#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx6 s PHE 300 N 0.00 2.77 -0.14 -0.14 2.99 -1.26 -4.70 117.98 117.49 3jx6 s PHE 300 Ca 0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 56.93 55.65 3jx6 s PHE 300 Cb 0.00 -1.90 -0.02 0.00 0.00 0.00 0.00 43.02 41.10 3jx6 s PHE 300 CO 0.00 -0.59 -0.07 -0.51 -0.00 0.00 0.00 175.22 174.05 3jx6 s LEU 301 N 0.98 3.08 -0.18 -0.37 1.43 -1.11 -4.95 118.68 117.57 3jx6 s LEU 301 Ca -0.02 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3jx6 s LEU 301 Cb -0.15 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 3jx6 s LEU 301 CO -0.04 0.18 0.03 -0.54 0.23 0.00 0.00 176.35 176.21 3jx6 s LYS 302 N 0.28 3.83 -0.08 1.70 1.02 -1.26 0.40 119.74 125.63 3jx6 s LYS 302 Ca -0.05 -0.42 -0.00 0.00 0.02 0.00 0.00 55.97 55.51 3jx6 s LYS 302 Cb -0.15 -3.12 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 3jx6 s LYS 302 CO 0.04 0.20 -0.04 0.14 -0.92 0.00 0.00 175.35 174.77 3jx6 s VAL 303 N 0.53 3.98 0.08 3.17 -7.23 0.56 -4.95 120.40 116.54 3jx6 s VAL 303 Ca 0.01 -0.37 0.08 0.00 -1.81 0.00 0.00 61.98 59.88 3jx6 s VAL 303 Cb -0.13 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 3jx6 s VAL 303 CO 0.02 0.60 -0.17 -0.75 -0.31 0.00 0.00 175.10 174.49 3jx6 s LYS 304 N -0.83 1.97 -0.24 4.82 2.20 -1.26 0.09 119.74 126.49 3jx6 s LYS 304 Ca 0.13 -1.06 -0.07 0.00 -0.36 0.00 0.00 55.97 54.61 3jx6 s LYS 304 Cb -0.11 -2.17 -0.03 0.00 -1.51 0.00 0.00 37.83 34.00 3jx6 s LYS 304 CO 0.02 0.51 0.07 1.21 -0.36 0.00 0.00 175.35 176.80 3jx6 s ASN 305 N -1.78 5.16 0.00 1.43 3.84 -0.95 -1.55 114.94 121.10 3jx6 s ASN 305 Ca 0.16 -0.18 0.30 0.00 0.21 0.00 0.00 52.86 53.36 3jx6 s ASN 305 Cb -0.11 -1.92 1.49 0.00 -0.55 0.00 0.00 41.25 40.16 3jx6 s ASN 305 CO 0.08 -0.01 2.01 0.79 -2.79 0.00 0.00 177.10 177.18 3jx6 n TRP 306 N 4.76 0.00 -0.07 0.43 7.02 -0.38 -0.54 117.44 128.66 3jx6 n TRP 306 Ca -0.16 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.11 3jx6 n TRP 306 Cb 0.52 -0.15 -0.13 0.00 -2.42 0.00 0.00 31.31 29.13 3jx6 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jx6 n GLU 307 N -0.99 0.68 -0.04 -0.99 2.13 -1.26 -4.69 120.64 115.47 3jx6 n GLU 307 Ca 0.17 0.27 -0.02 0.00 0.66 0.00 0.00 57.16 58.24 3jx6 n GLU 307 Cb 0.23 -1.63 -0.10 0.00 0.27 0.00 0.00 31.44 30.21 3jx6 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jx6 n THR 308 N -3.61 0.55 -0.95 6.31 -2.24 -1.19 -5.01 114.28 108.13 3jx6 n THR 308 Ca -0.39 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 3jx6 n THR 308 Cb 0.97 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3jx6 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx6 n ASP 309 N -2.28 0.00 -4.68 3.42 10.43 0.29 -5.01 116.55 118.73 3jx6 n ASP 309 Ca -0.14 0.00 -0.46 0.00 2.57 0.00 0.00 54.79 56.76 3jx6 n ASP 309 Cb 0.71 -0.03 -0.04 0.00 1.84 0.00 0.00 41.12 43.60 3jx6 n ASP 309 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3jx6 n VAL 310 N -2.00 0.55 -4.19 2.53 0.31 -1.26 -4.78 118.33 109.49 3jx6 n VAL 310 Ca 0.00 -0.10 -0.34 0.00 -0.01 0.00 0.00 64.34 63.89 3jx6 n VAL 310 Cb 0.00 -1.99 -0.12 0.00 -0.91 0.00 0.00 33.84 30.82 3jx6 n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3jx6 s VAL 311 N 3.72 4.09 0.30 2.52 1.01 -1.26 -2.24 120.40 128.54 3jx6 s VAL 311 Ca 0.89 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 62.69 3jx6 s VAL 311 Cb -0.60 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 3jx6 s VAL 311 CO 0.46 0.46 -0.02 -0.76 0.00 0.00 0.00 175.10 175.24 3jx6 s LEU 312 N 0.63 3.04 -0.12 3.92 1.43 0.11 -4.95 118.68 122.74 3jx6 s LEU 312 Ca -0.01 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 3jx6 s LEU 312 Cb -0.14 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.59 3jx6 s LEU 312 CO 0.02 -0.09 -0.14 -0.89 0.23 0.00 0.00 176.35 175.48 3jx6 s THR 313 N -2.42 1.43 -0.22 5.49 2.01 -1.26 -0.32 115.64 120.34 3jx6 s THR 313 Ca 0.33 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 3jx6 s THR 313 Cb -0.04 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 3jx6 s THR 313 CO 0.19 0.43 0.08 -0.62 -0.69 0.00 0.00 174.62 174.01 3jx6 s ASP 314 N 1.17 5.48 -0.04 3.53 -1.08 0.16 -4.65 116.67 121.25 3jx6 s ASP 314 Ca -0.03 -0.05 0.10 0.00 -0.52 0.00 0.00 52.55 52.05 3jx6 s ASP 314 Cb -0.14 -1.97 -0.16 0.00 -1.46 0.00 0.00 42.92 39.19 3jx6 s ASP 314 CO -0.04 0.06 0.19 0.35 0.52 0.00 0.00 175.17 176.25 3jx6 n THR 315 N 4.32 0.17 0.26 1.71 -2.24 0.87 -2.75 114.28 116.62 3jx6 n THR 315 Ca -0.16 -0.29 0.11 0.00 -2.27 0.00 0.00 64.05 61.43 3jx6 n THR 315 Cb 0.52 0.01 0.70 0.00 -2.10 0.00 0.00 70.33 69.46 3jx6 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx6 h LEU 316 N 0.00 0.00 -1.67 3.22 5.85 -1.11 -2.04 115.31 119.56 3jx6 h LEU 316 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3jx6 h LEU 316 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3jx6 h LEU 316 CO 0.00 0.09 0.00 1.12 -0.34 0.00 0.00 178.44 179.32 3jx6 h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.84 -0.68 115.15 115.95 3jx6 h HIS 317 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jx6 h HIS 317 Cb 0.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.18 3jx6 h HIS 317 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3jx6 n LEU 318 N -2.62 0.51 -1.06 6.12 4.77 -0.77 -2.28 117.00 121.68 3jx6 n LEU 318 Ca -0.01 0.67 0.08 0.00 -0.03 0.00 0.00 56.01 56.73 3jx6 n LEU 318 Cb 0.14 -0.66 0.25 0.00 -2.33 0.00 0.00 43.42 40.83 3jx6 n LEU 318 CO 0.18 -0.67 0.72 0.29 -1.33 0.00 0.00 177.39 176.57 3jx6 n LYS 319 N -2.11 3.01 -2.60 3.23 4.76 -0.26 -4.99 118.16 119.20 3jx6 n LYS 319 Ca 0.01 -2.47 -0.42 0.00 -2.87 0.00 0.00 58.31 52.56 3jx6 n LYS 319 Cb 0.13 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 31.76 3jx6 n LYS 319 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3jx6 s SER 320 N -1.07 7.26 -0.27 4.39 1.04 -0.97 -4.87 113.70 119.21 3jx6 s SER 320 Ca 0.38 1.79 -0.13 0.00 0.48 0.00 0.00 55.95 58.48 3jx6 s SER 320 Cb 0.22 -2.57 -0.12 0.00 0.10 0.00 0.00 66.02 63.65 3jx6 s SER 320 CO 0.22 -0.34 -0.34 0.35 0.98 0.00 0.00 173.24 174.10 3jx6 n THR 321 N 3.92 1.49 -0.83 2.02 -2.24 -1.16 -5.00 114.28 112.49 3jx6 n THR 321 Ca 0.07 -0.39 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 3jx6 n THR 321 Cb 0.49 -1.84 0.26 0.00 -2.10 0.00 0.00 70.33 67.14 3jx6 n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jx6 s LEU 322 N -7.41 0.09 0.02 3.22 1.43 -1.26 -5.04 118.68 109.73 3jx6 s LEU 322 Ca -0.38 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 3jx6 s LEU 322 Cb 0.14 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 3jx6 s LEU 322 CO 0.49 -4.56 -0.05 -1.61 0.23 0.00 0.00 176.35 170.84 3jx6 s GLU 323 N -5.27 2.55 0.10 1.70 2.02 -1.26 -4.77 118.70 113.77 3jx6 s GLU 323 Ca 0.70 -0.74 0.05 0.00 0.02 0.00 0.00 54.97 55.00 3jx6 s GLU 323 Cb -0.11 -2.51 -0.23 0.00 0.10 0.00 0.00 34.13 31.37 3jx6 s GLU 323 CO 0.57 0.59 1.21 1.79 0.02 0.00 0.00 175.26 179.45 3jx6 h THR 324 N 3.61 1.62 0.00 3.63 1.35 -1.96 -3.48 112.91 117.68 3jx6 h THR 324 Ca -0.48 -3.30 0.00 0.00 -0.55 0.00 0.00 66.41 62.07 3jx6 h THR 324 Cb 1.17 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.44 3jx6 h THR 324 CO 0.55 0.94 0.00 0.61 -0.25 0.00 0.00 175.52 177.36 3jx6 n GLY 325 N 1.41 2.26 3.78 5.82 0.00 -1.26 -4.84 105.19 112.36 3jx6 n GLY 325 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3jx6 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx6 s THR 327 N -0.95 1.44 0.49 0.00 -4.23 0.35 -4.99 115.64 107.76 3jx6 s THR 327 Ca 0.34 -1.83 0.41 0.00 -1.18 0.00 0.00 61.69 59.44 3jx6 s THR 327 Cb -0.22 -2.27 0.43 0.00 1.34 0.00 0.00 72.50 71.78 3jx6 s THR 327 CO 0.24 0.00 2.25 -0.33 -0.54 0.00 0.00 174.62 176.24 3jx6 h GLU 328 N 1.20 0.00 0.00 3.99 3.07 -2.05 -2.89 114.58 117.90 3jx6 h GLU 328 Ca -0.42 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.44 3jx6 h GLU 328 Cb 1.30 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.21 3jx6 h GLU 328 CO 0.69 0.00 -1.88 0.72 -1.40 0.00 0.00 179.01 177.14 3jx6 n HIS 329 N -3.11 0.00 -3.79 4.33 8.25 -1.26 -4.98 115.22 114.66 3jx6 n HIS 329 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 3jx6 n HIS 329 Cb 0.15 -0.44 -0.14 0.00 1.12 0.00 0.00 29.99 30.68 3jx6 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jx6 s ILE 330 N -3.34 -0.02 -0.20 1.59 2.07 -1.09 -5.13 121.20 115.07 3jx6 s ILE 330 Ca -0.07 0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.19 3jx6 s ILE 330 Cb 0.12 -0.22 -0.04 0.00 0.13 0.00 0.00 42.46 42.46 3jx6 s ILE 330 CO 0.80 0.04 0.05 0.00 -1.91 0.00 0.00 174.94 173.92 3jx6 n MET 332 N 3.89 2.43 0.20 0.00 0.00 -1.26 -4.77 117.12 117.61 3jx6 n MET 332 Ca -0.16 -2.86 0.16 0.00 0.00 0.00 0.00 57.70 54.83 3jx6 n MET 332 Cb 0.52 -1.78 0.61 0.00 0.00 0.00 0.00 33.22 32.57 3jx6 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jx6 h GLY 333 N 1.34 0.00 -0.92 3.03 0.00 -1.93 0.71 103.07 105.30 3jx6 h GLY 333 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3jx6 h GLY 333 CO 0.21 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.61 3jx6 n SER 334 N -3.10 2.88 -4.70 0.19 3.41 -1.26 -4.84 113.62 106.20 3jx6 n SER 334 Ca 0.04 -2.36 -0.41 0.00 -0.26 0.00 0.00 58.87 55.88 3jx6 n SER 334 Cb 0.70 -0.28 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 3jx6 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx6 s ILE 335 N -1.65 4.96 0.07 -1.33 -1.09 0.24 -4.99 121.20 117.41 3jx6 s ILE 335 Ca 0.23 1.62 -0.22 0.00 -2.23 0.00 0.00 60.65 60.06 3jx6 s ILE 335 Cb 0.16 -4.13 -0.12 0.00 -1.58 0.00 0.00 42.46 36.79 3jx6 s ILE 335 CO 0.09 0.16 1.58 0.58 -1.23 0.00 0.00 174.94 176.12 3jx6 h VAL 336 N 4.91 1.18 -3.16 2.92 2.07 -1.92 -3.36 116.25 118.88 3jx6 h VAL 336 Ca -0.37 -0.54 -0.65 0.00 0.82 0.00 0.00 66.70 65.96 3jx6 h VAL 336 Cb 1.18 1.31 -0.40 0.00 -1.52 0.00 0.00 31.29 31.87 3jx6 h VAL 336 CO 0.78 0.16 -0.41 -0.76 0.02 0.00 0.00 177.57 177.36 3jx6 s LEU 337 N -9.77 5.07 0.19 2.57 1.43 -1.26 -5.13 118.68 111.79 3jx6 s LEU 337 Ca -0.14 -3.82 0.25 0.00 -1.03 0.00 0.00 54.13 49.40 3jx6 s LEU 337 Cb 0.06 -1.73 0.90 0.00 0.03 0.00 0.00 46.19 45.45 3jx6 s LEU 337 CO 0.69 -0.12 1.76 -2.65 0.23 0.00 0.00 176.35 176.26 3jx6 n PRO 338 N 2.09 0.20 -0.05 1.29 -0.02 -1.26 -5.18 135.00 132.07 3jx6 n PRO 338 Ca 0.20 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3jx6 n PRO 338 Cb 0.36 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3jx6 n PRO 338 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3jx6 n VAL 348 N -2.13 0.00 -2.43 -1.45 3.14 -1.26 -4.89 118.33 109.31 3jx6 n VAL 348 Ca 0.05 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.01 3jx6 n VAL 348 Cb 0.35 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.09 3jx6 