 19.50 1zzr n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1zzr n ARG 430 N -1.02 0.06 -0.06 0.00 1.74 -1.11 -2.35 116.66 113.92 1zzr n ARG 430 Ca 0.41 0.21 0.12 0.00 -0.77 0.00 0.00 57.85 57.82 1zzr n ARG 430 Cb 1.02 -1.59 0.40 0.00 -1.02 0.00 0.00 32.46 31.26 1zzr n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1zzr n ASP 431 N -1.70 1.82 -4.76 0.55 5.68 -1.26 -4.49 116.55 112.38 1zzr n ASP 431 Ca 0.04 -1.67 -0.41 0.00 -0.50 0.00 0.00 54.79 52.25 1zzr n ASP 431 Cb 0.25 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 1zzr n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1zzr n THR 433 N 1.33 0.00 -4.13 0.00 -2.24 -1.26 -4.77 114.28 103.22 1zzr n THR 433 Ca 0.01 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.53 1zzr n THR 433 Cb 0.43 0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 1zzr n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1zzr s THR 434 N -1.00 0.47 0.25 4.28 -4.23 -1.26 -4.60 115.64 109.54 1zzr s THR 434 Ca 0.00 -1.82 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 1zzr s THR 434 Cb 0.00 -1.53 0.22 0.00 1.34 0.00 0.00 72.50 72.54 1zzr s THR 434 CO 0.00 -0.89 1.84 0.00 -0.54 0.00 0.00 174.62 175.02 1zzr h ALA 435 N 3.16 1.22 -0.91 3.99 0.00 -1.89 0.27 119.26 125.10 1zzr h ALA 435 Ca -0.35 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1zzr h ALA 435 Cb 1.16 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1zzr h ALA 435 CO 0.64 0.22 0.60 0.45 0.00 0.00 0.00 179.25 181.16 1zzr h HIS 436 N 0.93 1.14 -0.70 0.00 -0.00 -1.96 0.12 115.15 114.68 1zzr h HIS 436 Ca 0.40 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.73 1zzr h HIS 436 Cb 0.26 -0.38 -0.03 0.00 -0.00 0.00 0.00 27.41 27.26 1zzr h HIS 436 CO -0.04 0.71 0.17 0.78 -0.00 0.00 0.00 177.93 179.55 1zzr h GLY 437 N 1.22 1.19 0.99 2.45 0.00 -1.21 -2.17 103.07 105.54 1zzr h GLY 437 Ca 0.34 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1zzr h GLY 437 CO -0.08 0.69 0.33 -0.33 0.00 0.00 0.00 176.54 177.14 1zzr h MET 438 N 1.05 0.80 -0.90 4.80 0.00 0.56 -1.80 114.93 119.44 1zzr h MET 438 Ca 0.22 -0.09 0.04 0.00 0.00 0.00 0.00 59.70 59.88 1zzr h MET 438 Cb 0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 31.60 31.74 1zzr h MET 438 CO 0.00 0.60 0.58 0.35 0.00 0.00 0.00 176.91 178.43 1zzr h PHE 439 N 0.78 1.07 -0.37 -0.22 -0.00 -0.47 -1.02 116.94 116.72 1zzr h PHE 439 Ca 0.20 0.03 -0.03 0.00 -0.00 0.00 0.00 57.97 58.17 1zzr h PHE 439 Cb 0.02 -0.35 -0.02 0.00 -0.00 0.00 0.00 35.95 35.60 1zzr h PHE 439 CO -0.02 0.60 0.11 -0.97 -0.00 0.00 0.00 178.31 178.03 1zzr h ASN 440 N 1.10 0.54 -0.60 0.41 -1.24 -0.77 -1.12 115.58 113.90 1zzr h ASN 440 Ca 0.37 -0.21 -0.03 0.00 0.71 0.00 0.00 56.30 57.13 1zzr h ASN 440 Cb 0.06 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 38.93 1zzr h ASN 440 CO -0.14 0.61 0.25 1.88 -1.29 0.00 0.00 177.43 178.75 1zzr h TYR 441 N 0.45 0.93 -0.37 0.67 -1.99 -0.80 -2.34 116.97 113.51 1zzr h TYR 441 Ca 0.12 -0.05 -0.16 0.00 2.00 0.00 0.00 58.73 60.63 1zzr h TYR 441 Cb 0.27 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1zzr h TYR 441 CO 0.01 0.71 -0.40 0.82 -0.00 0.00 0.00 178.16 179.30 1zzr h ILE 442 N 0.91 1.27 -0.52 -2.88 2.04 -0.99 -0.74 117.51 116.60 1zzr h ILE 442 Ca 0.21 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 1zzr h ILE 442 Cb 0.17 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1zzr h ILE 442 CO -0.02 0.53 0.27 0.00 0.00 0.00 0.00 178.15 178.93 1zzr h ASN 444 N 0.69 0.60 0.07 0.00 2.35 -1.22 -0.58 115.58 117.49 1zzr h ASN 444 Ca 0.18 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1zzr h ASN 444 Cb 0.08 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1zzr h ASN 444 CO -0.03 0.52 -0.04 -0.74 -1.65 0.00 0.00 177.43 175.50 1zzr h HIS 445 N 0.67 -0.09 -0.58 1.19 2.76 -0.13 -0.81 115.15 118.16 1zzr h HIS 445 Ca 0.17 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.38 1zzr h HIS 445 Cb 0.08 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.03 1zzr h HIS 445 CO 0.01 0.22 0.32 0.28 -1.30 0.00 0.00 177.93 177.46 1zzr h VAL 446 N -0.41 1.00 -0.31 5.26 2.07 -0.26 0.16 116.25 123.75 1zzr h VAL 446 Ca -0.01 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1zzr h VAL 446 Cb 0.35 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1zzr h VAL 446 CO 0.02 0.11 -0.08 0.50 0.02 0.00 0.00 177.57 178.14 1zzr h LYS 447 N 0.62 0.61 -0.14 1.57 3.64 -1.07 -0.64 116.57 121.15 1zzr h LYS 447 Ca 0.25 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1zzr h LYS 447 Cb 0.11 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1zzr h LYS 447 CO -0.15 0.79 0.08 -0.92 -2.27 0.00 0.00 179.45 176.99 1zzr h TYR 448 N 0.38 0.18 -0.63 1.91 3.20 -0.82 -2.38 116.97 118.81 1zzr h TYR 448 Ca 0.08 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 1zzr h TYR 448 Cb 0.57 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1zzr h TYR 448 CO 0.05 0.16 0.07 0.00 -1.64 0.00 0.00 178.16 176.80 1zzr h ALA 449 N 1.01 0.85 -0.24 1.82 0.00 -0.92 -3.14 119.26 118.64 1zzr h ALA 449 Ca 0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1zzr h ALA 449 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1zzr h ALA 449 CO -0.01 0.64 0.03 1.15 0.00 0.00 0.00 179.25 181.07 1zzr h THR 450 N 0.99 1.23 -6.57 0.00 2.02 -1.06 -0.93 112.91 108.59 1zzr h THR 450 Ca 0.19 -0.78 -0.52 0.00 0.77 0.00 0.00 66.41 66.07 1zzr h THR 450 Cb 0.48 1.28 -0.10 0.00 -1.74 0.00 0.00 68.15 68.08 1zzr h THR 450 CO 0.02 0.25 -0.86 -3.20 0.37 0.00 0.00 175.52 172.09 1zzr n ASN 451 N -4.69 -1.55 -1.83 4.18 5.15 -0.90 -0.72 115.26 114.89 1zzr n ASN 451 Ca -0.04 -1.00 -0.16 0.00 -0.60 0.00 0.00 54.58 52.79 1zzr n ASN 451 Cb 0.20 -3.00 -0.05 0.00 -0.53 0.00 0.00 39.78 36.41 1zzr n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1zzr n LYS 452 N -4.42 -1.59 0.00 1.20 5.02 -1.26 -2.29 118.16 114.82 1zzr n LYS 452 Ca -0.17 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 1zzr n LYS 452 Cb 0.61 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.30 1zzr n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1zzr n GLY 453 N -0.53 1.99 3.34 0.72 0.00 0.10 -4.92 105.19 105.89 1zzr n GLY 453 Ca -0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 1zzr n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1zzr s ASN 454 N -1.78 7.31 0.47 1.61 3.04 -0.97 -0.39 114.94 124.23 1zzr s ASN 454 Ca 0.00 -3.58 -0.24 0.00 0.04 0.00 0.00 52.86 49.08 1zzr s ASN 454 Cb 0.00 -2.21 -0.08 0.00 -1.54 0.00 0.00 41.25 37.42 1zzr s ASN 454 CO 0.00 -0.30 1.35 0.18 -3.04 0.00 0.00 177.10 175.29 1zzr n LEU 455 N 2.74 4.80 -4.02 3.21 4.32 -1.24 -4.48 117.00 122.33 1zzr n LEU 455 Ca 0.24 1.07 -0.22 0.00 -0.02 0.00 0.00 56.01 57.08 1zzr n LEU 455 Cb 0.39 -1.56 -0.16 0.00 -1.62 0.00 0.00 43.42 40.48 1zzr n LEU 455 CO 0.46 -0.48 -0.45 -0.13 -1.22 0.00 0.00 177.39 175.58 1zzr s ARG 456 N -2.48 1.27 0.33 3.23 0.52 -0.35 -5.02 118.95 116.45 1zzr s ARG 456 Ca 0.64 -0.36 -0.29 0.00 -0.52 0.00 0.00 55.73 55.20 1zzr s ARG 456 Cb -0.46 -1.13 -0.11 0.00 0.52 0.00 0.00 34.95 33.77 1zzr s ARG 456 CO 0.55 0.09 1.56 0.43 0.02 0.00 0.00 175.30 177.95 1zzr n SER 457 N 3.50 3.85 -3.60 0.23 7.64 -1.26 -4.50 113.62 119.48 1zzr n SER 457 Ca -0.20 1.18 -0.11 0.00 1.01 0.00 0.00 58.87 60.75 1zzr n SER 457 Cb 0.53 -1.61 -0.04 0.00 -1.01 0.00 0.00 64.21 62.08 1zzr n SER 457 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zzr s ALA 458 N -0.44 -1.06 -0.11 -0.43 0.00 -0.42 -2.25 121.76 117.05 1zzr s ALA 458 Ca 0.60 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 1zzr s ALA 458 Cb -0.49 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.37 1zzr s ALA 458 CO 0.54 -0.65 0.32 -1.50 0.00 0.00 0.00 175.76 174.47 1zzr s ILE 459 N -3.71 0.01 -0.12 0.00 2.07 -0.89 -0.41 121.20 118.15 1zzr s ILE 459 Ca 0.02 -0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.22 1zzr s ILE 459 Cb 0.01 -0.47 -0.00 0.00 0.13 0.00 0.00 42.46 42.13 1zzr s ILE 459 CO -0.12 -0.03 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.79 1zzr s THR 460 N -0.01 2.35 -0.26 4.00 2.01 -0.49 -0.72 115.64 122.50 1zzr s THR 460 Ca -0.02 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 1zzr s THR 460 Cb -0.03 -1.94 0.03 0.00 0.01 0.00 0.00 72.50 70.57 1zzr s THR 460 CO 0.01 0.54 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.83 1zzr s ILE 461 N 0.48 3.10 0.67 1.82 1.01 -0.11 -3.34 121.20 124.83 1zzr s ILE 461 Ca -0.14 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.44 1zzr s ILE 461 Cb -0.17 -2.61 0.04 0.00 0.01 0.00 0.00 42.46 39.74 1zzr s ILE 461 CO 0.05 0.14 0.99 -0.36 0.00 0.00 0.00 174.94 175.76 1zzr s PHE 462 N 1.35 3.03 0.31 3.97 0.08 -0.82 -0.58 117.98 125.32 1zzr s PHE 462 Ca -0.00 0.53 -0.27 0.00 0.12 0.00 0.00 56.93 57.31 1zzr s PHE 462 Cb -0.17 -3.06 -0.14 0.00 -0.57 0.00 0.00 43.02 39.08 1zzr s PHE 462 CO -0.03 -1.23 0.93 -2.30 -0.10 0.00 0.00 175.22 172.50 1zzr n PRO 463 N -2.83 1.19 -1.33 0.24 -0.02 -1.25 -4.73 135.00 126.28 1zzr n PRO 463 Ca 0.07 0.42 -0.29 0.00 -2.02 0.00 0.00 63.50 61.67 1zzr n PRO 463 Cb 0.59 -1.77 0.14 0.00 -0.02 0.00 0.00 33.50 32.44 1zzr n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1zzr s GLN 464 N -1.57 1.20 0.34 -0.52 -2.07 -1.26 -4.62 119.66 111.16 1zzr s GLN 464 Ca 0.60 0.61 -0.28 0.00 -1.82 0.00 0.00 55.36 54.48 1zzr s GLN 464 Cb -0.69 -1.82 -0.09 0.00 -1.09 0.00 0.00 33.01 29.31 1zzr s GLN 464 CO 0.59 -2.23 1.19 0.50 -1.32 0.00 0.00 175.29 174.02 1zzr s ARG 465 N -5.05 4.32 0.00 9.60 3.52 0.99 -4.92 118.95 127.42 1zzr s ARG 465 Ca 0.63 1.94 0.00 0.00 -0.13 0.00 0.00 55.73 58.18 1zzr s ARG 465 Cb -0.17 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 1zzr s ARG 465 CO 0.56 -0.12 0.00 0.25 -0.81 0.00 0.00 175.30 175.18 1zzr n THR 466 N 0.63 0.00 1.09 4.11 -2.24 -1.26 -4.75 114.28 111.86 1zzr n THR 466 Ca 0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 1zzr n THR 466 Cb 0.45 -0.34 