n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3jx6 s ARG 349 N -0.57 4.46 0.50 1.45 0.52 -1.26 -5.04 118.95 119.01 3jx6 s ARG 349 Ca 0.00 1.78 -0.21 0.00 -0.52 0.00 0.00 55.73 56.77 3jx6 s ARG 349 Cb 0.00 -3.32 -0.07 0.00 0.52 0.00 0.00 34.95 32.08 3jx6 s ARG 349 CO 0.00 -0.19 1.13 0.99 0.02 0.00 0.00 175.30 177.25 3jx6 s THR 350 N 0.74 3.26 0.32 0.02 2.01 -1.26 -4.88 115.64 115.84 3jx6 s THR 350 Ca 0.57 0.85 0.07 0.00 0.31 0.00 0.00 61.69 63.49 3jx6 s THR 350 Cb -0.30 -3.38 0.38 0.00 0.01 0.00 0.00 72.50 69.21 3jx6 s THR 350 CO 0.31 -0.10 1.58 0.11 -0.69 0.00 0.00 174.62 175.83 3jx6 h LYS 351 N 1.64 0.04 -0.33 4.92 1.57 -1.93 0.02 116.57 122.49 3jx6 h LYS 351 Ca -0.50 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.33 3jx6 h LYS 351 Cb 1.25 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.47 3jx6 h LYS 351 CO 0.59 0.02 -0.50 0.22 -0.57 0.00 0.00 179.45 179.21 3jx6 h ASP 352 N 0.04 -1.65 0.41 0.86 3.58 -1.99 -2.43 116.42 115.25 3jx6 h ASP 352 Ca 0.66 0.22 0.00 0.00 0.42 0.00 0.00 57.03 58.33 3jx6 h ASP 352 Cb 1.47 0.68 0.00 0.00 1.72 0.00 0.00 39.33 43.21 3jx6 h ASP 352 CO -0.85 -0.41 -0.24 0.00 -2.88 0.00 0.00 179.24 174.86 3jx6 n GLN 353 N -5.41 0.50 -0.08 0.28 10.64 -0.37 -4.36 117.38 118.59 3jx6 n GLN 353 Ca -0.03 -0.24 -0.21 0.00 -1.83 0.00 0.00 57.00 54.69 3jx6 n GLN 353 Cb 0.36 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.12 3jx6 n GLN 353 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 3jx6 h LEU 354 N 0.59 0.08 -0.92 2.61 5.85 -0.55 -3.38 115.31 119.59 3jx6 h LEU 354 Ca 0.00 -0.65 0.09 0.00 0.84 0.00 0.00 57.88 58.15 3jx6 h LEU 354 Cb 0.45 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 3jx6 h LEU 354 CO 0.00 1.47 0.57 0.15 -0.34 0.00 0.00 178.44 180.28 3jx6 h PHE 355 N -0.83 1.04 -0.72 1.25 3.57 -1.73 0.05 116.94 119.56 3jx6 h PHE 355 Ca -0.30 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.35 3jx6 h PHE 355 Cb 1.37 -0.33 -0.09 0.00 2.79 0.00 0.00 35.95 39.70 3jx6 h PHE 355 CO 0.13 0.47 0.30 -1.35 -2.23 0.00 0.00 178.31 175.63 3jx6 h PRO 356 N 0.97 0.45 -0.48 6.41 0.10 -1.82 0.26 132.00 137.90 3jx6 h PRO 356 Ca 0.43 -0.03 -0.12 0.00 0.10 0.00 0.00 66.00 66.38 3jx6 h PRO 356 Cb 0.30 -0.10 -0.02 0.00 0.10 0.00 0.00 31.00 31.28 3jx6 h PRO 356 CO -0.22 0.30 -0.18 -0.07 0.10 0.00 0.00 178.00 177.94 3jx6 h LEU 357 N 0.47 0.96 0.45 2.35 3.38 -1.24 0.20 115.31 121.88 3jx6 h LEU 357 Ca 0.38 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3jx6 h LEU 357 Cb 0.53 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3jx6 h LEU 357 CO -0.36 1.12 -0.23 0.00 0.09 0.00 0.00 178.44 179.06 3jx6 h ALA 358 N 0.96 -0.62 -0.44 1.53 0.00 -0.59 -2.46 119.26 117.63 3jx6 h ALA 358 Ca 0.12 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3jx6 h ALA 358 Cb 0.74 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 3jx6 h ALA 358 CO 0.06 -0.85 -0.16 -0.22 0.00 0.00 0.00 179.25 178.08 3jx6 h LYS 359 N -0.62 -0.06 0.05 0.00 3.64 -0.25 0.33 116.57 119.66 3jx6 h LYS 359 Ca -0.06 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3jx6 h LYS 359 Cb 0.49 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 3jx6 h LYS 359 CO 0.09 -0.04 -0.33 0.93 -2.27 0.00 0.00 179.45 177.84 3jx6 h GLU 360 N -0.06 -0.49 -0.15 1.90 5.08 -0.57 0.12 114.58 120.40 3jx6 h GLU 360 Ca 0.21 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.64 3jx6 h GLU 360 Cb 0.39 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3jx6 h GLU 360 CO -0.49 -0.33 -0.04 0.35 -1.00 0.00 0.00 179.01 177.50 3jx6 h PHE 361 N -0.51 -0.09 -0.81 4.33 3.57 -1.01 -1.38 116.94 121.04 3jx6 h PHE 361 Ca 0.05 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3jx6 h PHE 361 Cb 0.57 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 3jx6 h PHE 361 CO -0.33 -0.07 0.54 -0.07 -2.23 0.00 0.00 178.31 176.15 3jx6 h LEU 362 N -0.01 0.93 -0.28 0.59 3.38 -0.75 0.17 115.31 119.35 3jx6 h LEU 362 Ca 0.07 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3jx6 h LEU 362 Cb 0.12 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3jx6 h LEU 362 CO -0.16 0.67 -0.10 0.44 0.09 0.00 0.00 178.44 179.39 3jx6 h ASP 363 N 1.10 -0.34 -0.02 -0.43 3.45 -0.42 -0.30 116.42 119.46 3jx6 h ASP 363 Ca 0.30 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3jx6 h ASP 363 Cb -0.13 0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 38.84 3jx6 h ASP 363 CO -0.06 -0.13 -0.01 1.56 -1.57 0.00 0.00 179.24 179.03 3jx6 h GLN 364 N -0.04 -0.00 -0.16 3.56 4.20 -0.67 0.11 115.11 122.10 3jx6 h GLN 364 Ca 0.14 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.88 3jx6 h GLN 364 Cb 0.25 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3jx6 h GLN 364 CO -0.31 -0.00 -0.05 -0.92 -0.67 0.00 0.00 178.83 176.88 3jx6 h TYR 365 N -0.00 -0.11 -0.14 2.96 3.20 -0.44 0.10 116.97 122.54 3jx6 h TYR 365 Ca 0.01 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 3jx6 h TYR 365 Cb 0.02 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3jx6 h TYR 365 CO -0.09 -0.08 -0.42 1.88 -1.64 0.00 0.00 178.16 177.80 3jx6 h TYR 366 N -0.02 0.37 -0.74 -3.82 -1.99 -0.93 -2.42 116.97 107.43 3jx6 h TYR 366 Ca 0.08 -0.11 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 3jx6 h TYR 366 Cb 0.14 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 3jx6 h TYR 366 CO -0.20 0.69 0.34 1.03 -0.00 0.00 0.00 178.16 180.02 3jx6 h SER 367 N 0.26 0.98 -0.32 3.88 0.87 -0.69 0.35 113.55 118.88 3jx6 h SER 367 Ca 0.02 -0.15 -0.09 0.00 -1.23 0.00 0.00 61.79 60.35 3jx6 h SER 367 Cb 0.86 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3jx6 h SER 367 CO 0.07 0.85 -0.10 0.77 -0.53 0.00 0.00 176.83 177.89 3jx6 h SER 368 N 1.04 0.73 -0.11 6.23 4.64 -0.51 -2.02 113.55 123.56 3jx6 h SER 368 Ca 0.25 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3jx6 h SER 368 Cb 0.15 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3jx6 h SER 368 CO -0.03 0.86 0.00 2.30 -0.87 0.00 0.00 176.83 179.09 3jx6 n ILE 369 N -4.17 0.19 -3.55 0.95 -5.35 -0.99 -4.91 119.36 101.53 3jx6 n ILE 369 Ca 0.01 -0.16 -0.23 0.00 -0.27 0.00 0.00 62.75 62.11 3jx6 n ILE 369 Cb 0.35 -0.02 0.08 0.00 -1.74 0.00 0.00 39.64 38.32 3jx6 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx6 n LYS 370 N -0.13 -7.61 -0.46 6.28 4.76 -0.76 -4.92 118.16 115.32 3jx6 n LYS 370 Ca 0.04 0.81 0.05 0.00 -2.87 0.00 0.00 58.31 56.33 3jx6 n LYS 370 Cb 0.14 -5.78 0.08 0.00 -1.84 0.00 0.00 35.03 27.64 3jx6 n LYS 370 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3jx6 n ARG 371 N -4.79 0.70 -1.85 1.97 5.12 0.12 -5.02 116.66 112.91 3jx6 n ARG 371 Ca -0.02 -2.03 -0.42 0.00 -1.93 0.00 0.00 57.85 53.45 3jx6 n ARG 371 Cb 0.57 -0.97 -0.03 0.00 -1.16 0.00 0.00 32.46 30.86 3jx6 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3jx6 s PHE 372 N -1.54 2.72 0.00 -1.55 5.36 -1.02 -1.91 117.98 120.03 3jx6 s PHE 372 Ca 0.21 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.57 3jx6 s PHE 372 Cb 0.20 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 3jx6 s PHE 372 CO -0.02 -3.96 0.00 0.41 -1.46 0.00 0.00 175.22 170.19 3jx6 n GLY 373 N 3.94 0.67 3.72 13.12 0.00 -1.26 -5.01 105.19 120.37 3jx6 n GLY 373 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3jx6 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx6 s SER 374 N -2.44 3.58 0.23 1.61 1.04 -0.80 -4.80 113.70 112.11 3jx6 s SER 374 Ca 0.00 1.59 -0.07 0.00 0.48 0.00 0.00 55.95 57.95 3jx6 s SER 374 Cb 0.00 -2.26 0.39 0.00 0.10 0.00 0.00 66.02 64.25 3jx6 s SER 374 CO 0.00 -2.59 1.70 0.50 0.98 0.00 0.00 173.24 173.83 3jx6 h LYS 375 N -1.51 0.28 -0.26 4.02 3.64 -1.95 -0.50 116.57 120.29 3jx6 h LYS 375 Ca -0.48 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 3jx6 h LYS 375 Cb 1.27 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3jx6 h LYS 375 CO 0.53 0.19 0.03 0.00 -2.27 0.00 0.00 179.45 177.93 3jx6 h ALA 376 N 1.55 1.57 0.07 5.00 0.00 -1.91 0.24 119.26 125.78 3jx6 h ALA 376 Ca 0.37 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3jx6 h ALA 376 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3jx6 h ALA 376 CO -0.45 0.32 -0.03 1.25 0.00 0.00 0.00 179.25 180.33 3jx6 h HIS 377 N 0.37 -0.09 -0.42 0.00 -0.00 -1.53 -2.61 115.15 110.88 3jx6 h HIS 377 Ca 0.09 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.45 3jx6 h HIS 377 Cb 0.20 0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.62 3jx6 h HIS 377 CO 0.01 0.29 0.22 0.52 -0.00 0.00 0.00 177.93 178.97 3jx6 h MET 378 N -0.48 0.59 -0.45 5.26 2.07 -0.55 -1.83 114.93 119.54 3jx6 h MET 378 Ca -0.01 -0.07 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 3jx6 h MET 378 Cb 0.41 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 30.01 3jx6 h MET 378 CO 0.02 0.48 0.29 -0.44 1.07 0.00 0.00 176.91 178.33 3jx6 h ASP 379 N 0.54 0.53 -0.10 1.22 3.32 -0.63 -0.47 116.42 120.82 3jx6 h ASP 379 Ca 0.15 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3jx6 h ASP 379 Cb 0.07 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3jx6 h ASP 379 CO -0.02 0.39 -0.22 -0.09 -1.72 0.00 0.00 179.24 177.58 3jx6 h ARG 380 N 0.62 0.33 -0.12 3.56 9.65 -1.18 -0.42 114.38 126.82 3jx6 h ARG 380 Ca 0.17 -0.22 0.04 0.00 -1.10 0.00 0.00 59.98 58.87 3jx6 h ARG 380 Cb -0.05 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.51 3jx6 h ARG 380 CO -0.03 0.82 -0.23 -0.07 2.80 0.00 0.00 179.97 183.26 3jx6 h LEU 381 N -0.12 -0.70 -0.75 3.80 3.38 -1.05 0.45 115.31 120.32 3jx6 h LEU 381 Ca 0.00 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.15 3jx6 h LEU 381 Cb 0.81 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 3jx6 h LEU 381 CO 0.05 -0.28 0.43 -0.08 0.09 0.00 0.00 178.44 178.65 3jx6 h GLU 382 N -0.29 0.75 -0.08 1.13 4.57 -1.09 -0.60 114.58 118.96 3jx6 h GLU 382 Ca 0.10 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3jx6 h GLU 382 Cb 0.44 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3jx6 h GLU 382 CO -0.29 0.50 0.03 1.49 -1.18 0.00 0.00 179.01 179.55 3jx6 h GLU 383 N 0.77 0.12 -0.61 1.92 4.81 -0.25 -1.98 114.58 119.37 3jx6 h GLU 383 Ca 0.34 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.55 3jx6 h GLU 383 Cb 0.22 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3jx6 h GLU 383 CO -0.20 0.27 0.40 0.28 -0.73 0.00 0.00 179.01 179.03 3jx6 h VAL 384 N -0.04 1.15 -0.75 0.32 2.07 -0.79 -2.17 116.25 116.03 3jx6 h VAL 384 Ca 0.03 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 67.37 3jx6 h VAL 384 Cb 0.19 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 3jx6 h VAL 384 CO -0.00 0.15 0.39 -1.13 0.02 0.00 0.00 177.57 176.99 3jx6 h ASN 385 N 0.82 0.51 0.62 0.57 -0.00 -0.94 -0.40 115.58 116.74 3jx6 h ASN 385 Ca 0.23 0.06 -0.16 0.00 -0.00 0.00 0.00 56.30 56.43 3jx6 h ASN 385 Cb -0.08 -0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 38.20 3jx6 h ASN 385 CO -0.06 0.28 -0.71 0.11 -0.00 0.00 0.00 177.43 177.05 3jx6 h LYS 386 N 0.64 0.08 -0.12 6.67 1.57 -1.01 -1.44 116.57 122.96 3jx6 h LYS 386 Ca 0.38 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 3jx6 h LYS 386 Cb 0.41 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3jx6 h LYS 386 CO -0.28 0.76 -0.31 1.49 -0.57 0.00 0.00 179.45 180.54 3jx6 h GLU 387 N 0.05 0.42 -0.87 3.15 4.81 -0.92 -1.05 114.58 120.18 3jx6 h GLU 387 Ca -0.01 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 58.96 3jx6 h GLU 387 Cb 1.26 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 3jx6 h GLU 387 CO 0.10 0.90 0.57 0.82 -0.73 0.00 0.00 179.01 180.68 3jx6 h ILE 388 N 0.01 1.16 0.76 2.32 2.04 -0.73 0.10 117.51 123.16 3jx6 h ILE 388 Ca -0.00 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3jx6 h ILE 388 Cb 0.91 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3jx6 h ILE 388 CO 0.07 0.20 -0.42 -0.08 0.00 0.00 0.00 178.15 177.91 3jx6 h GLU 389 N 1.10 -1.05 0.07 2.37 4.57 -0.73 0.24 114.58 121.14 3jx6 h GLU 389 Ca 0.34 0.07 -0.24 0.00 -1.18 0.00 0.00 59.36 58.35 3jx6 h GLU 389 Cb 0.00 0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3jx6 h GLU 389 CO -0.10 -0.70 -1.09 0.66 -1.18 0.00 0.00 179.01 176.60 3jx6 h SER 390 N -1.09 0.36 -0.00 1.04 4.64 -1.13 -3.37 113.55 113.99 3jx6 h SER 390 Ca -0.10 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3jx6 h SER 390 Cb 0.86 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3jx6 h SER 390 CO 0.13 1.23 -0.44 0.35 -0.87 0.00 0.00 176.83 177.23 3jx6 n THR 391 N -3.57 0.00 -0.98 2.95 -2.24 0.35 -5.01 114.28 105.78 3jx6 n THR 391 Ca -0.06 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3jx6 n THR 391 Cb 0.94 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 70.20 3jx6 n THR 391 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3jx6 n SER 392 N -1.02 -0.56 -1.33 3.42 2.88 0.07 -4.93 113.62 112.14 3jx6 n SER 392 Ca 0.03 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.54 3jx6 n SER 392 Cb 0.18 -0.22 -0.01 0.00 -0.75 0.00 0.00 64.21 63.42 3jx6 n SER 392 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3jx6 n THR 393 N -2.17 0.00 -3.68 2.46 5.66 -1.26 -4.70 114.28 110.59 3jx6 n THR 393 Ca 0.00 -0.30 -0.10 0.00 -3.05 0.00 0.00 64.05 60.60 3jx6 n THR 393 Cb 0.00 0.18 -0.05 0.00 -1.55 0.00 0.00 70.33 68.92 3jx6 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx6 s TYR 394 N -4.56 -0.14 -0.19 1.09 -0.85 -1.26 -2.42 117.35 109.01 3jx6 s TYR 394 Ca 0.05 -0.18 -0.07 0.00 -0.52 0.00 0.00 57.07 56.35 3jx6 s TYR 394 Cb -0.00 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 3jx6 s TYR 394 CO 0.04 -0.75 0.05 -0.65 -1.52 0.00 0.00 175.55 172.71 3jx6 s GLN 395 N -3.83 3.86 0.31 -3.49 -1.52 -1.26 -5.04 119.66 108.69 3jx6 s GLN 395 Ca 0.05 -0.40 -0.29 0.00 -1.95 0.00 0.00 55.36 52.77 3jx6 s GLN 395 Cb 0.01 -3.18 -0.10 0.00 -0.22 0.00 0.00 33.01 29.53 3jx6 s GLN 395 CO -0.09 0.18 1.18 -0.51 -0.25 0.00 0.00 175.29 175.80 3jx6 s LEU 396 N 0.59 4.47 0.79 2.90 1.43 -1.26 -5.05 118.68 122.56 3jx6 s LEU 396 Ca 0.02 2.43 -0.12 0.00 -1.03 0.00 0.00 54.13 55.42 3jx6 s LEU 396 Cb -0.13 -3.68 0.08 0.00 0.03 0.00 0.00 46.19 42.49 3jx6 s LEU 396 CO 0.02 -0.33 1.15 -0.54 0.23 0.00 0.00 176.35 176.88 3jx6 s LYS 397 N -1.66 1.84 0.19 1.70 -0.14 -1.26 -4.85 119.74 115.56 3jx6 s LYS 397 Ca 0.47 1.54 -0.12 0.00 -1.36 0.00 0.00 55.97 56.50 3jx6 s LYS 397 Cb -0.35 -1.82 0.20 0.00 -1.68 0.00 0.00 37.83 34.19 3jx6 s LYS 397 CO 0.45 -2.01 1.72 -0.44 -0.76 0.00 0.00 175.35 174.30 3jx6 h ASP 398 N -0.96 0.01 -0.95 2.83 3.32 -1.99 -1.30 116.42 117.37 3jx6 h ASP 398 Ca -0.45 0.09 0.06 0.00 0.02 0.00 0.00 57.03 56.75 3jx6 h ASP 398 Cb 1.27 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.88 3jx6 h ASP 398 CO 0.48 0.03 0.62 0.71 -1.72 0.00 0.00 179.24 179.35 3jx6 h THR 399 N 0.24 1.09 -0.05 0.35 1.35 -2.00 -0.70 112.91 113.20 3jx6 h THR 399 Ca 0.26 -0.38 -0.20 0.00 -0.55 0.00 0.00 66.41 65.54 3jx6 h THR 399 Cb 0.35 -0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 66.64 3jx6 h THR 399 CO -0.33 0.20 -0.80 -0.33 -0.25 0.00 0.00 175.52 174.01 3jx6 h GLU 400 N 1.11 0.38 -0.02 4.72 5.08 -1.73 -1.89 114.58 122.24 3jx6 h GLU 400 Ca 0.40 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3jx6 h GLU 400 Cb 0.15 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3jx6 h GLU 400 CO -0.15 1.00 -0.00 1.25 -1.00 0.00 0.00 179.01 180.11 3jx6 h LEU 401 N 0.25 0.03 -0.14 1.33 5.85 -0.63 0.23 115.31 122.22 3jx6 h LEU 401 Ca -0.04 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.40 3jx6 h LEU 401 Cb 1.39 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.35 3jx6 h LEU 401 CO 0.14 0.35 -0.31 0.40 -0.34 0.00 0.00 178.44 178.67 3jx6 h ILE 402 N -0.29 0.29 -0.67 4.05 2.04 -1.14 0.15 117.51 121.95 3jx6 h ILE 402 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3jx6 h ILE 402 Cb 0.34 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3jx6 h ILE 402 CO 0.00 0.00 0.44 0.22 0.00 0.00 0.00 178.15 178.81 3jx6 h TYR 403 N -0.38 0.85 0.01 1.37 3.20 -1.31 -1.77 116.97 118.93 3jx6 h TYR 403 Ca 0.10 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3jx6 h TYR 403 Cb 0.54 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 3jx6 h TYR 403 CO -0.40 0.53 -0.34 0.78 -1.64 0.00 0.00 178.16 177.09 3jx6 h GLY 404 N 0.91 -0.59 1.01 1.82 0.00 0.14 -1.97 103.07 104.40 3jx6 h GLY 404 Ca 0.25 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.96 3jx6 h GLY 404 CO -0.05 -0.24 0.31 0.00 0.00 0.00 0.00 176.54 176.56 3jx6 h ALA 405 N 0.18 0.86 -0.79 3.60 0.00 -0.33 -0.39 119.26 122.39 3jx6 h ALA 405 Ca 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3jx6 h ALA 405 Cb 0.58 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3jx6 h ALA 405 CO -0.27 0.44 0.42 0.87 0.00 0.00 0.00 179.25 180.71 3jx6 h LYS 406 N 0.93 1.10 -0.16 0.00 1.57 -1.30 -2.48 116.57 116.23 3jx6 h LYS 406 Ca 0.23 -0.13 -0.21 0.00 -1.87 0.00 0.00 60.65 58.67 3jx6 h LYS 406 Cb 0.14 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.24 3jx6 h LYS 406 CO -0.03 0.82 -0.74 0.45 -0.57 0.00 0.00 179.45 179.38 3jx6 h HIS 407 N 1.11 0.99 -0.97 -1.35 3.86 -0.57 0.43 115.15 118.64 3jx6 h HIS 407 Ca 0.28 -0.43 0.17 0.00 -1.16 0.00 0.00 60.37 59.23 3jx6 h HIS 407 Cb 0.04 -0.16 -0.09 0.00 1.06 0.00 0.00 27.41 28.27 3jx6 h HIS 407 CO 0.01 1.24 0.61 0.00 0.86 0.00 0.00 177.93 180.65 3jx6 h ALA 408 N 0.64 1.77 0.49 2.45 0.00 -0.88 0.52 119.26 124.25 3jx6 h ALA 408 Ca -0.04 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3jx6 h ALA 408 Cb 1.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3jx6 h ALA 408 CO 0.15 -0.07 -0.24 2.35 0.00 0.00 0.00 179.25 181.44 3jx6 h TRP 409 N 0.74 -0.61 -1.42 0.00 7.01 -1.05 -2.13 115.95 118.49 3jx6 h TRP 409 Ca 0.52 -0.01 0.45 0.00 2.11 0.00 0.00 58.89 61.95 3jx6 h TRP 409 Cb 0.82 0.20 -0.11 0.00 -2.10 0.00 0.00 29.16 27.97 3jx6 h TRP 409 CO -0.00 -0.38 0.95 -0.09 -2.79 0.00 0.00 178.44 176.12 3jx6 h ARG 410 N -1.13 0.07 0.00 2.65 2.43 -0.32 0.35 114.38 118.42 3jx6 h ARG 410 Ca -0.07 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3jx6 h ARG 410 Cb 0.51 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3jx6 h ARG 410 CO 0.11 0.05 -0.37 0.09 -1.51 0.00 0.00 179.97 178.33 3jx6 n ASN 411 N -4.52 0.42 -4.55 -3.80 3.02 0.18 -4.84 115.26 101.15 3jx6 n ASN 411 Ca 0.37 0.03 -0.32 0.00 -0.03 0.00 0.00 54.58 54.63 3jx6 n ASN 411 Cb 1.51 0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 40.65 3jx6 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx6 s ALA 412 N -3.03 1.83 -0.01 5.41 0.00 0.12 -4.72 121.76 121.36 3jx6 s ALA 412 Ca 0.11 -0.91 0.30 0.00 0.00 0.00 0.00 51.96 51.47 3jx6 s ALA 412 Cb 0.17 -4.42 1.45 0.00 0.00 0.00 0.00 23.12 20.32 3jx6 s ALA 412 CO 0.66 -4.43 1.91 0.66 0.00 0.00 0.00 175.76 174.56 3jx6 h SER 413 N 13.93 0.00 -0.07 0.00 4.64 -1.87 -1.74 113.55 128.45 3jx6 h SER 413 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3jx6 h SER 413 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3jx6 h SER 413 CO 1.19 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.69 3jx6 n ARG 414 N -2.64 1.77 -3.56 4.77 1.74 -1.26 -0.68 116.66 116.80 3jx6 n ARG 414 Ca -0.00 -1.14 -0.39 0.00 -0.77 0.00 0.00 57.85 55.55 3jx6 n ARG 414 Cb 0.16 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 30.04 3jx6 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx6 h VAL 416 N 5.46 0.00 -0.30 0.00 3.04 -1.89 -3.31 116.25 119.25 3jx6 h VAL 416 Ca -0.33 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.76 3jx6 h VAL 416 Cb 1.17 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 3jx6 h VAL 416 CO 0.60 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.77 3jx6 n GLY 417 N 1.18 1.43 0.08 3.17 0.00 -1.26 -4.45 105.19 105.34 3jx6 n GLY 417 Ca 0.05 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.78 3jx6 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx6 n ARG 418 N 0.39 0.13 0.25 1.61 1.74 -1.25 -2.49 116.66 117.05 3jx6 n ARG 418 Ca 0.12 0.31 0.10 0.00 -0.77 0.00 0.00 57.85 57.61 3jx6 n ARG 418 Cb 0.50 -1.73 0.52 0.00 -1.02 0.00 0.00 32.46 30.73 3jx6 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx6 h ILE 419 N 0.00 0.00 -0.02 0.55 2.10 -1.88 0.39 117.51 118.64 3jx6 h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jx6 h ILE 419 Cb 0.39 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 3jx6 h ILE 419 CO 0.00 0.00 -0.25 0.00 -1.08 0.00 0.00 178.15 176.82 3jx6 n GLN 420 N -2.45 1.66 -0.35 2.19 1.13 -1.04 -4.62 117.38 113.91 3jx6 n GLN 420 Ca -0.01 -1.34 0.27 0.00 -1.94 0.00 0.00 57.00 53.98 3jx6 n GLN 420 Cb 0.42 -1.47 0.52 0.00 0.11 0.00 0.00 30.24 29.81 3jx6 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx6 h TRP 421 N 3.26 0.81 0.00 1.08 5.08 -1.12 -0.29 115.95 124.77 3jx6 h TRP 421 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3jx6 h TRP 421 Cb 0.82 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 26.77 3jx6 h TRP 421 CO 0.00 -0.16 0.00 -1.13 -1.28 0.00 0.00 178.44 175.87 3jx6 n SER 422 N -4.92 0.00 -1.58 0.11 3.41 -1.26 -3.88 113.62 105.50 3jx6 n SER 422 Ca 0.32 0.24 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 3jx6 n SER 422 Cb 1.07 -0.40 0.36 0.00 -0.26 0.00 0.00 64.21 64.98 3jx6 n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jx6 n LYS 423 N -1.40 3.66 -2.37 4.33 5.02 -0.12 -4.99 118.16 122.30 3jx6 n LYS 423 Ca 0.09 -2.89 -0.42 0.00 -2.02 0.00 0.00 58.31 53.07 3jx6 n LYS 423 Cb 0.25 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 3jx6 n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3jx6 s LEU 424 N -1.76 4.33 -0.12 -0.35 2.96 -1.25 -4.78 118.68 