0.13 0.00 -2.10 0.00 0.00 70.33 68.47 1zzr n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1zzr n ASP 467 N -0.37 1.76 0.00 3.42 3.85 -1.26 -4.85 116.55 119.09 1zzr n ASP 467 Ca 0.00 -1.35 0.00 0.00 -0.71 0.00 0.00 54.79 52.73 1zzr n ASP 467 Cb 0.00 0.34 0.00 0.00 -1.35 0.00 0.00 41.12 40.11 1zzr n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1zzr n GLY 468 N 1.39 0.95 0.52 6.12 0.00 -1.26 -4.80 105.19 108.11 1zzr n GLY 468 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1zzr n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1zzr n LYS 469 N -2.00 0.80 -0.76 1.61 5.02 -1.26 -4.54 118.16 117.02 1zzr n LYS 469 Ca 0.00 -1.27 0.06 0.00 -2.02 0.00 0.00 58.31 55.07 1zzr n LYS 469 Cb 0.00 -1.25 0.16 0.00 -0.02 0.00 0.00 35.03 33.92 1zzr n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1zzr n HIS 470 N 0.72 0.00 -1.86 2.13 8.25 -1.26 -4.37 115.22 118.83 1zzr n HIS 470 Ca 0.08 -1.22 -0.37 0.00 -0.26 0.00 0.00 57.72 55.95 1zzr n HIS 470 Cb 0.32 -0.22 0.05 0.00 1.12 0.00 0.00 29.99 31.26 1zzr n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1zzr s ASP 471 N -2.90 4.98 -0.18 0.41 -0.00 -1.26 -2.77 116.67 114.95 1zzr s ASP 471 Ca 0.36 2.56 -0.08 0.00 -0.00 0.00 0.00 52.55 55.39 1zzr s ASP 471 Cb 0.36 -2.61 -0.04 0.00 -0.00 0.00 0.00 42.92 40.62 1zzr s ASP 471 CO -0.08 -1.74 0.09 -0.36 -0.00 0.00 0.00 175.17 173.07 1zzr s PHE 472 N -1.45 3.33 -0.02 4.23 0.40 -1.26 -0.48 117.98 122.74 1zzr s PHE 472 Ca 0.78 0.21 -0.06 0.00 -0.60 0.00 0.00 56.93 57.26 1zzr s PHE 472 Cb -0.35 -2.09 0.00 0.00 0.51 0.00 0.00 43.02 41.09 1zzr s PHE 472 CO 0.39 0.25 0.12 1.03 0.70 0.00 0.00 175.22 177.72 1zzr s ARG 473 N 0.24 0.34 -0.30 0.44 1.81 -0.09 -3.20 118.95 118.19 1zzr s ARG 473 Ca 0.06 -0.18 -0.08 0.00 -1.72 0.00 0.00 55.73 53.81 1zzr s ARG 473 Cb -0.12 0.14 -0.00 0.00 -0.45 0.00 0.00 34.95 34.53 1zzr s ARG 473 CO -0.00 -0.07 0.11 0.08 -0.68 0.00 0.00 175.30 174.73 1zzr s VAL 474 N -0.81 4.24 0.31 3.52 1.01 -1.26 -1.08 120.40 126.34 1zzr s VAL 474 Ca -0.09 -0.53 0.12 0.00 0.00 0.00 0.00 61.98 61.48 1zzr s VAL 474 Cb -0.05 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.20 1zzr s VAL 474 CO 0.01 0.11 1.71 -0.50 0.00 0.00 0.00 175.10 176.42 1zzr h TRP 475 N 8.28 0.00 -4.07 5.22 4.06 -1.66 -3.43 115.95 124.36 1zzr h TRP 475 Ca -0.33 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.09 1zzr h TRP 475 Cb 1.14 0.00 0.12 0.00 -1.00 0.00 0.00 29.16 29.42 1zzr h TRP 475 CO 0.63 0.51 0.53 -0.80 -3.56 0.00 0.00 178.44 175.75 1zzr s ASN 476 N -6.88 5.23 0.28 -3.49 -0.87 -1.26 -4.92 114.94 103.04 1zzr s ASN 476 Ca -0.02 2.55 0.17 0.00 -1.57 0.00 0.00 52.86 54.00 1zzr s ASN 476 Cb 0.13 -2.62 0.10 0.00 -0.02 0.00 0.00 41.25 38.84 1zzr s ASN 476 CO 0.75 -1.58 1.38 0.77 -2.57 0.00 0.00 177.10 175.85 1zzr h SER 477 N 1.17 0.00 -3.84 -1.22 4.64 -1.89 -3.37 113.55 109.04 1zzr h SER 477 Ca -0.51 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.64 1zzr h SER 477 Cb 1.30 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.13 1zzr h SER 477 CO 0.56 0.37 -0.46 -1.10 -0.87 0.00 0.00 176.83 175.32 1zzr s GLN 478 N -3.04 0.26 0.29 4.77 -0.21 -1.26 -1.06 119.66 119.41 1zzr s GLN 478 Ca 0.04 0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.72 1zzr s GLN 478 Cb 0.07 0.13 0.70 0.00 1.00 0.00 0.00 33.01 34.91 1zzr s GLN 478 CO 0.74 -0.03 1.69 -0.07 -2.12 0.00 0.00 175.29 175.49 1zzr h LEU 479 N 5.76 0.24 -8.10 2.90 3.38 -1.43 -3.38 115.31 114.68 1zzr h LEU 479 Ca -0.26 0.16 -0.67 0.00 0.09 0.00 0.00 57.88 57.21 1zzr h LEU 479 Cb 1.19 0.16 -0.34 0.00 0.09 0.00 0.00 40.66 41.76 1zzr h LEU 479 CO 0.37 -0.04 -0.85 -0.63 0.09 0.00 0.00 178.44 177.38 1zzr s ILE 480 N -5.91 2.13 -0.00 1.22 1.01 -1.26 -4.86 121.20 113.53 1zzr s ILE 480 Ca -0.12 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.37 1zzr s ILE 480 Cb 0.25 -1.89 0.05 0.00 0.01 0.00 0.00 42.46 40.88 1zzr s ILE 480 CO 0.78 0.54 0.53 -0.13 0.00 0.00 0.00 174.94 176.65 1zzr s ARG 481 N 1.23 0.96 0.11 2.79 0.52 -1.26 -4.82 118.95 118.47 1zzr s ARG 481 Ca 0.03 -0.05 -0.23 0.00 -0.52 0.00 0.00 55.73 54.96 1zzr s ARG 481 Cb -0.13 0.44 -0.07 0.00 0.52 0.00 0.00 34.95 35.71 1zzr s ARG 481 CO -0.11 -0.31 0.68 0.71 0.02 0.00 0.00 175.30 176.29 1zzr s TYR 482 N -1.76 3.84 0.65 -0.53 1.51 -1.26 -0.54 117.35 119.26 1zzr s TYR 482 Ca -0.09 1.44 -0.17 0.00 -1.01 0.00 0.00 57.07 57.25 1zzr s TYR 482 Cb -0.01 -2.65 -0.01 0.00 -0.11 0.00 0.00 41.96 39.18 1zzr s TYR 482 CO 0.04 0.51 1.18 0.00 -1.11 0.00 0.00 175.55 176.17 1zzr s ALA 483 N -0.97 2.40 -0.07 3.71 0.00 0.15 -4.39 121.76 122.60 1zzr s ALA 483 Ca 0.33 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1zzr s ALA 483 Cb -0.21 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.49 1zzr s ALA 483 CO 0.22 -1.39 -0.20 0.20 0.00 0.00 0.00 175.76 174.59 1zzr s GLY 484 N -1.96 1.11 -0.11 0.00 0.00 -1.24 -1.34 107.32 103.77 1zzr s GLY 484 Ca 0.74 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.65 1zzr s GLY 484 CO 0.38 -0.35 -0.10 -0.19 0.00 0.00 0.00 173.10 172.85 1zzr s TYR 485 N 0.17 1.65 -0.21 1.90 1.51 0.22 -4.15 117.35 118.43 1zzr s TYR 485 Ca -0.10 -0.82 -0.28 0.00 -1.01 0.00 0.00 57.07 54.86 1zzr s TYR 485 Cb -0.15 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1zzr s TYR 485 CO 0.05 -0.52 0.98 0.21 -1.11 0.00 0.00 175.55 175.16 1zzr s LYS 486 N 1.50 4.26 0.37 -0.62 2.47 -1.26 -0.48 119.74 125.99 1zzr s LYS 486 Ca 0.02 1.26 -0.07 0.00 -1.56 0.00 0.00 55.97 55.61 1zzr s LYS 486 Cb -0.13 -3.63 -0.06 0.00 -1.46 0.00 0.00 37.83 32.56 1zzr s LYS 486 CO -0.07 -0.55 0.69 -0.65 0.16 0.00 0.00 175.35 174.92 1zzr s GLN 487 N 2.93 3.69 0.57 4.03 -1.52 0.07 -4.98 119.66 124.44 1zzr s GLN 487 Ca 0.42 0.24 0.31 0.00 -1.95 0.00 0.00 55.36 54.39 1zzr s GLN 487 Cb -0.16 -2.49 1.73 0.00 -0.22 0.00 0.00 33.01 31.87 1zzr s GLN 487 CO 0.08 0.04 2.18 -1.00 -0.25 0.00 0.00 175.29 176.34 1zzr h PRO 488 N 1.27 0.00 -0.02 2.91 0.13 -1.96 0.06 132.00 134.39 1zzr h PRO 488 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1zzr h PRO 488 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1zzr h PRO 488 CO 0.64 0.05 0.00 -0.40 -0.23 0.00 0.00 178.00 178.07 1zzr n ASP 489 N -3.59 0.10 0.00 1.44 3.85 -1.26 -4.87 116.55 112.22 1zzr n ASP 489 Ca -0.02 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.28 1zzr n ASP 489 Cb 0.16 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 1zzr n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1zzr n GLY 490 N 0.64 1.98 3.90 6.12 0.00 0.01 -5.04 105.19 112.80 1zzr n GLY 490 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1zzr n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zzr s SER 491 N -3.36 4.72 -0.06 1.61 1.04 -1.26 -4.78 113.70 111.62 1zzr s SER 491 Ca 0.00 0.79 0.04 0.00 0.48 0.00 0.00 55.95 57.26 1zzr s SER 491 Cb 0.00 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.75 1zzr s SER 491 CO 0.00 -1.75 -0.18 -0.89 0.98 0.00 0.00 173.24 171.39 1zzr s THR 492 N -3.49 1.56 -0.12 2.02 2.01 -1.26 -0.75 115.64 115.61 1zzr s THR 492 Ca 0.61 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 1zzr s THR 492 Cb -0.11 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1zzr s THR 492 CO 0.49 0.45 0.07 -0.22 -0.69 0.00 0.00 174.62 174.72 1zzr s LEU 493 N 0.27 3.98 0.00 4.42 2.96 0.37 -4.93 118.68 125.76 1zzr s LEU 493 Ca -0.11 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1zzr s LEU 493 Cb -0.15 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.59 1zzr s LEU 493 CO 0.04 0.35 0.00 0.61 -1.32 0.00 0.00 176.35 176.03 1zzr n GLY 494 N 2.37 0.27 3.39 7.98 0.00 -1.26 0.73 105.19 118.66 1zzr n GLY 494 Ca -0.19 -1.28 -0.45 0.00 0.00 0.00 0.00 46.02 44.11 1zzr n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zzr s ASP 495 N -4.00 6.18 0.53 1.61 -1.08 -0.45 -4.82 116.67 114.64 1zzr s ASP 495 Ca 0.00 -1.32 0.30 0.00 -0.52 0.00 0.00 52.55 51.02 1zzr s ASP 495 Cb 0.00 -2.23 1.46 0.00 -1.46 0.00 0.00 42.92 40.69 1zzr s ASP 495 CO 0.00 -0.79 1.90 -0.65 0.52 0.00 0.00 175.17 176.15 1zzr h PRO 496 N 8.88 0.01 0.00 4.34 0.11 -1.81 -0.68 132.00 142.85 1zzr h PRO 496 Ca -0.29 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1zzr h PRO 496 Cb 1.10 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1zzr h PRO 496 CO 0.95 0.01 -0.02 0.00 -0.21 0.00 0.00 178.00 178.73 1zzr h ALA 497 N 1.58 1.40 -0.37 -0.75 0.00 -1.93 -2.91 119.26 116.27 1zzr h ALA 497 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1zzr h ALA 497 Cb 1.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1zzr h ALA 497 CO -0.01 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.35 1zzr n ASN 498 N -3.69 3.91 -0.02 0.00 3.02 -0.26 -4.72 115.26 113.50 1zzr n ASN 498 Ca -0.03 -2.63 -0.09 0.00 -0.03 0.00 0.00 54.58 51.80 1zzr n ASN 498 Cb 0.10 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 38.76 1zzr n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1zzr h VAL 499 N 2.42 0.86 -0.12 2.41 2.07 -1.62 -0.58 116.25 121.69 1zzr h VAL 499 Ca 0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1zzr h VAL 499 Cb 1.29 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1zzr h VAL 499 CO 0.18 0.00 0.07 -0.61 0.02 0.00 0.00 177.57 177.23 1zzr h GLN 500 N 0.01 0.14 -0.82 1.57 4.15 -1.85 -1.09 115.11 117.23 1zzr h GLN 500 Ca 0.07 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1zzr h GLN 500 Cb 0.10 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 1zzr h GLN 500 CO -0.14 0.09 0.42 0.35 -1.93 0.00 0.00 178.83 177.62 1zzr h PHE 501 N 0.15 1.14 -0.63 3.99 3.57 -1.87 -2.38 116.94 120.91 1zzr h PHE 501 Ca 0.05 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1zzr h PHE 501 Cb -0.01 -0.36 -0.04 0.00 2.79 0.00 0.00 35.95 38.33 1zzr h PHE 501 CO -0.08 0.81 0.39 1.15 -2.23 0.00 0.00 178.31 178.35 1zzr h THR 502 N 1.15 1.07 -0.50 4.41 2.02 -0.69 -1.49 112.91 118.89 1zzr h THR 502 Ca 0.29 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1zzr h THR 502 Cb 0.06 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1zzr h THR 502 CO -0.04 0.14 0.32 -0.33 0.37 0.00 0.00 175.52 175.97 1zzr h GLU 503 N 0.76 0.66 -0.96 6.66 5.08 -0.85 -1.60 114.58 124.33 1zzr h GLU 503 Ca 0.26 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1zzr h GLU 503 Cb 0.03 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.06 1zzr h GLU 503 CO -0.11 0.46 0.61 0.82 -1.00 0.00 0.00 179.01 179.79 1zzr h ILE 504 N 0.67 1.04 -0.30 3.13 2.04 -0.89 0.65 117.51 123.84 1zzr h ILE 504 Ca 0.18 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1zzr h ILE 504 Cb -0.05 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 35.88 1zzr h ILE 504 CO -0.04 0.20 0.08 0.00 0.00 0.00 0.00 178.15 178.39 1zzr h ILE 506 N 0.32 1.23 -0.05 0.00 2.04 -0.88 -0.30 117.51 119.88 1zzr h ILE 506 Ca 0.10 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1zzr h ILE 506 Cb 0.28 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1zzr h ILE 506 CO -0.00 0.27 -0.17 -0.61 0.00 0.00 0.00 178.15 177.64 1zzr h GLN 507 N 0.99 0.08 0.00 2.37 4.15 -0.64 -0.63 115.11 121.42 1zzr h GLN 507 Ca 0.24 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1zzr h GLN 507 Cb 0.10 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1zzr h GLN 507 CO -0.03 0.25 0.00 1.04 -1.93 0.00 0.00 178.83 178.16 1zzr n GLN 508 N -4.30 0.97 0.00 1.69 1.13 -0.37 -4.86 117.38 111.63 1zzr n GLN 508 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1zzr n GLN 508 Cb 0.26 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.11 1zzr n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1zzr n GLY 509 N 1.00 0.77 3.75 1.08 0.00 -0.25 -4.94 105.19 106.62 1zzr n GLY 509 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1zzr n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1zzr s TRP 510 N -2.00 3.15 -0.63 1.61 -0.00 -0.25 -4.96 118.94 115.86 1zzr s TRP 510 Ca 0.00 1.29 -0.18 0.00 -0.00 0.00 0.00 56.10 57.21 1zzr s TRP 510 Cb 0.00 -3.66 0.12 0.00 -0.00 0.00 0.00 33.47 29.94 1zzr s TRP 510 CO 0.00 -1.94 0.69 0.15 -0.00 0.00 0.00 176.95 175.85 1zzr s LYS 511 N -0.91 3.13 0.04 5.86 -0.14 -1.26 -4.40 119.74 122.05 1zzr s LYS 511 Ca 0.53 -1.57 -0.30 0.00 -1.36 0.00 0.00 55.97 53.27 1zzr s LYS 511 Cb -0.39 -4.33 -0.05 0.00 -1.68 0.00 0.00 37.83 31.38 1zzr s LYS 511 CO 0.45 -1.48 1.22 0.00 -0.76 0.00 0.00 175.35 174.78 1zzr s ALA 512 N 2.14 3.43 -1.08 5.17 0.00 -1.26 -4.91 121.76 125.25 1zzr s ALA 512 Ca 0.11 0.83 0.24 0.00 0.00 0.00 0.00 51.96 53.15 1zzr s ALA 512 Cb -0.23 -3.47 1.08 0.00 0.00 0.00 0.00 23.12 20.50 1zzr s ALA 512 CO 0.03 -0.52 1.79 -0.35 0.00 0.00 0.00 175.76 176.71 1zzr n PRO 513 N 4.20 0.07 -3.89 0.00 -0.04 -1.26 -4.95 135.00 129.12 1zzr n PRO 513 Ca 0.10 0.08 -0.25 0.00 -0.04 0.00 0.00 63.50 63.38 1zzr n PRO 513 Cb 0.46 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 1zzr n PRO 513 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1zzr n ARG 514 N -1.46 -3.39 -1.53 0.54 1.74 -1.26 -5.02 116.66 106.29 1zzr n ARG 514 Ca 0.07 0.44 -0.02 0.00 -0.77 0.00 0.00 57.85 57.58 1zzr n ARG 514 Cb 0.27 -4.60 0.00 0.00 -1.02 0.00 0.00 32.46 27.11 1zzr n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1zzr n GLY 515 N -1.89 2.74 0.08 -0.13 0.00 -1.26 -5.04 105.19 99.69 1zzr n GLY 515 Ca -0.29 -2.17 0.12 0.00 0.00 0.00 0.00 46.02 43.68 1zzr n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1zzr h ARG 516 N 0.00 0.00 -1.74 1.61 2.43 -1.93 -3.38 114.38 111.37 1zzr h ARG 516 Ca -0.02 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.67 1zzr h ARG 516 Cb 0.09 0.00 -0.36 0.00 -0.42 0.00 0.00 29.97 29.28 1zzr h ARG 516 CO 0.04 0.00 -1.06 1.19 -1.51 0.00 0.00 179.97 178.62 1zzr n PHE 517 N -2.19 -0.49 -3.36 2.20 3.01 -1.26 -4.33 117.46 111.04 1zzr n PHE 517 Ca 0.03 -3.46 -0.39 0.00 1.01 0.00 0.00 57.45 54.64 1zzr n PHE 517 Cb 0.45 -0.12 -0.08 0.00 -0.01 0.00 0.00 39.48 39.71 1zzr n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1zzr s ASP 518 N -1.77 6.37 0.06 4.37 1.01 -1.26 -4.94 116.67 120.50 1zzr s ASP 518 Ca 0.36 0.43 -0.31 0.00 0.71 0.00 0.00 52.55 53.75 1zzr s ASP 518 Cb 0.26 -2.23 -0.07 0.00 1.01 0.00 0.00 42.92 41.88 1zzr s ASP 518 CO -0.10 -0.16 1.52 -0.69 0.21 0.00 0.00 175.17 175.95 1zzr s VAL 519 N 1.80 3.27 0.80 -1.27 1.01 -1.26 -0.67 120.40 124.08 1zzr s VAL 519 Ca 0.18 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.80 1zzr s VAL 519 Cb -0.15 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.82 1zzr s VAL 519 CO 0.09 0.01 1.10 -0.76 0.00 0.00 0.00 175.10 175.54 1zzr s LEU 520 N 2.23 2.95 0.50 3.92 1.43 0.30 -4.88 118.68 125.13 1zzr s LEU 520 Ca 0.69 1.84 -0.03 0.00 -1.03 0.00 0.00 54.13 55.60 1zzr s LEU 520 Cb -0.37 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.36 1zzr s LEU 520 CO 0.30 -2.22 0.76 -2.16 0.23 0.00 0.00 176.35 173.26 1zzr s PRO 521 N -4.87 3.13 0.12 1.29 0.04 -1.26 -4.76 135.00 128.68 1zzr s PRO 521 Ca 0.62 -0.20 -0.24 0.00 0.04 0.00 0.00 61.00 61.22 1zzr s PRO 521 Cb -0.18 -2.44 -0.07 0.00 0.04 0.00 0.00 34.50 31.85 1zzr s PRO 521 CO 0.56 -0.38 0.74 -0.51 0.04 0.00 0.00 177.00 177.46 1zzr s LEU 522 N -4.72 4.55 -0.32 -3.56 1.43 0.11 -4.90 118.68 111.28 1zzr s LEU 522 Ca 0.49 1.53 0.03 0.00 -1.03 0.00 0.00 54.13 55.16 1zzr s LEU 522 Cb -0.10 -3.21 0.09 0.00 0.03 0.00 0.00 46.19 42.99 1zzr s LEU 522 CO 0.41 0.17 0.01 -0.22 0.23 0.00 0.00 176.35 176.95 1zzr s LEU 523 N -0.86 4.36 -0.14 1.79 2.96 -1.26 -1.25 118.68 124.29 1zzr s LEU 523 Ca 0.35 -1.89 -0.02 0.00 -0.22 0.00 0.00 54.13 52.35 1zzr s LEU 523 Cb -0.22 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1zzr s LEU 523 CO 0.24 -0.33 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.13 1zzr s LEU 524 N 0.99 3.14 -0.30 -0.68 1.43 0.62 -1.73 118.68 122.15 1zzr s LEU 524 Ca 0.04 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.94 1zzr s LEU 524 Cb -0.20 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1zzr s LEU 524 CO -0.07 0.20 0.06 -1.58 0.23 0.00 0.00 176.35 175.19 1zzr s GLN 525 N 0.18 2.90 -0.07 1.70 0.74 -0.24 -0.46 119.66 124.40 1zzr s GLN 525 Ca -0.03 -0.97 0.01 0.00 0.05 0.00 0.00 55.36 54.42 1zzr s GLN 525 Cb -0.14 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 1zzr s GLN 525 CO 0.03 -0.50 -0.09 0.00 -0.55 0.00 0.00 175.29 174.18 1zzr s ALA 526 N 1.44 2.87 -0.98 1.58 0.00 -1.26 -0.91 121.76 124.50 1zzr s ALA 526 Ca 0.01 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1zzr s ALA 526 Cb -0.18 -1.18 0.01 0.00 0.00 0.00 0.00 23.12 21.77 1zzr s ALA 526 CO 0.01 0.52 0.04 -1.71 0.00 0.00 0.00 175.76 174.63 1zzr n ASN 527 N 2.43 -3.64 0.00 0.00 4.05 -1.21 -1.23 115.26 115.65 1zzr n ASN 527 Ca -0.18 0.17 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1zzr n ASN 527 Cb 0.53 -3.10 0.00 0.00 1.23 0.00 0.00 39.78 38.44 1zzr n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1zzr n GLY 528 N -0.81 1.07 3.80 8.20 0.00 0.37 -4.47 105.19 113.35 1zzr n GLY 528 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1zzr n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1zzr s ASN 529 N -3.06 3.32 0.49 1.61 0.01 -0.37 -4.88 114.94 112.07 1zzr s ASN 529 Ca 0.00 0.80 -0.23 0.00 -0.71 0.00 0.00 52.86 52.72 1zzr s ASN 529 Cb 0.00 -1.25 -0.06 0.00 0.41 0.00 0.00 41.25 40.35 1zzr s ASN 529 CO 0.00 -2.65 1.26 -1.81 -1.51 0.00 0.00 177.10 172.39 1zzr s ASP 530 N -4.22 5.78 0.78 -1.22 1.01 -1.26 -4.45 116.67 113.09 1zzr s ASP 530 Ca 0.66 2.54 -0.10 0.00 0.71 0.00 0.00 52.55 56.35 1zzr s ASP 530 Cb -0.12 -2.62 0.06 0.00 1.01 0.00 0.00 42.92 41.25 1zzr s ASP 530 CO 0.53 -1.20 1.09 -2.16 0.21 0.00 0.00 175.17 173.64 1zzr s PRO 531 N -2.75 2.21 0.07 8.23 0.04 -1.26 -4.71 135.00 136.83 1zzr s PRO 531 Ca 0.67 1.18 0.05 0.00 0.04 0.00 0.00 61.00 62.93 1zzr s PRO 531 Cb -0.35 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1zzr s PRO 531 CO 0.42 -1.68 -0.14 -1.21 0.04 0.00 0.00 177.00 174.43 1zzr s GLU 532 N -4.90 0.80 0.10 4.56 2.02 0.39 -4.85 118.70 116.82 1zzr s GLU 532 Ca 0.61 -0.94 -0.14 0.00 0.02 0.00 0.00 54.97 54.52 1zzr s GLU 532 Cb -0.17 -0.78 -0.06 0.00 0.10 0.00 0.00 34.13 33.21 1zzr s GLU 532 CO 0.56 0.17 0.49 -0.51 0.02 0.00 0.00 175.26 176.00 1zzr s LEU 533 N -1.74 4.38 -0.11 1.80 1.43 -1.26 -0.28 118.68 122.90 1zzr s LEU 533 Ca -0.02 1.01 -0.15 0.00 -1.03 0.00 0.00 54.13 53.93 1zzr s LEU 533 Cb -0.10 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.10 1zzr s LEU 533 CO 0.02 0.17 0.39 -0.36 0.23 0.00 0.00 176.35 176.80 1zzr s PHE 534 N -1.36 -0.39 -0.20 0.29 0.40 -0.38 -4.98 117.98 111.37 1zzr s PHE 534 Ca 0.34 0.88 -0.09 0.00 -0.60 0.00 0.00 56.93 57.45 1zzr s PHE 534 Cb -0.15 0.15 -0.05 0.00 0.51 0.00 0.00 43.02 43.48 1zzr s PHE 534 CO 0.18 -0.28 0.11 -1.14 0.70 0.00 0.00 175.22 174.79 1zzr s GLN 535 N -0.24 4.07 0.07 0.44 0.74 -1.26 0.08 119.66 123.55 1zzr s GLN 535 Ca -0.04 -0.29 -0.31 0.00 0.05 0.00 0.00 55.36 54.78 1zzr s GLN 535 Cb -0.03 -3.37 -0.07 0.00 1.10 0.00 0.00 33.01 30.64 1zzr s GLN 535 CO 0.02 0.22 1.38 0.42 -0.55 0.00 0.00 175.29 176.78 1zzr s ILE 536 N 0.57 3.53 -0.14 -2.34 1.01 -1.26 -4.90 121.20 117.66 1zzr s ILE 536 Ca 0.06 1.04 -0.38 0.00 0.00 0.00 0.00 60.65 61.38 1zzr s ILE 536 Cb -0.12 -3.67 -0.15 0.00 0.01 0.00 0.00 42.46 38.53 1zzr s ILE 536 CO 0.00 0.05 1.71 -2.65 0.00 0.00 0.00 174.94 174.05 1zzr n PRO 537 N 4.48 1.49 -0.31 2.79 -0.02 -1.26 -4.82 135.00 137.35 1zzr n PRO 537 Ca 0.12 0.54 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 1zzr n PRO 537 Cb 0.43 -2.27 0.34 0.00 -0.02 0.00 0.00 33.50 31.98 1zzr n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1zzr h PRO 538 N 7.24 0.39 0.00 0.52 0.11 -1.96 0.70 132.00 138.99 1zzr h PRO 538 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1zzr h PRO 538 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1zzr h PRO 538 CO 0.92 0.26 0.03 1.05 -0.21 0.00 