117.71 3jx6 s LEU 424 Ca 0.52 2.01 -0.29 0.00 -0.22 0.00 0.00 54.13 56.14 3jx6 s LEU 424 Cb 0.33 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.44 3jx6 s LEU 424 CO 0.26 -0.57 1.00 -1.58 -1.32 0.00 0.00 176.35 174.14 3jx6 s GLN 425 N 1.69 4.41 -0.20 1.98 2.00 -0.81 -4.96 119.66 123.76 3jx6 s GLN 425 Ca 0.60 1.38 -0.06 0.00 -2.00 0.00 0.00 55.36 55.28 3jx6 s GLN 425 Cb -0.29 -3.55 -0.03 0.00 0.80 0.00 0.00 33.01 29.94 3jx6 s GLN 425 CO 0.27 -0.34 0.02 0.08 -0.50 0.00 0.00 175.29 174.82 3jx6 s VAL 426 N 2.09 4.16 -0.27 1.34 1.01 -1.26 -0.30 120.40 127.17 3jx6 s VAL 426 Ca 0.48 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 3jx6 s VAL 426 Cb -0.18 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3jx6 s VAL 426 CO 0.17 0.43 0.08 -0.36 0.00 0.00 0.00 175.10 175.42 3jx6 s PHE 427 N 0.92 3.11 -0.46 5.22 0.08 0.33 -4.95 117.98 122.22 3jx6 s PHE 427 Ca 0.02 -0.54 -0.24 0.00 0.12 0.00 0.00 56.93 56.29 3jx6 s PHE 427 Cb -0.14 -2.26 0.03 0.00 -0.57 0.00 0.00 43.02 40.08 3jx6 s PHE 427 CO 0.02 -0.41 0.82 0.34 -0.10 0.00 0.00 175.22 175.89 3jx6 s ASP 428 N 1.60 6.42 -0.28 1.36 3.68 -1.26 -1.01 116.67 127.18 3jx6 s ASP 428 Ca 0.06 -0.09 0.09 0.00 2.13 0.00 0.00 52.55 54.73 3jx6 s ASP 428 Cb -0.16 -2.40 0.46 0.00 -1.45 0.00 0.00 42.92 39.37 3jx6 s ASP 428 CO 0.04 -0.96 1.32 0.00 0.13 0.00 0.00 175.17 175.70 3jx6 n ALA 429 N 6.85 4.34 0.43 3.66 0.00 0.55 -4.71 120.51 131.63 3jx6 n ALA 429 Ca 0.03 -3.40 0.09 0.00 0.00 0.00 0.00 53.44 50.16 3jx6 n ALA 429 Cb 0.48 -0.52 0.37 0.00 0.00 0.00 0.00 19.45 19.78 3jx6 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jx6 n ARG 430 N -1.01 0.07 0.00 0.00 1.74 -1.15 -1.99 116.66 114.33 3jx6 n ARG 430 Ca 0.32 0.33 0.14 0.00 -0.77 0.00 0.00 57.85 57.87 3jx6 n ARG 430 Cb 0.86 -1.64 0.59 0.00 -1.02 0.00 0.00 32.46 31.25 3jx6 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jx6 n ASP 431 N -1.78 0.57 -4.77 0.55 5.68 -1.26 -4.56 116.55 110.98 3jx6 n ASP 431 Ca 0.03 -0.67 -0.41 0.00 -0.50 0.00 0.00 54.79 53.24 3jx6 n ASP 431 Cb 0.18 -0.04 -0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3jx6 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jx6 n THR 433 N 0.75 0.00 -4.26 0.00 -2.24 -1.26 -4.78 114.28 102.48 3jx6 n THR 433 Ca 0.02 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.60 3jx6 n THR 433 Cb 0.39 0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 68.94 3jx6 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx6 s THR 434 N -0.98 0.89 0.22 4.28 -4.23 -1.26 -4.68 115.64 109.87 3jx6 s THR 434 Ca 0.00 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.42 3jx6 s THR 434 Cb 0.00 -2.08 0.18 0.00 1.34 0.00 0.00 72.50 71.94 3jx6 s THR 434 CO 0.00 -0.53 1.82 0.00 -0.54 0.00 0.00 174.62 175.37 3jx6 h ALA 435 N 2.68 1.07 -0.49 3.99 0.00 -1.90 0.23 119.26 124.84 3jx6 h ALA 435 Ca -0.37 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.46 3jx6 h ALA 435 Cb 1.20 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3jx6 h ALA 435 CO 0.63 0.61 0.16 0.45 0.00 0.00 0.00 179.25 181.11 3jx6 h HIS 436 N 1.17 0.28 -0.60 0.00 3.86 -1.97 -0.08 115.15 117.82 3jx6 h HIS 436 Ca 0.29 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.59 3jx6 h HIS 436 Cb 0.08 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 3jx6 h HIS 436 CO 0.01 0.08 0.29 0.78 0.86 0.00 0.00 177.93 179.95 3jx6 h GLY 437 N 0.33 0.86 0.98 2.45 0.00 -1.49 -2.14 103.07 104.06 3jx6 h GLY 437 Ca 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3jx6 h GLY 437 CO -0.26 0.08 0.23 -0.33 0.00 0.00 0.00 176.54 176.26 3jx6 h MET 438 N 0.53 0.51 -0.87 4.80 0.00 0.12 -2.40 114.93 117.62 3jx6 h MET 438 Ca 0.28 -0.04 0.11 0.00 0.00 0.00 0.00 59.70 60.05 3jx6 h MET 438 Cb 0.25 -0.11 -0.08 0.00 0.00 0.00 0.00 31.60 31.66 3jx6 h MET 438 CO -0.22 0.37 0.51 0.35 0.00 0.00 0.00 176.91 177.92 3jx6 h PHE 439 N 0.49 0.91 -0.34 -0.22 -0.00 -0.44 0.79 116.94 118.13 3jx6 h PHE 439 Ca 0.13 0.03 -0.05 0.00 -0.00 0.00 0.00 57.97 58.09 3jx6 h PHE 439 Cb -0.00 -0.28 -0.01 0.00 -0.00 0.00 0.00 35.95 35.66 3jx6 h PHE 439 CO -0.04 0.34 0.03 -0.97 -0.00 0.00 0.00 178.31 177.67 3jx6 h ASN 440 N 0.81 0.56 -0.68 0.41 -1.24 -1.05 -1.21 115.58 113.18 3jx6 h ASN 440 Ca 0.44 -0.28 0.03 0.00 0.71 0.00 0.00 56.30 57.20 3jx6 h ASN 440 Cb 0.46 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.32 3jx6 h ASN 440 CO -0.28 0.70 0.42 1.88 -1.29 0.00 0.00 177.43 178.87 3jx6 h TYR 441 N 0.40 0.79 -0.48 0.67 -1.99 -0.75 -1.70 116.97 113.91 3jx6 h TYR 441 Ca 0.10 0.02 -0.11 0.00 2.00 0.00 0.00 58.73 60.74 3jx6 h TYR 441 Cb 0.39 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 3jx6 h TYR 441 CO 0.03 0.45 -0.14 0.82 -0.00 0.00 0.00 178.16 179.31 3jx6 h ILE 442 N 0.82 1.27 -0.18 -2.88 2.04 -0.70 -1.21 117.51 116.68 3jx6 h ILE 442 Ca 0.27 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 3jx6 h ILE 442 Cb 0.03 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3jx6 h ILE 442 CO -0.11 0.44 0.10 0.00 0.00 0.00 0.00 178.15 178.58 3jx6 h ASN 444 N 0.19 0.02 -0.04 0.00 2.35 -0.97 -0.42 115.58 116.71 3jx6 h ASN 444 Ca 0.06 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 3jx6 h ASN 444 Cb 0.07 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3jx6 h ASN 444 CO -0.01 0.07 -0.24 -0.74 -1.65 0.00 0.00 177.43 174.87 3jx6 h HIS 445 N 0.02 0.32 -0.64 1.19 -0.00 -0.68 -1.14 115.15 114.21 3jx6 h HIS 445 Ca 0.00 -0.14 0.05 0.00 -0.00 0.00 0.00 60.37 60.28 3jx6 h HIS 445 Cb 0.10 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.41 3jx6 h HIS 445 CO 0.00 0.87 0.37 0.28 -0.00 0.00 0.00 177.93 179.45 3jx6 h VAL 446 N -0.32 1.01 -0.19 5.26 2.07 0.22 0.39 116.25 124.69 3jx6 h VAL 446 Ca -0.02 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3jx6 h VAL 446 Cb 0.90 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3jx6 h VAL 446 CO 0.05 0.13 -0.12 0.50 0.02 0.00 0.00 177.57 178.14 3jx6 h LYS 447 N 0.71 0.42 -0.13 1.57 3.64 -1.10 -1.41 116.57 120.27 3jx6 h LYS 447 Ca 0.28 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3jx6 h LYS 447 Cb 0.12 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3jx6 h LYS 447 CO -0.15 0.74 0.08 -0.92 -2.27 0.00 0.00 179.45 176.93 3jx6 h TYR 448 N 0.10 0.16 -0.63 1.91 3.20 -1.05 -1.85 116.97 118.82 3jx6 h TYR 448 Ca 0.04 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 3jx6 h TYR 448 Cb 0.63 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 3jx6 h TYR 448 CO 0.07 0.12 0.13 0.00 -1.64 0.00 0.00 178.16 176.85 3jx6 h ALA 449 N 1.03 0.84 -0.13 1.82 0.00 -0.92 -3.08 119.26 118.80 3jx6 h ALA 449 Ca 0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3jx6 h ALA 449 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3jx6 h ALA 449 CO -0.01 0.57 0.01 1.15 0.00 0.00 0.00 179.25 180.97 3jx6 h THR 450 N 0.94 1.24 -6.54 0.00 2.02 -1.23 0.75 112.91 110.09 3jx6 h THR 450 Ca 0.20 -0.78 -0.51 0.00 0.77 0.00 0.00 66.41 66.08 3jx6 h THR 450 Cb 0.39 1.51 -0.07 0.00 -1.74 0.00 0.00 68.15 68.24 3jx6 h THR 450 CO 0.01 0.23 -0.89 -3.20 0.37 0.00 0.00 175.52 172.03 3jx6 n ASN 451 N -4.79 -0.23 -2.10 4.18 5.15 -0.70 -0.86 115.26 115.91 3jx6 n ASN 451 Ca -0.06 -1.03 -0.13 0.00 -0.60 0.00 0.00 54.58 52.77 3jx6 n ASN 451 Cb 0.20 -2.94 -0.02 0.00 -0.53 0.00 0.00 39.78 36.48 3jx6 n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jx6 n LYS 452 N -4.41 -1.90 0.00 1.20 5.02 -1.26 -1.80 118.16 115.00 3jx6 n LYS 452 Ca -0.31 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 3jx6 n LYS 452 Cb 0.69 -5.16 0.00 0.00 -0.02 0.00 0.00 35.03 30.54 3jx6 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx6 n GLY 453 N -0.63 2.59 3.49 0.72 0.00 -0.04 -4.94 105.19 106.37 3jx6 n GLY 453 Ca -0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 3jx6 n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jx6 s ASN 454 N -0.86 6.90 0.40 1.61 3.04 -0.75 -1.21 114.94 124.07 3jx6 s ASN 454 Ca 0.00 -2.60 -0.26 0.00 0.04 0.00 0.00 52.86 50.04 3jx6 s ASN 454 Cb 0.00 -2.45 -0.08 0.00 -1.54 0.00 0.00 41.25 37.18 3jx6 s ASN 454 CO 0.00 -0.94 1.22 -0.76 -3.04 0.00 0.00 177.10 173.58 3jx6 s LEU 455 N 2.53 4.21 -0.04 3.21 1.02 -1.25 -4.54 118.68 123.82 3jx6 s LEU 455 Ca 0.43 2.46 0.04 0.00 0.02 0.00 0.00 54.13 57.08 3jx6 s LEU 455 Cb -0.02 -3.97 0.00 0.00 0.02 0.00 0.00 46.19 42.23 3jx6 s LEU 455 CO -0.01 -0.73 -0.15 -0.13 0.02 0.00 0.00 176.35 175.35 3jx6 s ARG 456 N -2.25 1.60 0.26 1.70 0.52 0.26 -4.99 118.95 116.05 3jx6 s ARG 456 Ca 0.57 -0.52 -0.23 0.00 -0.52 0.00 0.00 55.73 55.03 3jx6 s ARG 456 Cb -0.33 -1.39 -0.09 0.00 0.52 0.00 0.00 34.95 33.65 3jx6 s ARG 456 CO 0.42 0.18 0.83 -1.54 0.02 0.00 0.00 175.30 175.21 3jx6 s SER 457 N 0.17 7.22 0.01 0.23 1.04 -1.26 -4.51 113.70 116.60 3jx6 s SER 457 Ca -0.05 1.63 -0.28 0.00 0.48 0.00 0.00 55.95 57.72 3jx6 s SER 457 Cb -0.12 -2.50 0.07 0.00 0.10 0.00 0.00 66.02 63.57 3jx6 s SER 457 CO 0.02 0.01 0.65 0.00 0.98 0.00 0.00 173.24 174.90 3jx6 s ALA 458 N -1.53 -1.70 -0.02 5.32 0.00 -0.82 -1.93 121.76 121.08 3jx6 s ALA 458 Ca 0.45 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.50 3jx6 s ALA 458 Cb -0.18 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.18 3jx6 s ALA 458 CO 0.23 -0.47 -0.06 -1.50 0.00 0.00 0.00 175.76 173.95 3jx6 s ILE 459 N -1.89 0.54 -0.19 0.00 2.07 0.59 -1.16 121.20 121.16 3jx6 s ILE 459 Ca -0.08 -0.23 -0.03 0.00 -1.41 0.00 0.00 60.65 58.90 3jx6 s ILE 459 Cb -0.00 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 42.07 3jx6 s ILE 459 CO 0.04 0.18 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.31 3jx6 s THR 460 N 0.26 3.49 -0.26 4.00 2.01 -0.66 0.12 115.64 124.61 3jx6 s THR 460 Ca -0.03 -0.47 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 3jx6 s THR 460 Cb -0.08 -2.55 0.04 0.00 0.01 0.00 0.00 72.50 69.92 3jx6 s THR 460 CO -0.00 0.45 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.68 3jx6 s ILE 461 N 1.01 2.65 0.69 1.82 1.01 -0.18 -2.64 121.20 125.56 3jx6 s ILE 461 Ca 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 60.65 59.37 3jx6 s ILE 461 Cb -0.15 -2.42 0.08 0.00 0.01 0.00 0.00 42.46 39.99 3jx6 s ILE 461 CO 0.00 0.11 0.97 -0.36 0.00 0.00 0.00 174.94 175.66 3jx6 s PHE 462 N 1.25 2.44 0.42 3.97 0.08 -1.02 -0.33 117.98 124.81 3jx6 s PHE 462 Ca -0.03 0.11 -0.26 0.00 0.12 0.00 0.00 56.93 56.88 3jx6 s PHE 462 Cb -0.18 -3.09 -0.09 0.00 -0.57 0.00 0.00 43.02 39.09 3jx6 s PHE 462 CO -0.05 -1.44 1.38 -2.14 -0.10 0.00 0.00 175.22 172.87 3jx6 s PRO 463 N -5.13 3.84 0.88 0.24 0.02 -1.25 -4.71 135.00 128.88 3jx6 s PRO 463 Ca 0.62 2.32 -0.11 0.00 0.02 0.00 0.00 61.00 63.84 3jx6 s PRO 463 Cb -0.09 -2.73 0.12 0.00 0.02 0.00 0.00 34.50 31.83 3jx6 s PRO 463 CO 0.43 -0.65 1.16 0.00 -0.33 0.00 0.00 177.00 177.62 3jx6 n GLN 