0.00 178.00 180.05 1zzr h GLU 539 N 0.40 0.00 -0.00 1.05 9.09 -2.03 -0.15 114.58 122.94 1zzr h GLU 539 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.00 1zzr h GLU 539 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1zzr h GLU 539 CO -0.54 0.00 -0.50 1.28 0.05 0.00 0.00 179.01 179.30 1zzr n LEU 540 N -2.73 0.60 -4.37 3.06 4.32 0.24 -4.76 117.00 113.35 1zzr n LEU 540 Ca -0.02 -0.06 -0.45 0.00 -0.02 0.00 0.00 56.01 55.46 1zzr n LEU 540 Cb 0.09 -0.22 -0.06 0.00 -1.62 0.00 0.00 43.42 41.61 1zzr n LEU 540 CO 0.15 0.14 0.19 -0.69 -1.22 0.00 0.00 177.39 175.96 1zzr s VAL 541 N -2.94 5.09 -0.08 4.08 1.01 -0.07 -4.78 120.40 122.71 1zzr s VAL 541 Ca 0.12 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 1zzr s VAL 541 Cb 0.18 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1zzr s VAL 541 CO 0.69 -0.82 1.07 -0.22 0.00 0.00 0.00 175.10 175.83 1zzr s LEU 542 N 1.98 4.26 0.13 3.92 2.96 -1.26 -5.00 118.68 125.67 1zzr s LEU 542 Ca 0.07 1.64 0.08 0.00 -0.22 0.00 0.00 54.13 55.70 1zzr s LEU 542 Cb -0.25 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.84 1zzr s LEU 542 CO 0.06 -0.49 -0.20 -1.61 -1.32 0.00 0.00 176.35 172.80 1zzr s GLU 543 N 2.02 1.18 -0.14 1.98 2.02 -1.26 -0.81 118.70 123.69 1zzr s GLU 543 Ca 0.51 -1.27 0.01 0.00 0.02 0.00 0.00 54.97 54.24 1zzr s GLU 543 Cb -0.21 -1.35 0.02 0.00 0.10 0.00 0.00 34.13 32.69 1zzr s GLU 543 CO 0.20 0.30 -0.15 0.08 0.02 0.00 0.00 175.26 175.70 1zzr s VAL 544 N -1.57 1.62 0.09 2.63 1.01 -0.07 -4.92 120.40 119.20 1zzr s VAL 544 Ca 0.10 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 61.10 1zzr s VAL 544 Cb -0.08 -1.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 1zzr s VAL 544 CO 0.05 0.47 1.21 -2.84 0.00 0.00 0.00 175.10 173.99 1zzr s PRO 545 N 1.30 4.44 -0.17 2.72 0.02 -1.26 -1.80 135.00 140.25 1zzr s PRO 545 Ca 0.01 1.82 -0.17 0.00 0.02 0.00 0.00 61.00 62.68 1zzr s PRO 545 Cb -0.14 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 1zzr s PRO 545 CO -0.08 -0.23 0.43 0.42 -0.33 0.00 0.00 177.00 177.21 1zzr s ILE 546 N 0.80 5.20 0.15 2.83 -1.09 0.10 -4.84 121.20 124.35 1zzr s ILE 546 Ca 0.58 0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 59.80 1zzr s ILE 546 Cb -0.31 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1zzr s ILE 546 CO 0.31 0.29 0.04 0.00 -1.23 0.00 0.00 174.94 174.35 1zzr s ARG 547 N 0.99 1.01 -0.02 2.79 3.03 -1.26 -4.15 118.95 121.34 1zzr s ARG 547 Ca 0.22 -1.49 0.02 0.00 2.03 0.00 0.00 55.73 56.50 1zzr s ARG 547 Cb -0.15 0.06 -0.03 0.00 -1.03 0.00 0.00 34.95 33.80 1zzr s ARG 547 CO 0.08 -0.22 -0.03 -1.58 -1.13 0.00 0.00 175.30 172.42 1zzr s HIS 548 N -3.91 3.01 -0.83 5.89 2.46 -1.26 -4.40 115.29 116.24 1zzr s HIS 548 Ca 0.25 0.05 0.13 0.00 0.47 0.00 0.00 55.06 55.96 1zzr s HIS 548 Cb 0.07 -1.67 0.57 0.00 -0.13 0.00 0.00 32.58 31.42 1zzr s HIS 548 CO 0.03 0.42 1.40 -0.35 -2.47 0.00 0.00 174.74 173.77 1zzr n PRO 549 N 1.65 0.05 0.00 2.88 -0.04 -1.26 -3.93 135.00 134.34 1zzr n PRO 549 Ca -0.16 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1zzr n PRO 549 Cb 0.53 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1zzr n PRO 549 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1zzr n LYS 550 N -1.70 0.94 -2.92 0.54 5.02 -1.26 -4.99 118.16 113.79 1zzr n LYS 550 Ca 0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 1zzr n LYS 550 Cb 0.12 -0.65 -0.04 0.00 -0.02 0.00 0.00 35.03 34.44 1zzr n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1zzr s PHE 551 N -1.30 2.77 -0.23 2.13 0.08 -1.25 -4.88 117.98 115.28 1zzr s PHE 551 Ca 0.00 -0.58 0.26 0.00 0.12 0.00 0.00 56.93 56.73 1zzr s PHE 551 Cb 0.00 -4.18 1.20 0.00 -0.57 0.00 0.00 43.02 39.47 1zzr s PHE 551 CO 0.00 -1.52 1.78 0.22 -0.10 0.00 0.00 175.22 175.60 1zzr h ASP 552 N 9.44 0.00 0.95 1.36 3.58 -1.94 -1.95 116.42 127.86 1zzr h ASP 552 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1zzr h ASP 552 Cb 1.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1zzr h ASP 552 CO 1.15 0.00 -0.14 -2.67 -2.88 0.00 0.00 179.24 174.69 1zzr n TRP 553 N -2.42 0.16 -0.10 0.28 4.27 -1.26 -4.03 117.44 114.34 1zzr n TRP 553 Ca 0.00 0.05 -0.07 0.00 -3.89 0.00 0.00 57.50 53.59 1zzr n TRP 553 Cb 0.17 -0.52 0.01 0.00 -1.36 0.00 0.00 31.31 29.61 1zzr n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1zzr h PHE 554 N 0.00 0.31 -0.39 -2.67 3.04 -1.72 -1.32 116.94 114.20 1zzr h PHE 554 Ca 0.00 0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.08 1zzr h PHE 554 Cb 0.55 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.95 1zzr h PHE 554 CO 0.00 0.17 0.34 1.57 -2.02 0.00 0.00 178.31 178.36 1zzr h LYS 555 N 0.35 0.00 0.00 1.11 2.10 -1.72 0.64 116.57 119.05 1zzr h LYS 555 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1zzr h LYS 555 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1zzr h LYS 555 CO -0.11 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.09 1zzr n ASP 556 N -4.05 0.00 0.07 7.07 8.00 -0.50 -2.33 116.55 124.81 1zzr n ASP 556 Ca 0.07 -0.01 0.11 0.00 0.71 0.00 0.00 54.79 55.66 1zzr n ASP 556 Cb 0.52 -0.27 0.44 0.00 -0.02 0.00 0.00 41.12 41.79 1zzr n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1zzr n LEU 557 N -1.27 0.42 -1.23 0.64 4.77 0.22 -4.90 117.00 115.64 1zzr n LEU 557 Ca 0.09 0.58 -0.12 0.00 -0.03 0.00 0.00 56.01 56.54 1zzr n LEU 557 Cb 0.15 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.73 1zzr n LEU 557 CO 0.15 -0.32 -0.14 0.61 -1.33 0.00 0.00 177.39 176.36 1zzr n GLY 558 N 0.49 0.17 3.87 -0.72 0.00 -0.98 -5.01 105.19 103.00 1zzr n GLY 558 Ca 0.04 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1zzr n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zzr s LEU 559 N -3.18 4.34 0.17 0.99 1.43 -1.26 -5.02 118.68 116.14 1zzr s LEU 559 Ca 0.00 0.73 -0.20 0.00 -1.03 0.00 0.00 54.13 53.63 1zzr s LEU 559 Cb 0.00 -2.99 0.05 0.00 0.03 0.00 0.00 46.19 43.28 1zzr s LEU 559 CO 0.00 0.17 0.55 -1.59 0.23 0.00 0.00 176.35 175.70 1zzr s LYS 560 N -2.00 1.28 0.04 1.70 -2.85 -1.26 0.01 119.74 116.66 1zzr s LYS 560 Ca 0.33 -0.63 -0.10 0.00 -1.00 0.00 0.00 55.97 54.57 1zzr s LYS 560 Cb -0.14 0.55 0.01 0.00 -2.06 0.00 0.00 37.83 36.19 1zzr s LYS 560 CO 0.19 -0.55 0.22 -0.46 0.10 0.00 0.00 175.35 174.85 1zzr s TRP 561 N -3.79 0.01 0.63 1.78 -0.11 -0.75 -4.93 118.94 111.78 1zzr s TRP 561 Ca 0.03 -0.20 -0.14 0.00 1.22 0.00 0.00 56.10 57.01 1zzr s TRP 561 Cb -0.01 -0.00 -0.02 0.00 -1.50 0.00 0.00 33.47 31.94 1zzr s TRP 561 CO -0.10 -0.44 1.06 1.52 -4.62 0.00 0.00 176.95 174.38 1zzr s TYR 562 N -2.46 2.99 -0.39 5.86 -0.85 -1.26 -0.89 117.35 120.35 1zzr s TYR 562 Ca -0.06 1.49 0.23 0.00 -0.52 0.00 0.00 57.07 58.21 1zzr s TYR 562 Cb -0.01 -2.98 0.08 0.00 0.38 0.00 0.00 41.96 39.43 1zzr s TYR 562 CO -0.03 -1.18 1.09 0.41 -1.52 0.00 0.00 175.55 174.32 1zzr n GLY 563 N -1.23 -1.39 3.30 5.49 0.00 0.01 -4.84 105.19 106.53 1zzr n GLY 563 Ca 0.08 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1zzr n GLY 563 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zzr s LEU 564 N -4.80 4.65 -0.12 0.99 2.96 -1.26 -4.53 118.68 116.57 1zzr s LEU 564 Ca 0.02 -1.20 -0.25 0.00 -0.22 0.00 0.00 54.13 52.48 1zzr s LEU 564 Cb 0.11 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 1zzr s LEU 564 CO 0.78 -0.40 0.79 -2.16 -1.32 0.00 0.00 176.35 174.04 1zzr s PRO 565 N 1.45 4.36 -0.37 0.98 0.04 -1.26 -4.71 135.00 135.48 1zzr s PRO 565 Ca 0.01 0.98 0.02 0.00 0.04 0.00 0.00 61.00 62.05 1zzr s PRO 565 Cb -0.20 -3.53 0.15 0.00 0.04 0.00 0.00 34.50 30.96 1zzr s PRO 565 CO 0.04 -0.18 0.28 0.00 0.04 0.00 0.00 177.00 177.18 1zzr s ALA 566 N 1.62 0.84 0.12 8.56 0.00 -1.26 -3.65 121.76 127.99 1zzr s ALA 566 Ca 0.39 -1.90 -0.34 0.00 0.00 0.00 0.00 51.96 50.11 1zzr s ALA 566 Cb -0.17 -1.67 -0.13 0.00 0.00 0.00 0.00 23.12 21.14 1zzr s ALA 566 CO 0.15 -2.08 1.63 0.28 0.00 0.00 0.00 175.76 175.75 1zzr n VAL 567 N 3.70 0.10 -0.76 0.00 0.31 -1.06 -1.13 118.33 119.49 1zzr n VAL 567 Ca 0.17 -0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.49 1zzr n VAL 567 Cb 0.41 -1.61 0.01 0.00 -0.91 0.00 0.00 33.84 31.75 1zzr n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1zzr n SER 568 N 3.95 0.91 -0.23 4.52 3.41 -0.22 -1.80 113.62 124.16 1zzr n SER 568 Ca 0.18 -1.64 0.06 0.00 -0.26 0.00 0.00 58.87 57.21 1zzr n SER 568 Cb 0.29 -0.06 0.12 0.00 -0.26 0.00 0.00 64.21 64.30 1zzr n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1zzr n ASN 569 N -0.30 2.53 -4.98 4.04 0.23 -1.23 -4.38 115.26 111.16 1zzr n ASN 569 Ca 0.01 -2.64 -0.20 0.00 -0.53 0.00 0.00 54.58 51.23 1zzr n ASN 569 Cb 0.45 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 1zzr n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1zzr s MET 570 N -2.11 3.07 -0.13 -3.83 -1.94 -1.26 -4.26 119.30 108.84 1zzr s MET 570 Ca 0.23 -0.90 -0.00 0.00 -1.71 0.00 0.00 55.69 53.31 1zzr s MET 570 Cb 0.19 -2.75 -0.01 0.00 2.01 0.00 0.00 34.83 34.27 1zzr s MET 570 CO 0.04 -0.06 -0.13 -1.17 -0.01 0.00 0.00 175.02 173.70 1zzr s LEU 571 N -4.29 2.72 -0.28 -0.03 0.20 0.19 -4.34 118.68 112.86 1zzr s LEU 571 Ca 0.47 -0.33 -0.13 0.00 0.69 0.00 0.00 54.13 54.83 1zzr s LEU 571 Cb -0.10 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 44.01 1zzr s LEU 571 CO 0.33 0.16 0.28 -0.22 -0.29 0.00 0.00 176.35 176.61 1zzr s LEU 572 N 0.38 4.06 -0.20 -0.68 2.96 -0.49 -0.23 118.68 124.47 1zzr s LEU 572 Ca -0.10 0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1zzr s LEU 572 Cb -0.16 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 1zzr s LEU 572 CO 0.05 -0.13 0.02 -0.70 -1.32 0.00 0.00 176.35 174.28 1zzr s GLU 573 N 1.91 3.71 -0.07 1.98 2.12 0.44 -0.77 118.70 128.02 1zzr s GLU 573 Ca 0.11 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 1zzr s GLU 573 Cb -0.16 -3.14 0.03 0.00 0.26 0.00 0.00 34.13 31.12 1zzr s GLU 573 CO 0.11 0.06 -0.01 0.42 -0.54 0.00 0.00 175.26 175.30 1zzr s ILE 574 N 0.89 0.40 -1.08 -3.70 1.01 -0.69 -1.80 