464 N 0.00 -0.21 -1.94 5.54 10.64 -1.26 -4.54 117.38 125.61 3jx6 n GLN 464 Ca 0.04 0.01 -0.42 0.00 -1.83 0.00 0.00 57.00 54.81 3jx6 n GLN 464 Cb 0.42 -2.40 -0.02 0.00 -0.86 0.00 0.00 30.24 27.38 3jx6 n GLN 464 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 3jx6 s ARG 465 N -4.42 4.22 0.00 2.61 3.52 0.13 -4.90 118.95 120.10 3jx6 s ARG 465 Ca 0.69 2.38 0.00 0.00 -0.13 0.00 0.00 55.73 58.67 3jx6 s ARG 465 Cb -0.25 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 3jx6 s ARG 465 CO 0.55 -0.51 0.00 0.25 -0.81 0.00 0.00 175.30 174.78 3jx6 n THR 466 N 2.68 0.00 1.25 4.11 -2.24 -1.26 -4.67 114.28 114.15 3jx6 n THR 466 Ca 0.09 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 3jx6 n THR 466 Cb 0.39 -0.51 0.31 0.00 -2.10 0.00 0.00 70.33 68.43 3jx6 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx6 n ASP 467 N -0.32 2.04 0.00 3.42 3.85 -1.26 -4.18 116.55 120.10 3jx6 n ASP 467 Ca 0.00 -1.62 0.00 0.00 -0.71 0.00 0.00 54.79 52.46 3jx6 n ASP 467 Cb 0.00 0.05 0.00 0.00 -1.35 0.00 0.00 41.12 39.82 3jx6 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jx6 n GLY 468 N 1.27 0.55 0.49 6.12 0.00 -1.26 -4.44 105.19 107.93 3jx6 n GLY 468 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3jx6 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx6 n LYS 469 N -2.28 1.56 -0.63 1.61 5.02 -1.26 -4.52 118.16 117.65 3jx6 n LYS 469 Ca 0.00 -1.04 0.06 0.00 -2.02 0.00 0.00 58.31 55.31 3jx6 n LYS 469 Cb 0.05 -1.35 0.15 0.00 -0.02 0.00 0.00 35.03 33.86 3jx6 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx6 n HIS 470 N 0.16 0.00 -1.69 2.13 8.25 -1.26 -4.25 115.22 118.56 3jx6 n HIS 470 Ca 0.08 -1.11 -0.43 0.00 -0.26 0.00 0.00 57.72 56.00 3jx6 n HIS 470 Cb 0.41 -0.20 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 3jx6 n HIS 470 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3jx6 n ASP 471 N -0.83 2.85 -4.77 0.41 10.43 -1.26 -2.51 116.55 120.86 3jx6 n ASP 471 Ca 0.15 1.18 -0.38 0.00 2.57 0.00 0.00 54.79 58.31 3jx6 n ASP 471 Cb 0.76 -1.48 -0.06 0.00 1.84 0.00 0.00 41.12 42.18 3jx6 n ASP 471 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3jx6 s PHE 472 N -0.71 3.65 -0.02 1.24 0.40 -1.26 -0.15 117.98 121.12 3jx6 s PHE 472 Ca 0.60 1.02 -0.06 0.00 -0.60 0.00 0.00 56.93 57.89 3jx6 s PHE 472 Cb -0.59 -2.48 0.01 0.00 0.51 0.00 0.00 43.02 40.48 3jx6 s PHE 472 CO 0.58 0.40 0.14 1.03 0.70 0.00 0.00 175.22 178.06 3jx6 s ARG 473 N -0.25 0.35 -0.34 0.44 1.81 -0.76 -2.87 118.95 117.33 3jx6 s ARG 473 Ca 0.26 -0.14 -0.11 0.00 -1.72 0.00 0.00 55.73 54.02 3jx6 s ARG 473 Cb -0.17 0.15 -0.00 0.00 -0.45 0.00 0.00 34.95 34.48 3jx6 s ARG 473 CO 0.13 -0.07 0.21 0.08 -0.68 0.00 0.00 175.30 174.97 3jx6 s VAL 474 N -0.76 4.89 0.34 3.52 1.01 -1.26 -1.80 120.40 126.34 3jx6 s VAL 474 Ca -0.08 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3jx6 s VAL 474 Cb -0.05 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 32.85 3jx6 s VAL 474 CO 0.01 -0.05 1.79 -0.50 0.00 0.00 0.00 175.10 176.35 3jx6 h TRP 475 N 8.44 0.23 -4.03 5.22 4.06 -1.10 -3.43 115.95 125.34 3jx6 h TRP 475 Ca -0.30 -0.05 -0.55 0.00 2.06 0.00 0.00 58.89 60.05 3jx6 h TRP 475 Cb 1.14 -0.06 0.14 0.00 -1.00 0.00 0.00 29.16 29.39 3jx6 h TRP 475 CO 0.63 0.50 0.59 0.09 -3.56 0.00 0.00 178.44 176.69 3jx6 n ASN 476 N -4.12 2.63 0.05 -3.49 4.13 -1.26 -4.94 115.26 108.26 3jx6 n ASN 476 Ca -0.01 0.96 -0.10 0.00 1.68 0.00 0.00 54.58 57.11 3jx6 n ASN 476 Cb 0.40 -1.58 -0.13 0.00 -1.54 0.00 0.00 39.78 36.93 3jx6 n ASN 476 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3jx6 h SER 477 N 1.32 0.12 -4.24 6.41 4.64 -1.90 -3.36 113.55 116.55 3jx6 h SER 477 Ca -0.51 -0.16 -0.37 0.00 -0.47 0.00 0.00 61.79 60.28 3jx6 h SER 477 Cb 1.31 -0.04 -0.19 0.00 -0.31 0.00 0.00 62.40 63.17 3jx6 h SER 477 CO 0.57 1.13 -0.75 -1.10 -0.87 0.00 0.00 176.83 175.80 3jx6 s GLN 478 N -2.66 0.92 0.30 4.77 -0.21 -1.26 -0.70 119.66 120.82 3jx6 s GLN 478 Ca -0.03 -1.16 0.02 0.00 0.02 0.00 0.00 55.36 54.21 3jx6 s GLN 478 Cb 0.09 -0.74 0.47 0.00 1.00 0.00 0.00 33.01 33.83 3jx6 s GLN 478 CO 0.83 0.14 1.79 -0.07 -2.12 0.00 0.00 175.29 175.86 3jx6 h LEU 479 N 3.64 0.54 -8.24 2.90 3.38 -0.79 -3.39 115.31 113.35 3jx6 h LEU 479 Ca -0.39 -0.14 -0.67 0.00 0.09 0.00 0.00 57.88 56.77 3jx6 h LEU 479 Cb 1.19 -0.14 -0.33 0.00 0.09 0.00 0.00 40.66 41.47 3jx6 h LEU 479 CO 0.50 0.68 -0.84 -0.63 0.09 0.00 0.00 178.44 178.24 3jx6 s ILE 480 N -4.78 2.29 -0.04 1.22 1.01 -1.26 -4.85 121.20 114.79 3jx6 s ILE 480 Ca -0.08 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.39 3jx6 s ILE 480 Cb 0.15 -1.94 0.09 0.00 0.01 0.00 0.00 42.46 40.76 3jx6 s ILE 480 CO 0.78 0.53 0.78 -0.13 0.00 0.00 0.00 174.94 176.91 3jx6 s ARG 481 N 0.92 0.94 0.03 2.79 0.52 -1.26 -4.84 118.95 118.03 3jx6 s ARG 481 Ca -0.04 0.02 -0.17 0.00 -0.52 0.00 0.00 55.73 55.02 3jx6 s ARG 481 Cb -0.15 0.44 -0.06 0.00 0.52 0.00 0.00 34.95 35.70 3jx6 s ARG 481 CO -0.03 -0.34 0.48 0.71 0.02 0.00 0.00 175.30 176.15 3jx6 s TYR 482 N -1.91 3.75 0.65 -0.53 4.12 -1.26 -0.70 117.35 121.48 3jx6 s TYR 482 Ca -0.04 1.12 -0.17 0.00 0.02 0.00 0.00 57.07 58.00 3jx6 s TYR 482 Cb -0.00 -2.40 -0.00 0.00 -1.52 0.00 0.00 41.96 38.03 3jx6 s TYR 482 CO 0.01 0.59 1.21 0.00 0.02 0.00 0.00 175.55 177.39 3jx6 s ALA 483 N -1.00 2.37 -0.02 3.71 0.00 0.12 -4.29 121.76 122.66 3jx6 s ALA 483 Ca 0.26 0.96 0.07 0.00 0.00 0.00 0.00 51.96 53.25 3jx6 s ALA 483 Cb -0.18 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 3jx6 s ALA 483 CO 0.16 -1.47 -0.23 0.20 0.00 0.00 0.00 175.76 174.42 3jx6 s GLY 484 N -1.79 1.12 -0.17 0.00 0.00 -1.24 -1.25 107.32 103.99 3jx6 s GLY 484 Ca 0.76 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 44.48 3jx6 s GLY 484 CO 0.39 -0.83 -0.00 -0.19 0.00 0.00 0.00 173.10 172.47 3jx6 s TYR 485 N -0.55 1.26 -0.02 1.90 1.51 0.81 -4.19 117.35 118.08 3jx6 s TYR 485 Ca 0.09 -0.88 -0.28 0.00 -1.01 0.00 0.00 57.07 54.98 3jx6 s TYR 485 Cb -0.09 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 3jx6 s TYR 485 CO -0.01 -0.58 0.89 0.21 -1.11 0.00 0.00 175.55 174.95 3jx6 s LYS 486 N 1.78 4.52 0.29 -0.62 2.47 -1.26 -0.75 119.74 126.17 3jx6 s LYS 486 Ca -0.00 1.25 -0.00 0.00 -1.56 0.00 0.00 55.97 55.66 3jx6 s LYS 486 Cb -0.16 -3.45 -0.04 0.00 -1.46 0.00 0.00 37.83 32.72 3jx6 s LYS 486 CO -0.07 -0.01 0.49 -0.65 0.16 0.00 0.00 175.35 175.27 3jx6 s GLN 487 N 0.92 3.52 0.56 4.03 -1.52 0.51 -4.97 119.66 122.70 3jx6 s GLN 487 Ca 0.47 -0.31 0.23 0.00 -1.95 0.00 0.00 55.36 53.81 3jx6 s GLN 487 Cb -0.20 -2.72 1.56 0.00 -0.22 0.00 0.00 33.01 31.43 3jx6 s GLN 487 CO 0.25 0.25 2.20 -1.35 -0.25 0.00 0.00 175.29 176.39 3jx6 h PRO 488 N 1.28 0.00 0.00 2.91 0.11 -1.96 0.13 132.00 134.46 3jx6 h PRO 488 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jx6 h PRO 488 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3jx6 h PRO 488 CO 0.64 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.03 3jx6 n ASP 489 N -4.16 0.00 0.00 -2.05 3.85 -1.26 -4.91 116.55 108.02 3jx6 n ASP 489 Ca -0.03 0.18 0.00 0.00 -0.71 0.00 0.00 54.79 54.23 3jx6 n ASP 489 Cb 0.09 -0.37 0.00 0.00 -1.35 0.00 0.00 41.12 39.49 3jx6 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jx6 n GLY 490 N 0.68 0.55 3.93 6.12 0.00 0.03 -5.06 105.19 111.45 3jx6 n GLY 490 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3jx6 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx6 s SER 491 N -2.72 3.98 0.04 1.61 1.04 -1.26 -4.79 113.70 111.59 3jx6 s SER 491 Ca 0.00 0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.88 3jx6 s SER 491 Cb 0.00 -0.71 -0.02 0.00 0.10 0.00 0.00 66.02 65.39 3jx6 s SER 491 CO 0.00 -2.18 -0.21 -0.89 0.98 0.00 0.00 173.24 170.94 3jx6 s THR 492 N -3.60 1.65 -0.08 2.02 2.01 -1.26 -0.36 115.64 116.01 3jx6 s THR 492 Ca 0.67 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 61.53 3jx6 s THR 492 Cb -0.07 -1.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 3jx6 s THR 492 CO 0.49 0.24 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.33 3jx6 s LEU 493 N -1.08 2.89 0.00 4.42 2.96 0.07 -4.96 118.68 122.97 3jx6 s LEU 493 Ca 0.07 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3jx6 s LEU 493 Cb -0.09 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.98 3jx6 s LEU 493 CO 0.01 0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.94 3jx6 n GLY 494 N 2.72 -0.27 3.52 7.98 0.00 -1.26 -0.13 105.19 117.73 3jx6 n GLY 494 Ca -0.18 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 3jx6 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx6 s ASP 495 N -4.00 6.35 0.60 1.61 -1.08 -0.38 -4.82 116.67 114.95 3jx6 s ASP 495 Ca 0.00 -0.35 0.35 0.00 -0.52 0.00 0.00 52.55 52.04 3jx6 s ASP 495 Cb 0.00 -2.37 1.93 0.00 -1.46 0.00 0.00 42.92 41.02 3jx6 s ASP 495 CO 0.00 -0.97 2.08 -0.65 0.52 0.00 0.00 175.17 176.15 3jx6 h PRO 496 N 9.06 0.00 0.00 4.34 0.11 -1.81 -0.97 132.00 142.72 3jx6 h PRO 496 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3jx6 h PRO 496 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3jx6 h PRO 496 CO 0.98 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 3jx6 n ALA 497 N -1.95 1.83 -0.57 -0.75 0.00 -1.26 -3.27 120.51 114.53 3jx6 n ALA 497 Ca -0.02 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.46 3jx6 n ALA 497 Cb 0.18 -1.34 0.10 0.00 0.00 0.00 0.00 19.45 18.38 3jx6 n ALA 497 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jx6 n ASN 498 N -1.81 2.38 -0.15 0.00 3.02 -0.37 -4.71 115.26 113.61 3jx6 n ASN 498 Ca 0.04 -2.57 -0.03 0.00 -0.03 0.00 0.00 54.58 51.99 3jx6 n ASN 498 Cb 0.24 -0.25 0.06 0.00 -0.61 0.00 0.00 39.78 39.22 3jx6 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx6 h VAL 499 N 0.30 0.76 0.41 2.41 2.07 -1.64 0.25 116.25 120.81 3jx6 h VAL 499 Ca 0.00 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3jx6 h VAL 499 Cb 0.82 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3jx6 h VAL 499 CO 0.02 0.05 -0.20 -0.61 0.02 0.00 0.00 177.57 176.85 3jx6 h GLN 500 N 0.27 -0.53 -0.70 1.57 4.15 -1.87 -1.19 115.11 116.82 3jx6 h GLN 500 Ca 0.24 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 3jx6 h GLN 500 Cb 0.30 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 3jx6 h GLN 500 CO -0.29 -0.24 0.41 0.35 -1.93 0.00 0.00 178.83 177.13 3jx6 h PHE 501 N -0.78 0.92 -0.18 3.99 3.57 -1.89 -1.90 116.94 120.67 3jx6 h PHE 501 Ca -0.06 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.48 3jx6 h PHE 501 Cb 0.53 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 3jx6 h PHE 501 CO 0.00 0.62 -0.07 1.15 -2.23 0.00 0.00 178.31 177.78 3jx6 h THR 502 N 0.96 0.75 0.10 4.41 2.02 -0.31 -1.36 112.91 119.48 3jx6 h THR 502 Ca 0.25 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.45 3jx6 h THR 502 Cb -0.02 