121.20 116.23 1zzr s ILE 574 Ca 0.02 0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.69 1zzr s ILE 574 Cb -0.14 -0.53 0.05 0.00 0.01 0.00 0.00 42.46 41.84 1zzr s ILE 574 CO 0.02 0.25 0.29 0.61 0.00 0.00 0.00 174.94 176.11 1zzr n GLY 575 N 4.95 -0.49 1.35 6.18 0.00 -1.26 0.03 105.19 115.95 1zzr n GLY 575 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1zzr n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zzr n GLY 576 N -0.98 3.22 3.78 -0.02 0.00 -1.26 -3.16 105.19 106.76 1zzr n GLY 576 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1zzr n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zzr s LEU 577 N 0.00 4.22 -0.26 0.99 1.43 0.10 -4.95 118.68 120.21 1zzr s LEU 577 Ca 0.00 2.13 -0.03 0.00 -1.03 0.00 0.00 54.13 55.20 1zzr s LEU 577 Cb 0.00 -4.07 0.02 0.00 0.03 0.00 0.00 46.19 42.18 1zzr s LEU 577 CO 0.00 -0.47 -0.03 -1.61 0.23 0.00 0.00 176.35 174.47 1zzr s GLU 578 N -2.29 2.89 -0.64 1.70 2.02 -1.26 -1.71 118.70 119.41 1zzr s GLU 578 Ca 0.56 -0.95 -0.12 0.00 0.02 0.00 0.00 54.97 54.48 1zzr s GLU 578 Cb -0.25 -3.07 0.16 0.00 0.10 0.00 0.00 34.13 31.07 1zzr s GLU 578 CO 0.32 -0.41 0.55 -0.06 0.02 0.00 0.00 175.26 175.68 1zzr s PHE 579 N 1.36 3.51 -0.65 1.61 0.40 0.05 -0.00 117.98 124.25 1zzr s PHE 579 Ca 0.01 -1.90 0.22 0.00 -0.60 0.00 0.00 56.93 54.66 1zzr s PHE 579 Cb -0.17 -3.65 0.89 0.00 0.51 0.00 0.00 43.02 40.61 1zzr s PHE 579 CO -0.03 -0.98 1.68 -1.13 0.70 0.00 0.00 175.22 175.46 1zzr n SER 580 N 4.44 0.51 -3.78 1.36 3.41 -1.26 -1.40 113.62 116.89 1zzr n SER 580 Ca 0.01 0.61 -0.29 0.00 -0.26 0.00 0.00 58.87 58.94 1zzr n SER 580 Cb 0.42 -0.72 -0.16 0.00 -0.26 0.00 0.00 64.21 63.49 1zzr n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zzr s ALA 581 N -3.21 1.39 -0.39 7.33 0.00 -1.19 -4.65 121.76 121.03 1zzr s ALA 581 Ca 0.06 -1.17 0.11 0.00 0.00 0.00 0.00 51.96 50.96 1zzr s ALA 581 Cb 0.10 -1.38 0.36 0.00 0.00 0.00 0.00 23.12 22.20 1zzr s ALA 581 CO 0.40 -1.34 0.98 0.00 0.00 0.00 0.00 175.76 175.79 1zzr n PRO 583 N 0.12 1.84 -4.16 0.00 -0.04 -1.21 -4.65 135.00 126.90 1zzr n PRO 583 Ca 0.12 0.66 -0.14 0.00 -0.04 0.00 0.00 63.50 64.10 1zzr n PRO 583 Cb 0.73 -2.30 -0.11 0.00 -0.04 0.00 0.00 33.50 31.77 1zzr n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1zzr s PHE 584 N 0.13 1.01 0.00 0.54 -0.12 -0.74 -1.40 117.98 117.40 1zzr s PHE 584 Ca 0.72 -0.62 -0.14 0.00 -0.05 0.00 0.00 56.93 56.85 1zzr s PHE 584 Cb -0.71 -0.56 0.02 0.00 -0.63 0.00 0.00 43.02 41.14 1zzr s PHE 584 CO 0.48 -0.01 0.29 -1.54 -0.05 0.00 0.00 175.22 174.39 1zzr s SER 585 N -2.23 -0.15 0.00 1.98 1.04 0.45 -2.57 113.70 112.22 1zzr s SER 585 Ca 0.02 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1zzr s SER 585 Cb -0.05 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1zzr s SER 585 CO 0.00 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.34 1zzr n GLY 586 N 1.08 2.83 3.30 7.32 0.00 -1.24 -1.31 105.19 117.17 1zzr n GLY 586 Ca -0.21 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 1zzr n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1zzr s TRP 587 N 2.42 -0.15 0.40 1.61 -2.14 -1.26 -4.66 118.94 115.16 1zzr s TRP 587 Ca 0.00 -0.19 -0.23 0.00 2.66 0.00 0.00 56.10 58.34 1zzr s TRP 587 Cb 0.00 0.21 -0.09 0.00 -3.10 0.00 0.00 33.47 30.48 1zzr s TRP 587 CO 0.00 -0.67 1.01 0.71 -2.66 0.00 0.00 176.95 175.33 1zzr s TYR 588 N -3.79 3.32 -0.13 1.66 1.51 -1.26 -4.93 117.35 113.73 1zzr s TYR 588 Ca 0.03 1.66 -0.11 0.00 -1.01 0.00 0.00 57.07 57.64 1zzr s TYR 588 Cb 0.02 -3.02 -0.05 0.00 -0.11 0.00 0.00 41.96 38.80 1zzr s TYR 588 CO -0.12 -0.39 0.22 1.41 -1.11 0.00 0.00 175.55 175.56 1zzr s MET 589 N -2.65 3.89 0.27 -0.62 -2.45 -1.26 -1.56 119.30 114.92 1zzr s MET 589 Ca 0.58 -0.00 -0.05 0.00 -1.25 0.00 0.00 55.69 54.97 1zzr s MET 589 Cb -0.18 -3.30 0.51 0.00 1.25 0.00 0.00 34.83 33.11 1zzr s MET 589 CO 0.23 0.52 1.60 0.78 1.05 0.00 0.00 175.02 179.20 1zzr h GLY 590 N 5.73 0.89 1.75 2.11 0.00 -0.77 -1.95 103.07 110.83 1zzr h GLY 590 Ca -0.48 0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.06 1zzr h GLY 590 CO 0.67 -0.37 0.10 -0.91 0.00 0.00 0.00 176.54 176.03 1zzr h THR 591 N 0.05 0.58 -0.98 4.70 1.35 -1.94 -0.85 112.91 115.83 1zzr h THR 591 Ca 0.47 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.37 1zzr h THR 591 Cb 0.84 0.92 -0.06 0.00 -1.73 0.00 0.00 68.15 68.13 1zzr h THR 591 CO -0.82 0.00 0.64 -0.33 -0.25 0.00 0.00 175.52 174.76 1zzr h GLU 592 N 0.00 1.18 0.00 4.72 5.08 -1.76 -0.24 114.58 123.56 1zzr h GLU 592 Ca 0.05 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1zzr h GLU 592 Cb 0.24 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1zzr h GLU 592 CO -0.00 0.78 -0.50 0.82 -1.00 0.00 0.00 179.01 179.10 1zzr h ILE 593 N 1.21 0.40 -0.79 3.13 2.04 -1.40 -1.28 117.51 120.82 1zzr h ILE 593 Ca 0.40 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1zzr h ILE 593 Cb 0.04 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1zzr h ILE 593 CO -0.13 0.14 0.52 1.23 0.00 0.00 0.00 178.15 179.91 1zzr h GLY 594 N -1.00 1.12 0.00 5.37 0.00 -1.24 0.34 103.07 107.66 1zzr h GLY 594 Ca -0.08 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1zzr h GLY 594 CO -0.05 0.39 -0.28 -2.08 0.00 0.00 0.00 176.54 174.52 1zzr h VAL 595 N 1.06 0.00 0.29 4.60 2.07 -1.27 -3.33 116.25 119.66 1zzr h VAL 595 Ca 0.30 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1zzr h VAL 595 Cb -0.10 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 1zzr h VAL 595 CO -0.07 0.00 -0.14 0.03 0.02 0.00 0.00 177.57 177.41 1zzr h ARG 596 N -0.62 -0.37 -0.76 1.57 2.47 -1.50 -1.30 114.38 113.87 1zzr h ARG 596 Ca 0.00 0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 1zzr h ARG 596 Cb 0.28 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 1zzr h ARG 596 CO 0.00 -0.16 0.35 -0.91 0.56 0.00 0.00 179.97 179.81 1zzr h ASN 597 N -1.06 1.02 0.23 7.04 2.35 -1.13 -2.44 115.58 121.59 1zzr h ASN 597 Ca -0.04 -0.15 -0.35 0.00 -0.55 0.00 0.00 56.30 55.22 1zzr h ASN 597 Cb 0.38 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.50 1zzr h ASN 597 CO 0.06 0.88 -1.73 1.88 -1.65 0.00 0.00 177.43 176.87 1zzr h TYR 598 N 1.09 0.68 -0.01 1.19 0.99 -1.09 -2.39 116.97 117.43 1zzr h TYR 598 Ca 0.26 -0.50 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1zzr h TYR 598 Cb 0.15 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.85 1zzr h TYR 598 CO 0.01 1.64 -0.38 0.00 -0.00 0.00 0.00 178.16 179.43 1zzr s ASP 600 N -1.94 5.63 0.50 0.00 -0.00 -0.92 -4.68 116.67 115.27 1zzr s ASP 600 Ca 0.12 2.88 0.23 0.00 -0.00 0.00 0.00 52.55 55.78 1zzr s ASP 600 Cb 0.12 -2.65 1.31 0.00 -0.00 0.00 0.00 42.92 41.71 1zzr s ASP 600 CO 0.43 -1.34 2.05 0.78 -0.00 0.00 0.00 175.17 177.09 1zzr h ASN 601 N 2.00 0.00 -0.07 0.27 -0.26 -1.93 -2.43 115.58 113.16 1zzr h ASN 601 Ca -0.51 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.23 1zzr h ASN 601 Cb 1.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.54 1zzr h ASN 601 CO 0.60 0.14 0.00 -1.20 -1.06 0.00 0.00 177.43 175.91 1zzr n SER 602 N -3.85 1.59 0.00 5.81 7.64 -1.26 -4.70 113.62 118.84 1zzr n SER 602 Ca -0.02 -1.58 0.00 0.00 1.01 0.00 0.00 58.87 58.28 1zzr n SER 602 Cb 0.24 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1zzr n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1zzr n ARG 603 N 0.25 0.00 0.19 1.43 5.12 -0.92 -4.28 116.66 118.45 1zzr n ARG 603 Ca 0.18 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.17 1zzr n ARG 603 Cb 0.35 0.00 0.32 0.00 -1.16 0.00 0.00 32.46 31.97 1zzr n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1zzr h TYR 604 N 0.00 0.00 -6.19 -1.55 -1.99 -1.56 -3.42 116.97 102.25 1zzr h TYR 604 Ca 0.00 0.00 -0.39 0.00 2.00 0.00 0.00 58.73 60.34 1zzr h TYR 604 Cb 0.00 0.00 0.07 0.00 2.00 0.00 0.00 36.73 38.80 1zzr h TYR 604 CO 0.00 0.34 -0.86 -1.71 -0.00 0.00 0.00 178.16 175.93 1zzr n ASN 605 N -3.42 -5.56 -1.02 3.88 4.05 0.10 -4.93 115.26 108.36 1zzr n ASN 605 Ca 0.00 -0.92 0.12 0.00 0.45 0.00 0.00 54.58 54.24 1zzr n ASN 605 Cb 0.52 -3.39 0.21 0.00 1.23 0.00 0.00 39.78 38.35 1zzr n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1zzr n ILE 606 N -3.76 0.30 -0.27 -1.44 -5.35 -0.65 -4.61 119.36 103.58 1zzr n ILE 606 Ca -0.11 -0.62 0.03 0.00 -0.27 0.00 0.00 62.75 61.79 1zzr n ILE 606 Cb 0.59 1.07 0.17 0.00 -1.74 0.00 0.00 39.64 39.74 1zzr n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1zzr h LEU 607 N 4.29 0.52 0.32 7.28 3.38 -1.88 -1.47 115.31 127.75 1zzr h LEU 607 Ca 0.00 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1zzr h LEU 607 Cb 0.93 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1zzr h LEU 607 CO 0.00 0.27 -0.15 -0.33 0.09 0.00 0.00 178.44 178.32 1zzr h GLU 608 N 0.64 -0.42 -0.97 1.13 5.08 -1.99 0.28 114.58 118.33 1zzr h GLU 608 Ca 0.39 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.87 1zzr h GLU 608 Cb 0.46 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 1zzr h GLU 608 CO -0.30 -0.15 0.63 1.49 -1.00 0.00 0.00 179.01 179.68 1zzr h GLU 609 N -0.65 1.03 -0.02 2.33 4.81 -1.85 0.41 114.58 120.64 1zzr h GLU 609 Ca -0.04 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 58.99 1zzr h GLU 609 Cb 0.46 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1zzr h GLU 609 CO 0.07 0.68 -0.63 0.28 -0.73 0.00 0.00 179.01 178.68 1zzr h VAL 610 N 1.06 1.43 -0.04 0.32 2.07 -1.16 -2.67 116.25 117.26 1zzr h VAL 610 Ca 0.44 -2.11 -0.23 0.00 0.82 0.00 0.00 66.70 65.62 1zzr h VAL 610 Cb 0.31 2.12 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1zzr h VAL 610 CO -0.20 0.61 -0.91 0.00 0.02 0.00 0.00 177.57 177.09 1zzr h ALA 611 N 1.30 0.33 0.79 1.67 0.00 0.77 -2.53 119.26 121.58 1zzr h ALA 611 Ca -0.01 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1zzr h ALA 611 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1zzr h ALA 611 CO 0.09 0.75 -0.41 0.87 0.00 0.00 0.00 179.25 180.55 1zzr h LYS 612 N 0.34 -1.05 -1.00 