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 3jx6 h THR 502 CO -0.05 0.00 -0.22 -0.33 0.37 0.00 0.00 175.52 175.30 3jx6 h GLU 503 N -0.05 -0.39 -0.64 6.66 5.08 -0.47 -0.04 114.58 124.74 3jx6 h GLU 503 Ca 0.09 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.61 3jx6 h GLU 503 Cb 0.19 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.40 3jx6 h GLU 503 CO -0.21 -0.26 -0.20 0.82 -1.00 0.00 0.00 179.01 178.16 3jx6 h ILE 504 N -0.40 0.31 -0.40 3.13 2.04 -1.34 0.48 117.51 121.32 3jx6 h ILE 504 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 3jx6 h ILE 504 Cb 0.43 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 3jx6 h ILE 504 CO -0.13 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.09 3jx6 h ILE 506 N 0.20 1.20 -0.71 0.00 2.04 0.60 -2.08 117.51 118.77 3jx6 h ILE 506 Ca 0.19 -0.45 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 3jx6 h ILE 506 Cb 0.23 -0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 3jx6 h ILE 506 CO -0.25 0.24 0.18 -0.61 0.00 0.00 0.00 178.15 177.71 3jx6 h GLN 507 N 1.30 1.12 0.00 2.37 4.15 0.71 -2.09 115.11 122.68 3jx6 h GLN 507 Ca 0.39 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3jx6 h GLN 507 Cb -0.05 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.49 3jx6 h GLN 507 CO -0.11 0.98 0.00 1.04 -1.93 0.00 0.00 178.83 178.81 3jx6 n GLN 508 N -4.24 0.17 0.00 1.69 1.13 0.09 -4.87 117.38 111.35 3jx6 n GLN 508 Ca 0.05 0.33 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 3jx6 n GLN 508 Cb 0.25 -1.78 0.00 0.00 0.11 0.00 0.00 30.24 28.82 3jx6 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jx6 n GLY 509 N 0.34 0.56 3.71 1.08 0.00 -0.78 -4.94 105.19 105.16 3jx6 n GLY 509 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3jx6 n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jx6 s TRP 510 N -1.55 2.68 -0.62 1.61 -0.00 -0.97 -4.98 118.94 115.12 3jx6 s TRP 510 Ca 0.00 0.28 -0.28 0.00 -0.00 0.00 0.00 56.10 56.10 3jx6 s TRP 510 Cb 0.00 -4.11 0.03 0.00 -0.00 0.00 0.00 33.47 29.39 3jx6 s TRP 510 CO 0.00 -4.32 1.21 0.15 -0.00 0.00 0.00 176.95 174.00 3jx6 s LYS 511 N 1.72 3.44 -0.09 5.86 -0.14 -1.26 -4.51 119.74 124.76 3jx6 s LYS 511 Ca 0.76 0.14 -0.28 0.00 -1.36 0.00 0.00 55.97 55.23 3jx6 s LYS 511 Cb -0.47 -4.05 -0.02 0.00 -1.68 0.00 0.00 37.83 31.61 3jx6 s LYS 511 CO 0.33 -1.79 0.93 0.00 -0.76 0.00 0.00 175.35 174.07 3jx6 s ALA 512 N 5.13 3.37 0.32 5.17 0.00 -1.26 -4.92 121.76 129.57 3jx6 s ALA 512 Ca 0.41 0.32 0.27 0.00 0.00 0.00 0.00 51.96 52.96 3jx6 s ALA 512 Cb -0.08 -3.32 1.32 0.00 0.00 0.00 0.00 23.12 21.04 3jx6 s ALA 512 CO 0.23 -0.48 2.00 -1.35 0.00 0.00 0.00 175.76 176.16 3jx6 h PRO 513 N 7.04 0.00 -5.61 0.00 0.11 -2.00 -3.47 132.00 128.07 3jx6 h PRO 513 Ca -0.34 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.46 3jx6 h PRO 513 Cb 1.16 0.00 0.17 0.00 0.11 0.00 0.00 31.00 32.45 3jx6 h PRO 513 CO 0.82 0.14 -0.81 0.54 -0.21 0.00 0.00 178.00 178.49 3jx6 n ARG 514 N -3.51 -4.91 -4.71 1.05 1.74 -1.26 -5.05 116.66 100.02 3jx6 n ARG 514 Ca -0.01 0.84 -0.31 0.00 -0.77 0.00 0.00 57.85 57.60 3jx6 n ARG 514 Cb 0.30 -5.80 -0.09 0.00 -1.02 0.00 0.00 32.46 25.85 3jx6 n ARG 514 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3jx6 s GLY 515 N -4.00 2.85 0.45 -0.13 0.00 -1.26 -5.06 107.32 100.17 3jx6 s GLY 515 Ca 0.17 -0.96 0.25 0.00 0.00 0.00 0.00 44.72 44.18 3jx6 s GLY 515 CO 0.74 -2.15 1.80 -0.09 0.00 0.00 0.00 173.10 173.40 3jx6 h ARG 516 N 1.50 0.00 -1.58 2.90 2.43 -1.94 -3.36 114.38 114.33 3jx6 h ARG 516 Ca -0.44 0.00 -0.46 0.00 -0.81 0.00 0.00 59.98 58.27 3jx6 h ARG 516 Cb 1.29 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.44 3jx6 h ARG 516 CO 0.75 0.17 -1.07 1.19 -1.51 0.00 0.00 179.97 179.50 3jx6 n PHE 517 N -3.26 1.49 -2.96 2.20 3.01 -1.26 -4.15 117.46 112.52 3jx6 n PHE 517 Ca 0.01 -3.35 -0.41 0.00 1.01 0.00 0.00 57.45 54.71 3jx6 n PHE 517 Cb 0.44 -0.37 -0.05 0.00 -0.01 0.00 0.00 39.48 39.50 3jx6 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx6 s ASP 518 N -2.98 6.86 -0.08 4.37 1.01 -1.26 -4.93 116.67 119.66 3jx6 s ASP 518 Ca 0.37 1.05 -0.30 0.00 0.71 0.00 0.00 52.55 54.39 3jx6 s ASP 518 Cb 0.39 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.86 3jx6 s ASP 518 CO -0.06 -0.36 1.54 -0.69 0.21 0.00 0.00 175.17 175.81 3jx6 s VAL 519 N 2.11 3.77 0.71 -1.27 1.01 -1.26 -0.70 120.40 124.77 3jx6 s VAL 519 Ca 0.35 0.94 -0.15 0.00 0.00 0.00 0.00 61.98 63.12 3jx6 s VAL 519 Cb -0.16 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.64 3jx6 s VAL 519 CO 0.11 -0.08 1.17 -0.76 0.00 0.00 0.00 175.10 175.54 3jx6 s LEU 520 N 3.83 3.34 0.46 3.92 1.43 0.12 -4.89 118.68 126.89 3jx6 s LEU 520 Ca 0.68 2.21 -0.13 0.00 -1.03 0.00 0.00 54.13 55.86 3jx6 s LEU 520 Cb -0.30 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.28 3jx6 s LEU 520 CO 0.25 -2.03 0.87 -2.16 0.23 0.00 0.00 176.35 173.51 3jx6 s PRO 521 N -3.99 3.82 0.23 1.29 0.04 -1.26 -4.79 135.00 130.35 3jx6 s PRO 521 Ca 0.71 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 3jx6 s PRO 521 Cb -0.25 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.92 3jx6 s PRO 521 CO 0.44 -0.16 1.10 -0.51 0.04 0.00 0.00 177.00 177.91 3jx6 s LEU 522 N -4.05 4.53 -0.29 -3.56 1.43 0.84 -4.85 118.68 112.72 3jx6 s LEU 522 Ca 0.54 2.19 0.01 0.00 -1.03 0.00 0.00 54.13 55.84 3jx6 s LEU 522 Cb -0.10 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.57 3jx6 s LEU 522 CO 0.33 -0.18 -0.03 -0.22 0.23 0.00 0.00 176.35 176.48 3jx6 s LEU 523 N -0.94 3.90 -0.12 1.79 2.96 -1.26 -1.69 118.68 123.32 3jx6 s LEU 523 Ca 0.47 -1.50 0.02 0.00 -0.22 0.00 0.00 54.13 52.90 3jx6 s LEU 523 Cb -0.31 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.75 3jx6 s LEU 523 CO 0.38 -0.26 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.19 3jx6 s LEU 524 N 1.13 2.27 -0.17 -0.68 1.43 -0.43 -0.47 118.68 121.75 3jx6 s LEU 524 Ca -0.04 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3jx6 s LEU 524 Cb -0.20 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.53 3jx6 s LEU 524 CO -0.04 0.14 -0.10 -1.58 0.23 0.00 0.00 176.35 175.00 3jx6 s GLN 525 N 0.50 3.35 -0.10 1.70 0.74 -0.74 -0.03 119.66 125.08 3jx6 s GLN 525 Ca -0.13 -0.67 0.04 0.00 0.05 0.00 0.00 55.36 54.65 3jx6 s GLN 525 Cb -0.17 -2.79 -0.00 0.00 1.10 0.00 0.00 33.01 31.15 3jx6 s GLN 525 CO 0.05 0.00 -0.23 0.00 -0.55 0.00 0.00 175.29 174.56 3jx6 s ALA 526 N 0.91 2.20 -1.37 1.58 0.00 -1.26 -1.83 121.76 122.00 3jx6 s ALA 526 Ca -0.02 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 3jx6 s ALA 526 Cb -0.15 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.17 3jx6 s ALA 526 CO -0.00 0.30 1.11 -1.71 0.00 0.00 0.00 175.76 175.46 3jx6 n ASN 527 N 3.47 -5.34 0.00 0.00 4.05 -1.18 -1.46 115.26 114.80 3jx6 n ASN 527 Ca -0.19 -0.60 0.00 0.00 0.45 0.00 0.00 54.58 54.24 3jx6 n ASN 527 Cb 0.53 -4.81 0.00 0.00 1.23 0.00 0.00 39.78 36.73 3jx6 n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jx6 n GLY 528 N -1.83 0.63 3.72 8.20 0.00 0.79 -4.60 105.19 112.11 3jx6 n GLY 528 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3jx6 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx6 s ASN 529 N -2.53 3.71 0.51 1.61 0.01 -0.53 -4.89 114.94 112.82 3jx6 s ASN 529 Ca 0.00 1.81 -0.22 0.00 -0.71 0.00 0.00 52.86 53.74 3jx6 s ASN 529 Cb 0.00 -2.43 -0.07 0.00 0.41 0.00 0.00 41.25 39.15 3jx6 s ASN 529 CO 0.00 -2.54 1.13 0.47 -1.51 0.00 0.00 177.10 174.65 3jx6 n ASP 530 N -3.85 1.69 -4.87 -1.22 8.00 -1.26 -4.19 116.55 110.85 3jx6 n ASP 530 Ca 0.09 0.96 -0.31 0.00 0.71 0.00 0.00 54.79 56.24 3jx6 n ASP 530 Cb 0.53 -1.45 0.01 0.00 -0.02 0.00 0.00 41.12 40.20 3jx6 n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3jx6 s PRO 531 N -2.50 3.59 0.03 -0.24 0.04 -1.26 -4.65 135.00 130.01 3jx6 s PRO 531 Ca 0.69 0.74 0.05 0.00 0.04 0.00 0.00 61.00 62.53 3jx6 s PRO 531 Cb -0.47 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 3jx6 s PRO 531 CO 0.52 -0.58 -0.16 -1.21 0.04 0.00 0.00 177.00 175.61 3jx6 s GLU 532 N -5.18 1.13 0.18 4.56 2.02 0.96 -4.84 118.70 117.53 3jx6 s GLU 532 Ca 0.55 -0.75 -0.22 0.00 0.02 0.00 0.00 54.97 54.58 3jx6 s GLU 532 Cb -0.11 -1.15 -0.08 0.00 0.10 0.00 0.00 34.13 32.89 3jx6 s GLU 532 CO 0.54 0.30 0.73 -0.51 0.02 0.00 0.00 175.26 176.33 3jx6 s LEU 533 N -0.94 4.46 -0.10 1.80 1.43 -1.26 -1.32 118.68 122.75 3jx6 s LEU 533 Ca 0.04 1.49 -0.12 0.00 -1.03 0.00 0.00 54.13 54.51 3jx6 s LEU 533 Cb -0.08 -3.40 0.03 0.00 0.03 0.00 0.00 46.19 42.78 3jx6 s LEU 533 CO 0.01 0.13 0.33 -0.36 0.23 0.00 0.00 176.35 176.68 3jx6 s PHE 534 N -1.34 -0.32 -0.27 0.29 0.40 -0.68 -4.98 117.98 111.08 3jx6 s PHE 534 Ca 0.39 0.74 -0.12 0.00 -0.60 0.00 0.00 56.93 57.33 3jx6 s PHE 534 Cb -0.19 0.12 -0.05 0.00 0.51 0.00 0.00 43.02 43.41 3jx6 s PHE 534 CO 0.23 -0.22 0.26 -1.14 0.70 0.00 0.00 175.22 175.04 3jx6 s GLN 535 N -0.17 3.98 0.25 0.44 0.74 -1.26 -0.11 119.66 123.52 3jx6 s GLN 535 Ca -0.03 -0.18 -0.31 0.00 0.05 0.00 0.00 55.36 54.89 3jx6 s GLN 535 Cb -0.03 -3.65 -0.13 0.00 1.10 0.00 0.00 33.01 30.30 3jx6 s GLN 535 CO 0.01 -0.20 1.55 -0.89 -0.55 0.00 0.00 175.29 175.21 3jx6 n ILE 536 N 5.03 0.74 -1.70 -2.34 5.41 -1.26 -4.89 119.36 120.35 3jx6 n ILE 536 Ca -0.12 -0.18 -0.42 0.00 1.00 0.00 0.00 62.75 63.03 3jx6 n ILE 536 Cb 0.52 -1.76 -0.03 0.00 -0.71 0.00 0.00 39.64 37.66 3jx6 n ILE 536 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3jx6 s PRO 537 N -0.08 4.13 0.32 0.38 0.02 -1.26 -4.84 135.00 133.67 3jx6 s PRO 537 Ca 0.69 2.62 0.09 0.00 0.02 0.00 0.00 61.00 64.42 3jx6 s PRO 537 Cb -0.57 -3.58 0.88 0.00 0.02 0.00 0.00 34.50 31.24 3jx6 s PRO 537 CO 0.45 -0.85 1.73 -1.35 -0.33 0.00 0.00 177.00 176.65 3jx6 h PRO 538 N 8.59 0.55 0.00 5.54 0.11 -1.95 0.40 132.00 145.24 3jx6 h PRO 538 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3jx6 h PRO 538 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3jx6 h PRO 538 CO 0.95 0.36 0.00 -0.85 -0.21 0.00 0.00 178.00 178.25 3jx6 n GLU 539 N -4.90 0.15 0.00 1.05 0.00 -1.26 -1.04 120.64 114.65 3jx6 n GLU 539 Ca 0.27 0.59 0.12 0.00 0.00 0.00 0.00 57.16 58.13 3jx6 n GLU 539 Cb 0.74 -1.94 0.19 0.00 0.00 0.00 0.00 31.44 30.42 3jx6 n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3jx6 n LEU 540 N -2.26 1.03 -4.36 -1.84 4.32 0.14 -4.77 117.00 109.25 3jx6 n LEU 540 Ca -0.01 -0.31 -0.45 0.00 -0.02 0.00 0.00 56.01 55.22 3jx6 n LEU 540 Cb 0.08 -0.12 -0.04 0.00 -1.62 0.00 0.00 43.42 41.72 3jx6 n LEU 540 CO 0.12 0.21 0.40 -0.69 -1.22 0.00 0.00 177.39 176.22 3jx6 s VAL 541 N -2.74 5.04 -0.12 4.08 1.01 -0.20 -4.80 120.40 122.66 3jx6 s VAL 541 Ca 0.16 -1.42 -0.30 0.00 0.00 0.00 0.00 61.98 60.43 3jx6 s VAL 541 Cb 0.18 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 3jx6 s VAL 541 CO 0.65 -1.09 1.09 -0.22 0.00 0.00 0.00 175.10 175.53 3jx6 s LEU 542 N 2.01 4.22 0.12 3.92 2.96 -1.26 -5.01 118.68 125.64 3jx6 s LEU 542 Ca 0.13 1.60 0.08 0.00 -0.22 0.00 0.00 54.13 55.71 3jx6 s LEU 542 Cb -0.21 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 3jx6 s LEU 542 CO 0.01 -0.56 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.68 3jx6 s GLU 543 N 2.45 1.14 -0.20 1.98 2.02 -1.26 -0.78 118.70 124.04 3jx6 s GLU 543 Ca 0.50 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 54.28 3jx6 s GLU 543 Cb -0.20 -1.29 0.04 0.00 0.10 0.00 0.00 34.13 32.78 3jx6 s GLU 543 CO 0.16 0.28 -0.11 0.08 0.02 0.00 0.00 175.26 175.70 3jx6 s VAL 544 N -1.51 1.69 0.34 2.63 1.01 0.13 -4.90 120.40 119.79 3jx6 s VAL 544 Ca 0.09 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 3jx6 s VAL 544 Cb -0.08 -1.76 -0.10 0.00 0.00 0.00 0.00 36.38 34.44 3jx6 s VAL 544 CO 0.05 0.18 1.33 -2.84 0.00 0.00 0.00 175.10 173.81 3jx6 s PRO 545 N 1.37 4.33 -0.24 2.72 0.02 -1.26 -1.20 135.00 140.74 3jx6 s PRO 545 Ca -0.01 2.26 -0.11 0.00 0.02 0.00 0.00 61.00 63.15 3jx6 s PRO 545 Cb -0.16 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 3jx6 s PRO 545 CO -0.08 -0.23 0.20 0.42 -0.33 0.00 0.00 177.00 176.98 3jx6 s ILE 546 N -1.13 5.33 0.24 2.83 -1.09 0.12 -4.85 121.20 122.64 3jx6 s ILE 546 Ca 0.49 0.26 0.01 0.00 -2.23 0.00 0.00 60.65 59.18 3jx6 s ILE 546 Cb -0.41 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 3jx6 s ILE 546 CO 0.54 0.32 0.10 0.00 -1.23 0.00 0.00 174.94 174.66 3jx6 s ARG 547 N 1.20 1.34 0.02 2.79 3.03 -1.26 -3.95 118.95 122.12 3jx6 s ARG 547 Ca 0.09 -1.72 0.08 0.00 2.03 0.00 0.00 55.73 56.22 3jx6 s ARG 547 Cb -0.14 -0.14 -0.03 0.00 -1.03 0.00 0.00 34.95 33.61 3jx6 s ARG 547 CO 0.06 -0.31 -0.25 -1.58 -1.13 0.00 0.00 175.30 172.10 3jx6 s HIS 548 N -3.84 2.37 0.41 5.89 2.46 -1.25 -4.33 115.29 117.00 3jx6 s HIS 548 Ca 0.37 -0.39 0.11 0.00 0.47 0.00 0.00 55.06 55.63 3jx6 s HIS 548 Cb 0.08 -1.44 0.88 0.00 -0.13 0.00 0.00 32.58 31.96 3jx6 s HIS 548 CO 0.13 0.10 1.96 -1.00 -2.47 0.00 0.00 174.74 173.45 3jx6 h PRO 549 N 4.98 0.17 0.00 2.88 0.13 -1.92 -3.33 132.00 134.91 3jx6 h PRO 549 Ca -0.46 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 3jx6 h PRO 549 Cb 1.14 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 3jx6 h PRO 549 CO 0.45 0.30 -1.59 1.63 -0.23 0.00 0.00 178.00 178.56 3jx6 n LYS 550 N -4.31 1.06 -3.02 0.86 5.02 -1.26 -4.94 118.16 111.56 3jx6 n LYS 550 Ca -0.01 0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 3jx6 n LYS 550 Cb 0.24 -1.21 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 3jx6 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx6 s PHE 551 N -2.21 3.15 -0.53 2.13 0.08 -1.25 -4.90 117.98 114.45 3jx6 s PHE 551 Ca -0.11 0.52 0.24 0.00 0.12 0.00 0.00 56.93 57.71 3jx6 s PHE 551 Cb 0.03 -3.25 0.39 0.00 -0.57 0.00 0.00 43.02 39.63 3jx6 s PHE 551 CO 0.27 -0.65 1.46 0.22 -0.10 0.00 0.00 175.22 176.43 3jx6 h ASP 552 N 8.40 0.00 0.95 1.36 3.58 -1.92 -3.19 116.42 125.60 3jx6 h ASP 552 Ca -0.25 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.14 3jx6 h ASP 552 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 3jx6 h ASP 552 CO 0.87 0.03 0.00 -2.67 -2.88 0.00 0.00 179.24 174.59 3jx6 n TRP 553 N -2.54 0.74 -0.29 0.28 4.27 -1.26 -3.92 117.44 114.70 3jx6 n TRP 553 Ca 0.03 0.26 -0.05 0.00 -3.89 0.00 0.00 57.50 53.85 3jx6 n TRP 553 Cb 0.48 -0.92 0.07 0.00 -1.36 0.00 0.00 31.31 29.58 3jx6 n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3jx6 h PHE 554 N 0.00 1.15 -0.96 -2.67 3.04 -1.92 -1.90 116.94 113.69 3jx6 h PHE 554 Ca 0.00 -0.05 0.05 0.00 3.98 0.00 0.00 57.97 61.95 3jx6 h PHE 554 Cb 0.48 -0.36 -0.06 0.00 2.56 0.00 0.00 35.95 38.57 3jx6 h PHE 554 CO 0.00 0.84 0.62 1.57 -2.02 0.00 0.00 178.31 179.31 3jx6 h LYS 555 N 1.14 1.12 0.00 1.11 2.10 -1.69 -2.34 116.57 118.01 3jx6 h LYS 555 Ca 0.28 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 3jx6 h LYS 555 Cb 0.11 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 31.19 3jx6 h LYS 555 CO -0.04 0.74 0.07 -0.44 -2.00 0.00 0.00 179.45 177.78 3jx6 h ASP 556 N 1.16 0.00 0.16 7.07 3.32 -1.55 0.58 116.42 127.16 3jx6 h ASP 556 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 3jx6 h ASP 556 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3jx6 h ASP 556 CO -0.15 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.30 3jx6 h LEU 557 N 0.00 0.00 0.02 1.55 3.38 -1.40 -3.46 115.31 115.40 3jx6 h LEU 557 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3jx6 h LEU 557 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3jx6 h LEU 557 CO 0.00 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.13 3jx6 n GLY 558 N -0.98 0.44 3.76 0.83 0.00 0.20 -5.02 105.19 104.42 3jx6 n GLY 558 Ca -0.01 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3jx6 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx6 s LEU 559 N -0.09 4.57 0.23 0.99 1.43 -1.26 -4.95 118.68 119.60 3jx6 s LEU 559 Ca 0.00 2.14 -0.00 0.00 -1.03 0.00 0.00 54.13 55.23 3jx6 s LEU 559 Cb 0.00 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 3jx6 s LEU 559 CO 0.00 -0.04 0.20 -1.59 0.23 0.00 0.00 176.35 175.15 3jx6 s LYS 560 N -1.39 1.35 0.11 1.70 -2.85 -1.26 0.15 119.74 117.54 3jx6 s LYS 560 Ca 0.44 -1.68 -0.16 0.00 -1.00 0.00 0.00 55.97 53.57 3jx6 s LYS 560 Cb -0.29 0.30 0.03 0.00 -2.06 0.00 0.00 37.83 35.81 3jx6 s LYS 560 CO 0.37 -0.47 0.39 -0.46 0.10 0.00 0.00 175.35 175.28 3jx6 s TRP 561 N -3.98 -0.19 0.43 1.78 -0.11 -0.34 -4.89 118.94 111.64 3jx6 s TRP 561 Ca 0.38 -0.08 -0.11 0.00 1.22 0.00 0.00 56.10 57.51 3jx6 s TRP 561 Cb 0.05 0.23 -0.06 0.00 -1.50 0.00 0.00 33.47 32.19 3jx6 s TRP 561 CO 0.15 -0.67 0.80 1.52 -4.62 0.00 0.00 176.95 174.13 3jx6 s TYR 562 N -3.56 3.48 0.05 5.86 -0.85 -1.26 0.22 117.35 121.29 3jx6 s TYR 562 Ca 0.02 1.07 0.09 0.00 -0.52 0.00 0.00 57.07 57.72 3jx6 s TYR 562 Cb 0.02 -2.47 -0.22 0.00 0.38 0.00 0.00 41.96 39.66 3jx6 s TYR 562 CO -0.10 -0.17 1.02 0.78 -1.52 0.00 0.00 175.55 175.55 3jx6 h GLY 563 N 1.05 0.01 -7.21 5.49 0.00 -1.31 -3.45 103.07 97.66 3jx6 h GLY 563 Ca -0.47 -0.03 -0.69 0.00 0.00 0.00 0.00 47.33 46.13 3jx6 h GLY 563 CO 0.63 0.03 0.04 -2.27 0.00 0.00 0.00 176.54 174.97 3jx6 s LEU 564 N -6.48 5.17 -0.11 3.11 2.96 -1.26 -4.52 118.68 117.54 3jx6 s LEU 564 Ca -0.02 -1.12 -0.30 0.00 -0.22 0.00 0.00 54.13 52.47 3jx6 s LEU 564 Cb 0.09 -2.38 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 3jx6 s LEU 564 CO 0.82 -0.95 1.22 -2.16 -1.32 0.00 0.00 176.35 173.96 3jx6 s PRO 565 N 2.56 4.30 -0.31 0.98 0.04 -1.26 -4.70 135.00 136.60 3jx6 s PRO 565 Ca 0.13 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 62.81 3jx6 s PRO 565 Cb -0.21 -3.65 0.13 0.00 0.04 0.00 0.00 34.50 30.80 3jx6 s PRO 565 CO 0.10 -0.57 0.25 0.00 0.04 0.00 0.00 177.00 176.82 3jx6 s ALA 566 N 2.83 0.04 -0.07 8.56 0.00 -1.26 -3.27 121.76 128.58 3jx6 s ALA 566 Ca 0.55 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 3jx6 s ALA 566 Cb -0.23 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 3jx6 s ALA 566 CO 0.18 -1.82 1.00 0.08 0.00 0.00 0.00 175.76 175.20 3jx6 s VAL 567 N 1.96 4.81 0.00 0.00 1.01 0.83 -0.06 120.40 128.96 3jx6 s VAL 567 Ca 0.12 2.04 0.00 0.00 0.00 0.00 0.00 61.98 64.14 3jx6 s VAL 567 Cb -0.16 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.91 3jx6 s VAL 567 CO -0.25 0.06 0.69 -1.54 0.00 0.00 0.00 175.10 174.06 3jx6 n SER 568 N 4.64 1.30 -0.52 3.32 3.41 0.12 -0.84 113.62 125.05 3jx6 n SER 568 Ca 0.08 -1.45 0.05 0.00 -0.26 0.00 0.00 58.87 57.29 3jx6 n SER 568 Cb 0.49 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.59 3jx6 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx6 n ASN 569 N -0.22 2.89 -4.88 4.04 6.94 -1.23 -4.37 115.26 118.43 3jx6 n ASN 569 Ca 0.00 -2.28 -0.21 0.00 -0.02 0.00 0.00 54.58 52.08 3jx6 n ASN 569 Cb 0.17 -0.26 -0.03 0.00 -2.36 0.00 0.00 39.78 37.30 3jx6 n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3jx6 s MET 570 N -1.49 2.71 -0.09 -3.83 -1.94 -1.26 -4.27 119.30 109.14 3jx6 s MET 570 Ca 0.23 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 52.89 3jx6 s MET 570 Cb 0.15 -2.49 -0.02 0.00 2.01 0.00 0.00 34.83 34.48 3jx6 s MET 570 CO 0.10 0.00 -0.10 -1.17 -0.01 0.00 0.00 175.02 173.84 3jx6 s LEU 571 N -4.06 2.94 -0.33 -0.03 0.20 0.47 -4.26 118.68 113.61 3jx6 s LEU 571 Ca 0.44 -0.16 -0.09 0.00 0.69 0.00 0.00 54.13 55.01 3jx6 s LEU 571 Cb -0.06 -1.64 0.01 0.00 -0.43 0.00 0.00 46.19 44.08 3jx6 s LEU 571 CO 0.28 0.29 0.15 -0.22 -0.29 0.00 0.00 176.35 176.55 3jx6 s LEU 572 N -0.38 4.27 -0.28 -0.68 2.96 0.11 -0.28 118.68 124.41 3jx6 s LEU 572 Ca 0.05 -0.78 -0.11 0.00 -0.22 0.00 0.00 54.13 53.06 3jx6 s LEU 572 Cb -0.12 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 3jx6 s LEU 572 CO 0.02 -0.27 0.20 -0.70 -1.32 0.00 0.00 176.35 174.28 3jx6 s GLU 573 N 1.55 3.96 -0.08 1.98 2.12 0.05 -0.64 118.70 127.64 3jx6 s GLU 573 Ca 0.03 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.07 3jx6 s GLU 573 Cb -0.18 -3.65 0.02 0.00 0.26 0.00 0.00 34.13 30.58 3jx6 s GLU 573 CO 0.05 -0.17 -0.06 0.42 -0.54 0.00 0.00 175.26 174.96 3jx6 s ILE 574 N 1.73 0.84 -1.45 -3.70 1.01 -0.77 -1.91 121.20 116.95 3jx6 s ILE 574 Ca 0.08 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.44 3jx6 s ILE 574 Cb -0.16 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.48 3jx6 s ILE 574 CO 0.10 0.32 0.63 0.61 0.00 0.00 0.00 174.94 176.60 3jx6 n GLY 575 N 4.61 -0.51 3.46 6.18 0.00 -1.26 0.15 105.19 117.82 3jx6 n GLY 575 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3jx6 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx6 n GLY 576 N -1.45 2.70 3.81 -0.02 0.00 -1.26 -3.43 105.19 105.53 3jx6 n GLY 576 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3jx6 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx6 s LEU 577 N 0.00 4.00 -0.24 0.99 1.43 0.12 -5.03 118.68 119.96 3jx6 s LEU 577 Ca 0.00 1.