0.00 1.57 -0.22 -1.01 116.57 115.19 1zzr h LYS 612 Ca -0.08 0.07 0.23 0.00 -1.87 0.00 0.00 60.65 59.00 1zzr h LYS 612 Cb 1.54 0.24 -0.12 0.00 0.08 0.00 0.00 32.23 33.97 1zzr h LYS 612 CO 0.17 -0.70 0.60 0.87 -0.57 0.00 0.00 179.45 179.82 1zzr h LYS 613 N -1.09 0.61 0.00 3.15 1.79 -1.53 1.56 116.57 121.05 1zzr h LYS 613 Ca -0.11 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1zzr h LYS 613 Cb 0.85 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1zzr h LYS 613 CO 0.16 0.40 0.00 -1.33 -1.08 0.00 0.00 179.45 177.60 1zzr n MET 614 N -4.85 0.08 -3.29 3.15 2.81 -0.96 -4.94 117.12 109.12 1zzr n MET 614 Ca 0.26 0.16 -0.10 0.00 -1.81 0.00 0.00 57.70 56.21 1zzr n MET 614 Cb 0.70 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1zzr n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1zzr n ASP 615 N -1.75 -6.80 -4.84 7.83 -0.08 0.53 -5.01 116.55 106.44 1zzr n ASP 615 Ca 0.05 -0.30 -0.22 0.00 -1.51 0.00 0.00 54.79 52.81 1zzr n ASP 615 Cb 0.30 -4.03 -0.04 0.00 2.34 0.00 0.00 41.12 39.69 1zzr n ASP 615 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1zzr s LEU 616 N -4.12 3.74 -0.91 -2.67 1.43 -0.92 -5.04 118.68 110.19 1zzr s LEU 616 Ca 0.04 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.55 1zzr s LEU 616 Cb -0.01 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.94 1zzr s LEU 616 CO 0.80 -0.16 1.47 -0.62 0.23 0.00 0.00 176.35 178.07 1zzr s ASP 617 N -3.91 6.21 -0.16 2.29 3.68 -1.26 -4.80 116.67 118.73 1zzr s ASP 617 Ca 0.36 -1.01 0.09 0.00 2.13 0.00 0.00 52.55 54.12 1zzr s ASP 617 Cb -0.07 -2.56 0.53 0.00 -1.45 0.00 0.00 42.92 39.36 1zzr s ASP 617 CO 0.26 -1.77 1.31 0.23 0.13 0.00 0.00 175.17 175.32 1zzr n MET 618 N 9.04 3.49 0.15 4.34 2.81 -1.26 -4.20 117.12 131.48 1zzr n MET 618 Ca 0.25 -2.03 0.03 0.00 -1.81 0.00 0.00 57.70 54.14 1zzr n MET 618 Cb 0.50 -1.99 0.07 0.00 -0.71 0.00 0.00 33.22 31.09 1zzr n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1zzr h ARG 619 N 2.53 0.00 -2.75 0.03 3.08 -2.04 -3.45 114.38 111.79 1zzr h ARG 619 Ca 0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1zzr h ARG 619 Cb 1.47 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 31.24 1zzr h ARG 619 CO 0.33 0.49 -0.38 -1.59 -1.07 0.00 0.00 179.97 177.75 1zzr s LYS 620 N -3.05 0.31 0.55 0.04 -2.85 -1.26 -5.03 119.74 108.46 1zzr s LYS 620 Ca 0.03 0.75 0.31 0.00 -1.00 0.00 0.00 55.97 56.07 1zzr s LYS 620 Cb 0.08 -0.00 1.47 0.00 -2.06 0.00 0.00 37.83 37.32 1zzr s LYS 620 CO 0.74 -0.19 1.87 1.79 0.10 0.00 0.00 175.35 179.66 1zzr h THR 621 N 5.80 0.48 0.00 3.79 1.35 -1.89 -1.43 112.91 121.00 1zzr h THR 621 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1zzr h THR 621 Cb 1.16 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1zzr h THR 621 CO 0.28 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.01 1zzr n SER 622 N -4.08 0.00 -0.03 5.36 3.41 -1.26 -0.59 113.62 116.43 1zzr n SER 622 Ca 0.16 -0.29 0.12 0.00 -0.26 0.00 0.00 58.87 58.60 1zzr n SER 622 Cb 0.92 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 65.07 1zzr n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1zzr n SER 623 N -0.99 0.64 -3.58 4.04 3.41 -0.54 -4.95 113.62 111.65 1zzr n SER 623 Ca 0.07 -0.43 -0.22 0.00 -0.26 0.00 0.00 58.87 58.02 1zzr n SER 623 Cb 0.03 0.35 0.08 0.00 -0.26 0.00 0.00 64.21 64.41 1zzr n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1zzr n LEU 624 N -1.41 -3.53 -0.10 1.04 4.77 0.24 -4.91 117.00 113.11 1zzr n LEU 624 Ca 0.06 -0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 55.31 1zzr n LEU 624 Cb 0.34 -3.01 -0.04 0.00 -2.33 0.00 0.00 43.42 38.38 1zzr n LEU 624 CO 0.35 0.54 0.63 4.11 -1.33 0.00 0.00 177.39 181.69 1zzr h TRP 625 N -2.36 0.75 -0.98 -1.77 5.08 -1.83 -1.71 115.95 113.13 1zzr h TRP 625 Ca -0.58 -0.20 0.10 0.00 1.08 0.00 0.00 58.89 59.29 1zzr h TRP 625 Cb 1.36 -0.17 -0.08 0.00 -3.00 0.00 0.00 29.16 27.28 1zzr h TRP 625 CO 0.48 0.90 0.63 0.87 -1.28 0.00 0.00 178.44 180.04 1zzr h LYS 626 N 0.38 0.99 -0.40 0.12 1.57 -1.90 0.16 116.57 117.49 1zzr h LYS 626 Ca 0.06 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1zzr h LYS 626 Cb 0.73 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1zzr h LYS 626 CO 0.05 0.65 -0.36 -0.44 -0.57 0.00 0.00 179.45 178.79 1zzr h ASP 627 N 1.02 1.01 -0.25 0.86 5.19 -1.89 -1.60 116.42 120.76 1zzr h ASP 627 Ca 0.46 -0.46 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1zzr h ASP 627 Cb 0.39 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1zzr h ASP 627 CO -0.22 1.26 0.04 1.56 -3.12 0.00 0.00 179.24 178.75 1zzr h GLN 628 N 0.78 0.42 -0.66 3.56 4.20 -0.47 -2.57 115.11 120.37 1zzr h GLN 628 Ca 0.07 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1zzr h GLN 628 Cb 0.96 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 1zzr h GLN 628 CO 0.09 0.56 0.25 0.00 -0.67 0.00 0.00 178.83 179.06 1zzr h ALA 629 N 0.85 0.86 -0.36 3.87 0.00 -1.00 -2.78 119.26 120.71 1zzr h ALA 629 Ca 0.08 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1zzr h ALA 629 Cb 0.34 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1zzr h ALA 629 CO 0.01 0.49 0.06 1.25 0.00 0.00 0.00 179.25 181.05 1zzr h LEU 630 N 0.94 -0.02 -0.53 0.00 5.85 -1.18 -0.61 115.31 119.76 1zzr h LEU 630 Ca 0.22 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.04 1zzr h LEU 630 Cb 0.22 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1zzr h LEU 630 CO -0.02 0.03 0.31 0.58 -0.34 0.00 0.00 178.44 178.99 1zzr h VAL 631 N 0.17 1.03 -0.67 1.05 2.07 -1.26 -1.55 116.25 117.09 1zzr h VAL 631 Ca 0.17 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1zzr h VAL 631 Cb 0.21 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1zzr h VAL 631 CO -0.24 0.11 0.18 -0.33 0.02 0.00 0.00 177.57 177.31 1zzr h GLU 632 N 0.60 1.07 -0.67 1.57 4.39 -1.15 -0.47 114.58 119.92 1zzr h GLU 632 Ca 0.22 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1zzr h GLU 632 Cb 0.06 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1zzr h GLU 632 CO -0.11 0.95 0.28 0.82 -1.16 0.00 0.00 179.01 179.78 1zzr h ILE 633 N 1.00 1.24 -0.00 3.13 2.04 -0.85 -0.87 117.51 123.19 1zzr h ILE 633 Ca 0.21 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1zzr h ILE 633 Cb 0.35 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1zzr h ILE 633 CO -0.00 0.29 -0.45 0.78 0.00 0.00 0.00 178.15 178.77 1zzr h ASN 634 N 0.95 0.00 -0.34 1.72 2.35 -0.96 -1.94 115.58 117.35 1zzr h ASN 634 Ca 0.22 -0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.80 1zzr h ASN 634 Cb 0.19 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1zzr h ASN 634 CO -0.02 0.45 -0.46 0.40 -1.65 0.00 0.00 177.43 176.16 1zzr h ILE 635 N 0.00 1.27 -0.41 2.81 2.04 -0.61 -2.81 117.51 119.81 1zzr h ILE 635 Ca -0.00 -1.63 0.03 0.00 1.00 0.00 0.00 64.86 64.25 1zzr h ILE 635 Cb 0.80 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 1zzr h ILE 635 CO 0.06 0.54 0.20 0.00 0.00 0.00 0.00 178.15 178.95 1zzr h ALA 636 N 0.74 0.51 -0.18 1.87 0.00 -0.82 -0.38 119.26 120.99 1zzr h ALA 636 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1zzr h ALA 636 Cb 1.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1zzr h ALA 636 CO 0.11 -0.16 0.06 0.28 0.00 0.00 0.00 179.25 179.54 1zzr h VAL 637 N 0.41 1.18 -0.55 0.00 2.07 -1.30 -1.06 116.25 117.00 1zzr h VAL 637 Ca 0.17 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1zzr h VAL 637 Cb 0.08 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1zzr h VAL 637 CO -0.12 0.17 0.18 -0.07 0.02 0.00 0.00 177.57 177.74 1zzr h LEU 638 N 0.13 0.80 -0.50 2.57 3.38 -1.38 -2.27 115.31 118.03 1zzr h LEU 638 Ca 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1zzr h LEU 638 Cb 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1zzr h LEU 638 CO -0.00 0.79 0.26 0.22 0.09 0.00 0.00 178.44 179.79 1zzr h TYR 639 N 0.76 0.70 -0.05 1.13 3.20 -0.96 -1.51 116.97 120.25 1zzr h TYR 639 Ca 0.18 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1zzr h TYR 639 Cb 0.27 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 1zzr h TYR 639 CO 0.02 0.54 0.02 0.77 -1.64 0.00 0.00 178.16 177.87 1zzr h SER 640 N 0.66 0.07 -0.06 -2.11 0.02 -1.07 -0.64 113.55 110.43 1zzr h SER 640 Ca 0.17 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1zzr h SER 640 Cb 0.08 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1zzr h SER 640 CO -0.03 0.20 -0.01 -0.26 -1.14 0.00 0.00 176.83 175.59 1zzr h PHE 641 N -0.06 -0.02 -0.92 3.45 -1.00 -1.35 -1.27 116.94 115.77 1zzr h PHE 641 Ca 0.02 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.81 1zzr h PHE 641 Cb 0.14 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.68 1zzr h PHE 641 CO -0.03 -0.02 0.60 1.96 -1.61 0.00 0.00 178.31 179.22 1zzr h GLN 642 N 0.00 1.21 -0.49 1.51 4.20 -1.23 -1.06 115.11 119.26 1zzr h GLN 642 Ca 0.03 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1zzr h GLN 642 Cb 0.04 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 1zzr h GLN 642 CO -0.06 0.81 0.01 0.77 -0.67 0.00 0.00 178.83 179.69 1zzr h SER 643 N 1.25 0.77 -0.32 1.46 0.02 -0.66 -2.36 113.55 113.71 1zzr h SER 643 Ca 0.34 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1zzr h SER 643 Cb -0.14 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.20 1zzr h SER 643 CO -0.07 0.83 0.00 0.47 -1.14 0.00 0.00 176.83 176.92 1zzr n ASP 644 N -4.22 2.02 -3.78 3.07 8.00 -0.52 -4.95 116.55 116.18 1zzr n ASP 644 Ca 0.03 -1.90 -0.27 0.00 0.71 0.00 0.00 54.79 53.36 1zzr n ASP 644 Cb 0.29 -0.21 0.05 0.00 -0.02 0.00 0.00 41.12 41.23 1zzr n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1zzr n LYS 645 N 0.58 -6.32 -4.22 -1.24 5.02 -0.59 -4.99 118.16 106.40 1zzr n LYS 645 Ca 0.15 0.68 -0.34 0.00 -2.02 0.00 0.00 58.31 56.78 1zzr n LYS 645 Cb 0.34 -5.61 -0.12 0.00 -0.02 0.00 0.00 35.03 29.62 1zzr n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1zzr s VAL 646 N -3.34 3.90 0.25 -0.18 1.01 -0.51 -4.27 120.40 117.26 1zzr s VAL 646 Ca 0.56 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1zzr s VAL 646 Cb -0.27 -2.74 -0.14 0.00 0.00 0.00 0.00 36.38 33.23 1zzr s VAL 646 CO 0.79 0.46 1.17 0.41 0.00 0.00 0.00 175.10 177.93 1zzr n THR 647 N 3.93 1.45 -3.54 3.92 -1.04 0.48 -4.30 114.28 115.18 1zzr n THR 647 Ca -0.17 -0.36 -0.10 0.00 -2.04 0.00 0.00 64.05 61.37 1zzr n THR 647 Cb 0.52 -1.12 -0.04 0.00 -1.82 0.00 0.00 70.33 67.87 1zzr n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1zzr s ILE 648 N -0.59 0.00 0.00 12.58 2.07 -1.26 -4.48 121.20 129.52 1zzr s ILE 648 Ca 0.64 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.91 1zzr s ILE 648 Cb -0.72 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.86 1zzr s ILE 648 CO 0.56 0.00 -0.09 0.54 -1.91 0.00 0.00 174.94 174.04 1zzr s VAL 649 N -2.01 0.68 0.54 4.00 0.11 -0.60 -4.99 120.40 118.12 1zzr s VAL 649 Ca 0.00 -0.46 -0.09 0.00 -2.93 0.00 0.00 61.98 58.51 1zzr s VAL 649 Cb -0.01 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1zzr s VAL 649 CO -0.02 0.12 0.90 1.51 -3.33 0.00 0.00 175.10 174.28 1zzr s ASP 650 N -0.38 6.28 0.55 3.54 -4.77 -1.26 -0.02 116.67 120.61 1zzr s ASP 650 Ca 0.02 1.19 0.29 0.00 -3.30 0.00 0.00 52.55 50.75 1zzr s ASP 650 Cb -0.04 -2.36 1.61 0.00 -1.09 0.00 0.00 42.92 41.03 1zzr s ASP 650 CO -0.00 -0.70 2.14 1.12 0.70 0.00 0.00 175.17 178.43 1zzr h HIS 651 N 0.08 0.00 -0.03 2.11 2.07 -1.98 -0.91 115.15 116.48 1zzr h HIS 651 Ca -0.46 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.02 1zzr h HIS 651 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 1zzr h HIS 651 CO 0.62 0.08 -0.15 0.45 -3.07 0.00 0.00 177.93 175.86 1zzr h HIS 652 N 0.00 0.22 -0.27 6.12 3.86 -1.96 -2.18 115.15 120.94 1zzr h HIS 652 Ca -0.00 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 1zzr h HIS 652 Cb 0.23 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1zzr h HIS 652 CO 0.00 0.79 0.12 1.03 0.86 0.00 0.00 177.93 180.72 1zzr h SER 653 N -0.42 0.36 -0.59 2.45 0.87 -1.88 -1.42 113.55 112.92 1zzr h SER 653 Ca -0.01 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1zzr h SER 653 Cb 0.80 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.64 1zzr h SER 653 CO 0.03 0.40 0.19 0.00 -0.53 0.00 0.00 176.83 176.93 1zzr h ALA 654 N 0.97 0.77 -0.15 6.23 0.00 -1.24 -1.44 119.26 124.40 1zzr h ALA 654 Ca 0.09 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1zzr h ALA 654 Cb 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1zzr h ALA 654 CO -0.01 0.43 -0.54 1.79 0.00 0.00 0.00 179.25 180.92 1zzr h THR 655 N 0.84 1.34 -0.47 0.00 1.35 -1.34 -0.72 112.91 113.90 1zzr h THR 655 Ca 0.19 -1.81 -0.07 0.00 -0.55 0.00 0.00 66.41 64.18 1zzr h THR 655 Cb 0.27 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 1zzr h THR 655 CO -0.01 0.55 0.03 -0.08 -0.25 0.00 0.00 175.52 175.77 1zzr h GLU 656 N 0.34 0.81 -0.52 4.72 4.81 -1.08 -1.87 114.58 121.80 1zzr h GLU 656 Ca 0.01 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1zzr h GLU 656 Cb 1.06 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1zzr h GLU 656 CO 0.10 0.84 0.18 0.77 -0.73 0.00 0.00 179.01 180.17 1zzr h SER 657 N 0.66 0.73 -0.91 1.04 0.02 -1.11 -2.91 113.55 111.08 1zzr h SER 657 Ca 0.14 -0.19 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1zzr h SER 657 Cb 0.46 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 1zzr h SER 657 CO 0.02 0.73 0.59 0.15 -1.14 0.00 0.00 176.83 177.18 1zzr h PHE 658 N 0.70 1.10 -0.54 3.45 3.57 -0.87 0.37 116.94 124.72 1zzr h PHE 658 Ca 0.17 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1zzr h PHE 658 Cb 0.24 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1zzr h PHE 658 CO 0.01 0.62 0.35 0.82 -2.23 0.00 0.00 178.31 177.88 1zzr h ILE 659 N 1.13 1.11 -0.42 1.41 1.08 -1.16 0.38 117.51 121.04 1zzr h ILE 659 Ca 0.37 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 64.56 1zzr h ILE 659 Cb 0.04 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 1zzr h ILE 659 CO -0.13 0.13 0.11 0.11 -0.69 0.00 0.00 178.15 177.68 1zzr h LYS 660 N 0.70 0.67 -0.19 2.37 1.57 -1.25 -0.63 116.57 119.81 1zzr h LYS 660 Ca 0.21 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1zzr h LYS 660 Cb -0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1zzr h LYS 660 CO -0.06 0.68 0.09 1.25 -0.57 0.00 0.00 179.45 180.84 1zzr h HIS 661 N 0.54 0.17 -0.35 -1.35 2.76 -0.55 -1.45 115.15 114.92 1zzr h HIS 661 Ca 0.13 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1zzr h HIS 661 Cb 0.31 -0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 1zzr h HIS 661 CO 0.02 0.09 0.14 1.98 -1.30 0.00 0.00 177.93 178.86 1zzr h MET 662 N 0.20 0.29 -0.48 5.26 1.85 0.04 -0.83 114.93 121.25 1zzr h MET 662 Ca 0.08 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.15 1zzr h MET 662 Cb 0.02 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 31.97 1zzr h MET 662 CO -0.06 0.19 0.29 0.93 -0.40 0.00 0.00 176.91 177.86 1zzr h GLU 663 N 0.29 0.64 -0.97 0.39 5.08 -0.90 -1.29 114.58 117.83 1zzr h GLU 663 Ca 0.16 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1zzr h GLU 663 Cb 0.12 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.16 1zzr h GLU 663 CO -0.15 0.46 0.62 -0.97 -1.00 0.00 0.00 179.01 177.98 1zzr h ASN 664 N 0.64 1.00 -0.51 1.42 -1.24 -0.79 -1.38 115.58 114.71 1zzr h ASN 664 Ca 0.17 0.01 -0.10 0.00 0.71 0.00 0.00 56.30 57.09 1zzr h ASN 664 Cb -0.02 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 1zzr h ASN 664 CO -0.03 0.63 -0.07 -0.33 -1.29 0.00 0.00 177.43 176.34 1zzr h GLU 665 N 1.13 0.95 -0.71 6.67 4.39 -0.64 0.15 114.58 126.51 1zzr h GLU 665 Ca 0.42 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 1zzr h GLU 665 Cb 0.17 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1zzr h GLU 665 CO -0.17 1.00 0.37 1.88 -1.16 0.00 0.00 179.01 180.93 1zzr h TYR 666 N 0.81 1.00 -0.10 4.33 -1.99 -0.58 0.39 116.97 120.83 1zzr h TYR 666 Ca 0.14 -0.04 -0.13 0.00 2.00 0.00 0.00 58.73 60.70 1zzr h TYR 666 Cb 0.62 -0.32 0.01 0.00 2.00 0.00 0.00 36.73 39.04 1zzr h TYR 666 CO 0.05 0.72 -0.46 0.00 -0.00 0.00 0.00 178.16 178.47 1zzr h ARG 667 N 0.99 0.49 0.00 4.88 3.08 -1.01 -1.61 114.38 121.19 1zzr h ARG 667 Ca 0.25 -0.39 -0.25 0.00 0.07 0.00 0.00 59.98 59.65 1zzr h ARG 667 Cb 0.07 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1zzr h ARG 667 CO -0.04 1.02 -1.66 0.00 -1.07 0.00 0.00 179.97 178.23 1zzr n ARG 669 N -2.97 3.06 -0.46 0.00 0.63 0.13 -5.01 116.66 112.04 1zzr n ARG 669 Ca -0.15 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 1zzr n ARG 669 Cb 0.98 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.90 1zzr n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1zzr n GLY 670 N 1.42 0.76 0.00 5.14 0.00 -0.50 -4.62 105.19 107.39 1zzr n GLY 670 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1zzr n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zzr n GLY 671 N -2.37 0.80 3.12 -0.02 0.00 -1.08 -0.59 105.19 105.06 1zzr n GLY 671 Ca 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 1zzr n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zzr n PRO 673 N 4.82 1.96 -3.81 0.00 -0.04 -1.26 -4.67 135.00 132.01 1zzr n PRO 673 Ca 0.08 0.71 -0.13 0.00 -0.04 0.00 0.00 63.50 64.13 1zzr n PRO 673 Cb 0.54 -2.49 -0.14 0.00 -0.04 0.00 0.00 33.50 31.38 1zzr n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zzr s ALA 674 N 2.15 -0.23 -0.51 0.55 0.00 0.87 -4.18 121.76 120.40 1zzr s ALA 674 Ca 0.86 0.40 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 1zzr s ALA 674 Cb -0.75 -0.25 0.12 0.00 0.00 0.00 0.00 23.12 22.24 1zzr s ALA 674 CO 0.46 -0.08 0.44 0.34 0.00 0.00 0.00 175.76 176.92 1zzr s ASP 675 N 0.43 6.05 0.26 0.00 -1.08 0.21 -3.54 116.67 119.00 1zzr s ASP 675 Ca -0.03 -1.76 -0.01 0.00 -0.52 0.00 0.00 52.55 50.23 1zzr s ASP 675 Cb -0.05 -2.15 0.49 0.00 -1.46 0.00 0.00 42.92 39.75 1zzr s ASP 675 CO -0.02 -0.79 1.81 -0.25 0.52 0.00 0.00 175.17 176.45 1zzr h TRP 676 N 8.76 0.97 -0.59 -5.34 7.01 -1.93 0.20 115.95 125.03 1zzr h TRP 676 Ca -0.28 0.03 0.08 0.00 2.11 0.00 0.00 58.89 60.84 1zzr h TRP 676 Cb 1.09 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 27.82 1zzr h TRP 676 CO 0.69 0.37 0.39 0.28 -2.79 0.00 0.00 178.44 177.39 1zzr h VAL 677 N 0.86 0.94 0.02 2.65 2.07 -1.93 -2.43 116.25 118.43 1zzr h VAL 677 Ca 0.45 -0.16 -0.36 0.00 0.82 0.00 0.00 66.70 67.45 1zzr h VAL 677 Cb 0.46 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1zzr h VAL 677 CO -0.27 0.09 -2.23 0.79 0.02 0.00 0.00 177.57 175.97 1zzr n TRP 678 N -4.47 0.41 -0.00 1.57 7.02 -0.46 -4.52 117.44 116.99 1zzr n TRP 678 Ca 0.09 0.11 -0.11 0.00 -1.02 0.00 0.00 57.50 56.57 1zzr n TRP 678 Cb 0.31 -1.06 -0.06 0.00 -2.42 0.00 0.00 31.31 28.08 1zzr n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1zzr h ILE 679 N 0.01 1.07 -2.56 -0.99 1.08 -0.52 -3.43 117.51 112.17 1zzr h ILE 679 Ca -0.49 -0.18 -0.53 0.00 -0.39 0.00 0.00 64.86 63.27 1zzr h ILE 679 Cb 2.05 1.04 0.04 0.00 -3.07 0.00 0.00 36.82 36.88 1zzr h ILE 679 CO 0.01 0.06 1.09 -0.69 -0.69 0.00 0.00 178.15 177.93 1zzr s VAL 680 N -5.95 2.63 0.58 1.67 1.01 -0.93 -4.93 120.40 114.48 1zzr s VAL 680 Ca -0.13 0.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 1zzr s VAL 680 Cb 0.06 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1zzr s VAL 680 CO 0.68 -0.00 1.11 -2.65 0.00 0.00 0.00 175.10 174.23 1zzr n PRO 681 N 5.70 1.16 0.00 2.72 -0.02 -1.26 -4.90 135.00 138.39 1zzr n PRO 681 Ca 0.17 0.44 0.04 0.00 -2.02 0.00 0.00 63.50 62.14 1zzr n PRO 681 Cb 0.39 -2.30 0.27 0.00 -0.02 0.00 0.00 33.50 31.83 1zzr n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1zzr n PRO 682 N -1.02 0.56 -3.76 0.52 -0.04 -1.26 -4.22 135.00 125.78 1zzr n PRO 682 Ca 0.13 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.47 1zzr n PRO 682 Cb 0.46 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 1zzr n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zzr s MET 683 N -2.00 0.79 -1.01 0.54 0.23 -1.26 -4.94 119.30 111.65 1zzr s MET 683 Ca 0.13 -0.48 -0.04 0.00 -1.03 0.00 0.00 55.69 54.27 1zzr s MET 683 Cb 0.06 0.34 0.03 0.00 -1.53 0.00 0.00 34.83 33.73 1zzr s MET 683 CO 0.10 -0.25 0.21 0.43 -2.03 0.00 0.00 175.02 173.48 1zzr n SER 684 N 0.66 -3.38 -0.21 -1.18 7.64 -1.26 -4.88 113.62 111.00 1zzr n SER 684 Ca -0.19 -0.02 -0.05 0.00 1.01 0.00 0.00 58.87 59.62 1zzr n SER 684 Cb 0.59 -2.87 -0.05 0.00 -1.01 0.00 0.00 64.21 60.87 1zzr n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zzr n GLY 685 N -0.91 -2.61 0.00 0.23 0.00 -1.26 -1.89 105.19 98.75 1zzr n GLY 685 Ca -0.07 0.84 0.05 0.00 0.00 0.00 0.00 46.02 46.84 1zzr n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1zzr n SER 686 N -4.13 0.00 -0.93 1.61 3.41 -1.26 -1.80 113.62 110.52 1zzr n SER 686 Ca 0.01 0.44 0.10 0.00 -0.26 0.00 0.00 58.87 59.16 1zzr n SER 686 Cb 0.13 -0.46 0.27 0.00 -0.26 0.00 0.00 64.21 63.88 1zzr n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1zzr n ILE 687 N -1.46 0.52 -4.21 -1.33 -5.35 -0.79 -4.83 119.36 101.91 1zzr n ILE 687 Ca 0.03 -0.63 -0.31 0.00 -0.27 0.00 0.00 62.75 61.56 1zzr n ILE 687 Cb 0.10 0.56 -0.08 0.00 -1.74 0.00 0.00 39.64 38.47 1zzr n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1zzr s THR 688 N -1.48 4.09 0.50 7.28 -4.23 -0.74 -5.03 115.64 116.02 1zzr s THR 688 Ca 0.36 -0.79 0.15 0.00 -1.18 0.00 0.00 61.69 60.23 1zzr s THR 688 Cb 0.20 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.41 1zzr s THR 688 CO 0.27 0.25 2.12 1.55 -0.54 0.00 0.00 174.62 178.27 1zzr h PRO 689 N 3.89 0.03 -0.20 3.99 0.13 -1.88 -3.13 132.00 134.84 1zzr h PRO 689 Ca -0.48 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1zzr h PRO 689 Cb 1.17 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1zzr h PRO 689 CO 0.59 0.05 0.12 -0.39 -0.23 0.00 0.00 178.00 178.14 1zzr h VAL 690 N 0.03 1.06 -0.88 1.56 -1.51 -1.88 -2.23 116.25 112.40 1zzr h VAL 690 Ca 0.01 -0.13 0.09 0.00 -1.23 0.00 0.00 66.70 65.44 1zzr h VAL 690 Cb 0.06 0.78 -0.06 0.00 -2.13 0.00 0.00 31.29 29.93 1zzr h VAL 690 CO 0.00 0.06 0.57 0.15 -1.23 0.00 0.00 177.57 177.12 1zzr h PHE 691 N 0.27 0.94 -0.07 5.19 3.57 -1.74 -1.13 116.94 123.97 1zzr h PHE 691 Ca 0.07 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1zzr h PHE 691 Cb -0.01 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1zzr h PHE 691 CO 0.00 0.44 0.00 0.72 -2.23 0.00 0.00 178.31 177.24 1zzr n HIS 692 N -4.52 0.08 -3.56 0.41 8.25 -0.84 -4.84 115.22 110.20 1zzr n HIS 692 Ca 0.15 -0.04 -0.39 0.00 -0.26 0.00 0.00 57.72 57.17 1zzr n HIS 692 Cb 0.30 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.30 1zzr n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1zzr s GLN 693 N -1.92 3.68 0.46 -0.41 2.00 -0.43 -1.24 119.66 121.80 1zzr s GLN 693 Ca 0.36 -0.51 -0.23 0.00 -2.00 0.00 0.00 55.36 52.97 1zzr s GLN 693 Cb 0.19 -3.74 -0.07 0.00 0.80 0.00 0.00 33.01 30.18 1zzr s GLN 693 CO 0.29 -0.33 1.19 -1.21 -0.50 0.00 0.00 175.29 174.73 1zzr s GLU 694 N 1.74 3.75 0.10 1.67 2.02 -0.60 -5.00 118.70 122.38 1zzr s GLU 694 Ca 0.06 1.84 0.02 0.00 0.02 0.00 0.00 54.97 56.92 1zzr s GLU 694 Cb -0.17 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 1zzr s GLU 694 CO 0.11 -0.58 -0.07 -1.64 0.02 0.00 0.00 175.26 173.10 1zzr s MET 695 N -2.64 0.86 -0.08 1.61 -1.94 -1.26 -4.63 119.30 111.21 1zzr s MET 695 Ca 0.63 -1.35 0.04 0.00 -1.71 0.00 0.00 55.69 53.30 1zzr s MET 695 Cb -0.30 -0.23 0.00 0.00 2.01 0.00 0.00 34.83 36.30 1zzr s MET 695 CO 0.37 -0.01 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.65 1zzr s LEU 696 N -3.05 1.96 -0.15 -0.03 1.43 -1.26 -4.97 118.68 112.60 1zzr s LEU 696 Ca 0.12 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1zzr s LEU 696 Cb 0.05 -1.22 -0.00 0.00 0.03 0.00 0.00 46.19 45.05 1zzr s LEU 696 CO -0.04 0.14 -0.16 0.21 0.23 0.00 0.00 176.35 176.73 1zzr s ASN 697 N 0.33 3.64 0.20 2.29 3.04 -1.23 -0.09 114.94 123.11 1zzr s ASN 697 Ca -0.15 -0.47 -0.14 0.00 0.04 0.00 0.00 52.86 52.14 1zzr s ASN 697 Cb -0.16 -1.56 0.01 0.00 -1.54 0.00 0.00 41.25 38.00 1zzr s ASN 697 CO 0.06 0.09 0.45 -0.72 -3.04 0.00 0.00 177.10 173.94 1zzr s TYR 698 N 0.79 0.12 -0.25 0.43 -0.85 -1.26 -4.96 117.35 111.37 1zzr s TYR 698 Ca -0.06 -0.47 -0.06 0.00 -0.52 0.00 0.00 57.07 55.96 1zzr s TYR 698 Cb -0.15 0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.40 1zzr s TYR 698 CO 0.00 -0.88 0.04 1.03 -1.52 0.00 0.00 175.55 174.22 1zzr s ARG 699 N -3.93 3.47 0.16 -3.49 0.52 -1.26 -4.84 118.95 109.58 1zzr s ARG 699 Ca 0.14 -0.59 0.07 0.00 -0.52 0.00 0.00 55.73 54.83 1zzr s ARG 699 Cb 0.00 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 1zzr s ARG 699 CO 0.00 -0.24 -0.01 -0.51 0.02 0.00 0.00 175.30 174.57 1zzr s LEU 700 N 1.55 3.31 0.17 2.53 1.43 -1.26 -3.75 118.68 122.67 1zzr s LEU 700 Ca 0.06 -0.37 0.10 0.00 -1.03 0.00 0.00 54.13 52.88 1zzr s LEU 700 Cb -0.15 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1zzr s LEU 700 CO 0.01 0.11 -0.15 0.42 0.23 0.00 0.00 176.35 176.97 1zzr s THR 701 N -1.64 2.92 0.79 5.49 -4.23 -1.26 -4.28 115.64 113.43 1zzr s THR 701 Ca 0.27 -1.73 -0.15 0.00 -1.18 0.00 0.00 61.69 58.90 1zzr s THR 701 Cb -0.10 -2.42 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1zzr s THR 701 CO 0.18 -0.08 0.82 -2.65 -0.54 0.00 0.00 174.62 172.35 1zzr n PRO 702 N 0.22 0.21 -3.68 3.99 -0.02 -1.26 -5.01 135.00 129.44 1zzr n PRO 702 Ca -0.12 0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.39 1zzr n PRO 702 Cb 0.55 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 1zzr n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1zzr s SER 703 N -1.80 -0.29 -0.18 2.55 1.04 -0.74 -3.91 113.70 110.36 1zzr s SER 703 Ca 0.68 -0.40 -0.08 0.00 0.48 0.00 0.00 55.95 56.64 1zzr s SER 703 Cb -0.31 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 1zzr s SER 703 CO 0.56 -1.01 0.08 -0.36 0.98 0.00 0.00 173.24 173.49 1zzr s PHE 704 N -3.85 3.31 0.21 5.02 0.40 -1.26 -0.42 117.98 121.39 1zzr s PHE 704 Ca 0.07 0.18 0.07 0.00 -0.60 0.00 0.00 56.93 56.65 1zzr s PHE 704 Cb -0.00 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.39 1zzr s PHE 704 CO -0.06 0.24 -0.12 -1.21 0.70 0.00 0.00 175.22 174.77 1zzr s GLU 705 N 0.25 1.32 0.55 0.44 0.41 0.68 -4.93 118.70 117.42 1zzr s GLU 705 Ca 0.05 -1.60 -0.13 0.00 -0.41 0.00 0.00 54.97 52.89 1zzr s GLU 705 Cb -0.12 -1.03 -0.06 0.00 -1.78 0.00 0.00 34.13 31.14 1zzr s GLU 705 CO -0.00 0.14 0.98 0.71 -0.49 0.00 0.00 175.26 176.60 1zzr s TYR 706 N -3.05 3.54 0.05 1.61 4.12 -1.26 -0.63 117.35 121.73 1zzr s TYR 706 Ca 0.23 1.32 -0.04 0.00 0.02 0.00 0.00 57.07 58.59 1zzr s TYR 706 Cb 0.00 -2.70 -0.02 0.00 -1.52 0.00 0.00 41.96 37.72 1zzr s TYR 706 CO 0.07 -0.49 0.06 1.14 0.02 0.00 0.00 175.55 176.34 1zzr s GLN 707 N -4.61 0.62 0.60 -0.62 -2.07 -1.26 -4.75 119.66 107.57 1zzr s GLN 707 Ca 0.56 -0.94 -0.18 0.00 -1.82 0.00 0.00 55.36 52.98 1zzr s GLN 707 Cb -0.10 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 32.02 1zzr s GLN 707 CO 0.43 -0.15 1.16 -1.25 -1.32 0.00 0.00 175.29 174.16 1zzr s PRO 708 N -3.21 3.02 0.31 9.60 0.04 -1.26 -4.93 135.00 138.58 1zzr s PRO 708 Ca 0.00 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 1zzr s PRO 708 Cb 0.02 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 1zzr s PRO 708 CO -0.07 -1.13 1.57 -0.25 0.04 0.00 0.00 177.00 177.16 1zzr n ASP 709 N -1.70 3.85 -0.02 6.66 8.00 -1.26 -4.89 116.55 127.19 1zzr n ASP 709 Ca 0.12 1.17 0.03 0.00 0.71 0.00 0.00 54.79 56.82 1zzr n ASP 709 Cb 0.51 -1.60 0.40 0.00 -0.02 0.00 0.00 41.12 40.40 1zzr n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1zzr h PRO 710 N 4.34 0.57 0.00 -0.24 0.13 -1.91 -2.11 132.00 132.78 1zzr h PRO 710 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1zzr h PRO 710 Cb 1.23 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1zzr h PRO 710 CO 0.76 0.40 0.00 0.11 -0.23 0.00 0.00 178.00 179.04 1zzr h TRP 711 N 0.58 0.00 0.00 1.56 0.09 -1.96 0.87 115.95 117.10 1zzr h TRP 711 Ca 0.15 0.00 -0.12 0.00 0.09 0.00 0.00 58.89 59.01 1zzr h TRP 711 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.20 1zzr h TRP 711 CO 0.00 0.00 -0.83 -0.91 0.09 0.00 0.00 178.44 176.79 1zzr h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.75 -3.38 115.58 112.91 1zzr h ASN 712 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1zzr h ASN 712 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1zzr h ASN 712 CO 0.00 0.51 -0.90 0.35 -1.65 0.00 0.00 177.43 175.74 1zzr n THR 713 N -3.09 0.00 -1.88 2.81 -2.24 -0.57 -5.04 114.28 104.27 1zzr n THR 713 Ca -0.02 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 1zzr n THR 713 Cb 0.77 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1zzr n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1zzr s HIS 714 N -2.22 2.93 -0.55 4.78 5.04 0.19 -4.97 115.29 120.50 1zzr s HIS 714 Ca 0.00 0.74 -0.19 0.00 -1.54 0.00 0.00 55.06 54.08 1zzr s HIS 714 Cb 0.06 -3.97 0.08 0.00 0.04 0.00 0.00 32.58 28.79 1zzr s HIS 714 CO 0.37 -3.40 0.65 0.08 -2.34 0.00 0.00 174.74 170.09 1zzr s VAL 715 N 0.47 4.88 0.34 0.89 1.01 -1.26 -5.03 120.40 121.70 1zzr s VAL 715 Ca 0.66 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 1zzr s VAL 715 Cb -0.45 -4.39 -0.10 0.00 0.00 0.00 0.00 36.38 31.44 1zzr s VAL 715 CO 0.40 -0.96 1.34 0.26 0.00 0.00 0.00 175.10 176.14 1zzr s TRP 716 N 2.56 2.98 -0.09 5.22 0.52 -1.26 -4.90 118.94 123.96 1zzr s TRP 716 Ca 0.12 1.37 0.16 0.00 0.02 0.00 0.00 56.10 57.77 1zzr s TRP 716 Cb -0.22 -3.74 -0.24 0.00 -1.15 0.00 0.00 33.47 28.12 1zzr s TRP 716 CO 0.08 -2.05 0.22 1.63 0.02 0.00 0.00 176.95 176.86 1zzr n LYS 717 N 0.79 0.92 -0.91 4.98 5.02 -1.26 -5.11 118.16 122.59 1zzr n LYS 717 Ca 0.00 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1zzr n LYS 717 Cb 0.41 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1zzr n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29