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.92 3jx6 s LEU 577 Cb 0.00 -4.43 0.05 0.00 0.03 0.00 0.00 46.19 41.84 3jx6 s LEU 577 CO 0.00 -0.42 -0.13 -1.61 0.23 0.00 0.00 176.35 174.42 3jx6 s GLU 578 N -2.95 2.51 -0.50 1.70 2.02 -1.26 -1.84 118.70 118.38 3jx6 s GLU 578 Ca 0.61 -1.17 -0.12 0.00 0.02 0.00 0.00 54.97 54.31 3jx6 s GLU 578 Cb -0.13 -2.80 0.12 0.00 0.10 0.00 0.00 34.13 31.42 3jx6 s GLU 578 CO 0.18 -0.45 0.42 -0.06 0.02 0.00 0.00 175.26 175.36 3jx6 s PHE 579 N 1.17 3.34 -0.33 1.61 0.40 0.19 0.17 117.98 124.53 3jx6 s PHE 579 Ca -0.04 -1.58 0.23 0.00 -0.60 0.00 0.00 56.93 54.94 3jx6 s PHE 579 Cb -0.18 -3.62 0.14 0.00 0.51 0.00 0.00 43.02 39.87 3jx6 s PHE 579 CO -0.07 -1.00 1.25 0.66 0.70 0.00 0.00 175.22 176.75 3jx6 h SER 580 N 8.66 0.00 -3.69 1.36 4.64 -1.82 0.32 113.55 123.02 3jx6 h SER 580 Ca -0.25 -0.01 -0.68 0.00 -0.47 0.00 0.00 61.79 60.38 3jx6 h SER 580 Cb 1.09 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.84 3jx6 h SER 580 CO 0.94 0.01 -0.75 0.00 -0.87 0.00 0.00 176.83 176.16 3jx6 s ALA 581 N -3.30 2.69 -0.42 5.18 0.00 -1.14 -4.64 121.76 120.13 3jx6 s ALA 581 Ca 0.02 -1.65 0.08 0.00 0.00 0.00 0.00 51.96 50.42 3jx6 s ALA 581 Cb 0.08 -1.74 0.32 0.00 0.00 0.00 0.00 23.12 21.78 3jx6 s ALA 581 CO 0.75 -1.07 0.90 0.00 0.00 0.00 0.00 175.76 176.33 3jx6 s PRO 583 N -0.80 4.32 0.12 0.00 0.04 -1.08 -4.71 135.00 132.89 3jx6 s PRO 583 Ca 0.31 2.25 0.04 0.00 0.04 0.00 0.00 61.00 63.64 3jx6 s PRO 583 Cb 0.30 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 3jx6 s PRO 583 CO -0.09 -0.28 -0.10 -0.59 0.04 0.00 0.00 177.00 175.98 3jx6 s PHE 584 N -0.74 1.16 0.10 0.56 -0.12 -0.02 -1.66 117.98 117.25 3jx6 s PHE 584 Ca 0.52 -0.72 -0.14 0.00 -0.05 0.00 0.00 56.93 56.55 3jx6 s PHE 584 Cb -0.41 -0.61 0.02 0.00 -0.63 0.00 0.00 43.02 41.40 3jx6 s PHE 584 CO 0.50 0.03 0.33 -1.54 -0.05 0.00 0.00 175.22 174.49 3jx6 s SER 585 N -2.83 -0.12 0.00 1.98 1.04 -0.31 -0.12 113.70 113.33 3jx6 s SER 585 Ca 0.11 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3jx6 s SER 585 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3jx6 s SER 585 CO -0.00 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.06 3jx6 n GLY 586 N -0.02 3.69 3.16 7.32 0.00 -1.20 -1.95 105.19 116.19 3jx6 n GLY 586 Ca -0.16 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 3jx6 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx6 s TRP 587 N 2.62 0.33 0.37 1.61 -2.14 -1.26 -4.63 118.94 115.83 3jx6 s TRP 587 Ca 0.00 -0.80 -0.25 0.00 2.66 0.00 0.00 56.10 57.71 3jx6 s TRP 587 Cb 0.00 -0.20 -0.09 0.00 -3.10 0.00 0.00 33.47 30.08 3jx6 s TRP 587 CO 0.00 -0.49 1.04 0.71 -2.66 0.00 0.00 176.95 175.55 3jx6 s TYR 588 N -3.90 3.39 0.05 1.66 1.51 -1.26 -4.93 117.35 113.87 3jx6 s TYR 588 Ca 0.07 1.68 -0.23 0.00 -1.01 0.00 0.00 57.07 57.58 3jx6 s TYR 588 Cb 0.06 -3.11 -0.06 0.00 -0.11 0.00 0.00 41.96 38.74 3jx6 s TYR 588 CO -0.10 -0.46 0.70 1.41 -1.11 0.00 0.00 175.55 175.99 3jx6 s MET 589 N -2.28 4.42 0.24 -0.62 -2.45 -1.26 -2.14 119.30 115.21 3jx6 s MET 589 Ca 0.55 0.95 -0.05 0.00 -1.25 0.00 0.00 55.69 55.88 3jx6 s MET 589 Cb -0.23 -3.33 0.43 0.00 1.25 0.00 0.00 34.83 32.96 3jx6 s MET 589 CO 0.29 0.39 1.71 0.78 1.05 0.00 0.00 175.02 179.24 3jx6 h GLY 590 N 5.32 1.05 1.48 2.11 0.00 -1.33 -1.14 103.07 110.55 3jx6 h GLY 590 Ca -0.45 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 46.85 3jx6 h GLY 590 CO 0.69 -0.13 0.20 -0.91 0.00 0.00 0.00 176.54 176.38 3jx6 h THR 591 N 0.36 0.65 -0.57 4.70 1.35 -1.94 -1.71 112.91 115.76 3jx6 h THR 591 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.26 3jx6 h THR 591 Cb 0.63 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 67.87 3jx6 h THR 591 CO -0.43 0.00 0.36 -0.33 -0.25 0.00 0.00 175.52 174.86 3jx6 h GLU 592 N 0.00 0.76 0.00 4.72 5.08 -1.62 0.52 114.58 124.04 3jx6 h GLU 592 Ca 0.11 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3jx6 h GLU 592 Cb 0.50 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3jx6 h GLU 592 CO -0.00 0.52 -0.62 0.82 -1.00 0.00 0.00 179.01 178.72 3jx6 h ILE 593 N 0.77 0.37 -0.08 3.13 2.04 -1.53 -1.79 117.51 120.43 3jx6 h ILE 593 Ca 0.21 -1.42 -0.14 0.00 1.00 0.00 0.00 64.86 64.51 3jx6 h ILE 593 Cb -0.06 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3jx6 h ILE 593 CO -0.04 0.13 -0.56 1.23 0.00 0.00 0.00 178.15 178.91 3jx6 h GLY 594 N -1.00 0.27 0.00 5.37 0.00 -1.37 0.95 103.07 107.29 3jx6 h GLY 594 Ca -0.10 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 3jx6 h GLY 594 CO -0.06 0.28 -0.82 -0.62 0.00 0.00 0.00 176.54 175.32 3jx6 n VAL 595 N -3.91 1.46 -0.07 4.60 0.31 0.15 -4.16 118.33 116.70 3jx6 n VAL 595 Ca -0.02 0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.33 3jx6 n VAL 595 Cb 0.59 -2.27 -0.06 0.00 -0.91 0.00 0.00 33.84 31.19 3jx6 n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3jx6 h ARG 596 N -1.00 0.00 -0.70 5.55 2.47 -1.53 -2.17 114.38 117.00 3jx6 h ARG 596 Ca -0.13 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.56 3jx6 h ARG 596 Cb 0.81 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.10 3jx6 h ARG 596 CO -0.08 0.46 0.32 -0.91 0.56 0.00 0.00 179.97 180.32 3jx6 h ASN 597 N -1.00 0.92 0.47 7.04 2.35 -1.12 -2.03 115.58 122.22 3jx6 h ASN 597 Ca -0.09 -0.14 -0.30 0.00 -0.55 0.00 0.00 56.30 55.22 3jx6 h ASN 597 Cb 0.68 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 3jx6 h ASN 597 CO -0.05 0.81 -1.69 1.88 -1.65 0.00 0.00 177.43 176.72 3jx6 h TYR 598 N 0.97 0.09 -0.00 1.19 0.99 -1.01 -2.74 116.97 116.46 3jx6 h TYR 598 Ca 0.24 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.90 3jx6 h TYR 598 Cb 0.14 -0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.87 3jx6 h TYR 598 CO 0.01 1.12 -0.23 0.00 -0.00 0.00 0.00 178.16 179.06 3jx6 n ASP 600 N -0.81 3.05 -0.11 0.00 10.43 -0.77 -4.71 116.55 123.63 3jx6 n ASP 600 Ca 0.02 1.19 0.05 0.00 2.57 0.00 0.00 54.79 58.62 3jx6 n ASP 600 Cb 0.11 -1.51 0.38 0.00 1.84 0.00 0.00 41.12 41.95 3jx6 n ASP 600 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3jx6 h ASN 601 N 3.20 0.59 -0.17 -2.24 -0.26 -1.92 -2.02 115.58 112.76 3jx6 h ASN 601 Ca -0.47 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 3jx6 h ASN 601 Cb 1.27 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.39 3jx6 h ASN 601 CO 0.67 0.40 0.00 -1.54 -1.06 0.00 0.00 177.43 175.90 3jx6 n SER 602 N -4.47 1.24 0.00 5.81 3.41 -1.26 -4.62 113.62 113.73 3jx6 n SER 602 Ca 0.08 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 3jx6 n SER 602 Cb 0.16 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3jx6 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jx6 n ARG 603 N 0.09 1.47 0.25 4.33 5.12 -0.78 -4.24 116.66 122.90 3jx6 n ARG 603 Ca 0.13 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.21 3jx6 n ARG 603 Cb 0.24 0.00 0.58 0.00 -1.16 0.00 0.00 32.46 32.11 3jx6 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx6 h TYR 604 N 0.00 0.00 -6.41 -1.55 -1.99 -1.64 -3.42 116.97 101.97 3jx6 h TYR 604 Ca 0.00 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.25 3jx6 h TYR 604 Cb 0.00 0.00 0.04 0.00 2.00 0.00 0.00 36.73 38.77 3jx6 h TYR 604 CO 0.00 0.00 -0.95 -1.71 -0.00 0.00 0.00 178.16 175.50 3jx6 n ASN 605 N -3.01 -4.24 -0.98 3.88 4.05 -0.27 -4.88 115.26 109.81 3jx6 n ASN 605 Ca 0.01 -1.07 0.12 0.00 0.45 0.00 0.00 54.58 54.09 3jx6 n ASN 605 Cb 0.34 -3.00 0.21 0.00 1.23 0.00 0.00 39.78 38.57 3jx6 n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jx6 n ILE 606 N -4.39 0.25 -0.03 -1.44 -5.35 -0.45 -4.60 119.36 103.35 3jx6 n ILE 606 Ca -0.13 -0.58 -0.08 0.00 -0.27 0.00 0.00 62.75 61.69 3jx6 n ILE 606 Cb 0.60 1.08 -0.02 0.00 -1.74 0.00 0.00 39.64 39.56 3jx6 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx6 h LEU 607 N 4.19 -0.48 0.02 7.28 3.38 -1.88 -1.90 115.31 125.91 3jx6 h LEU 607 Ca 0.00 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3jx6 h LEU 607 Cb 0.91 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 3jx6 h LEU 607 CO 0.00 -0.19 -0.45 -0.33 0.09 0.00 0.00 178.44 177.56 3jx6 h GLU 608 N -0.15 -0.59 -0.78 1.13 5.08 -1.99 -0.84 114.58 116.44 3jx6 h GLU 608 Ca 0.12 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3jx6 h GLU 608 Cb 0.33 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3jx6 h GLU 608 CO -0.29 -0.40 0.51 1.49 -1.00 0.00 0.00 179.01 179.32 3jx6 h GLU 609 N -0.62 0.91 0.03 2.33 4.81 -1.82 0.27 114.58 120.49 3jx6 h GLU 609 Ca 0.04 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3jx6 h GLU 609 Cb 0.68 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3jx6 h GLU 609 CO -0.32 0.60 -0.01 0.28 -0.73 0.00 0.00 179.01 178.83 3jx6 h VAL 610 N 0.94 1.33 -0.17 0.32 2.07 -1.05 -2.73 116.25 116.97 3jx6 h VAL 610 Ca 0.31 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 3jx6 h VAL 610 Cb 0.07 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3jx6 h VAL 610 CO -0.09 0.29 -0.03 0.00 0.02 0.00 0.00 177.57 177.76 3jx6 h ALA 611 N 0.38 1.64 0.51 1.67 0.00 -0.76 -1.16 119.26 121.55 3jx6 h ALA 611 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3jx6 h ALA 611 Cb 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3jx6 h ALA 611 CO 0.01 0.27 -0.51 0.87 0.00 0.00 0.00 179.25 179.89 3jx6 h LYS 612 N 0.24 -0.98 -0.04 0.00 1.57 -0.45 -1.85 116.57 115.05 3jx6 h LYS 612 Ca 0.06 0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3jx6 h LYS 612 Cb 0.22 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3jx6 h LYS 612 CO 0.01 -0.65 0.05 0.87 -0.57 0.00 0.00 179.45 179.15 3jx6 h LYS 613 N -1.02 0.00 -0.00 3.15 1.79 -1.06 0.36 116.57 119.79 3jx6 h LYS 613 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3jx6 h LYS 613 Cb 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 3jx6 h LYS 613 CO -0.06 0.00 -0.15 -1.33 -1.08 0.00 0.00 179.45 176.83 3jx6 n MET 614 N -3.87 0.31 -3.91 3.15 2.81 -0.50 -4.96 117.12 110.15 3jx6 n MET 614 Ca -0.02 -0.09 -0.28 0.00 -1.81 0.00 0.00 57.70 55.50 3jx6 n MET 614 Cb 0.14 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.16 3jx6 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx6 n ASP 615 N -1.26 -2.90 -4.79 7.83 4.64 0.13 -4.99 116.55 115.20 3jx6 n ASP 615 Ca 0.10 -0.86 -0.31 0.00 -1.38 0.00 0.00 54.79 52.35 3jx6 n ASP 615 Cb 0.31 -3.65 0.07 0.00 -1.04 0.00 0.00 41.12 36.81 3jx6 n ASP 615 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3jx6 s LEU 616 N -7.07 3.00 -0.58 -2.67 1.43 -0.94 -4.95 118.68 106.90 3jx6 s LEU 616 Ca 0.39 1.66 -0.28 0.00 -1.03 0.00 0.00 54.13 54.87 3jx6 s LEU 616 Cb -0.20 -4.42 0.02 0.00 0.03 0.00 0.00 46.19 41.62 3jx6 s LEU 616 CO 0.85 -1.78 1.37 -0.62 0.23 0.00 0.00 176.35 176.40 3jx6 s ASP 617 N -3.63 6.18 -0.07 2.29 3.68 -1.26 -4.86 116.67 119.00 3jx6 s ASP 617 Ca 0.60 0.20 0.20 0.00 2.13 0.00 0.00 52.55 55.68 3jx6 s ASP 617 Cb -0.15 -2.55 0.69 0.00 -1.45 0.00 0.00 42.92 39.46 3jx6 s ASP 617 CO 0.55 -1.68 1.60 0.23 0.13 0.00 0.00 175.17 176.00 3jx6 n MET 618 N 8.68 3.38 0.02 4.34 2.81 -1.26 -4.38 117.12 130.70 3jx6 n MET 618 Ca 0.11 -2.81 -0.19 0.00 -1.81 0.00 0.00 57.70 53.00 3jx6 n MET 618 Cb 0.49 -1.77 -0.11 0.00 -0.71 0.00 0.00 33.22 31.12 3jx6 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jx6 h ARG 619 N 4.14 0.51 -5.32 0.03 3.08 -2.04 -3.44 114.38 111.35 3jx6 h ARG 619 Ca 0.00 -0.57 -0.67 0.00 0.07 0.00 0.00 59.98 58.81 3jx6 h ARG 619 Cb 1.28 0.17 -0.33 0.00 0.08 0.00 0.00 29.97 31.17 3jx6 h ARG 619 CO 0.15 1.20 -0.88 -1.59 -1.07 0.00 0.00 179.97 177.78 3jx6 s LYS 620 N -3.19 2.94 0.61 0.04 -2.85 -1.26 -5.00 119.74 111.03 3jx6 s LYS 620 Ca -0.12 -0.85 0.31 0.00 -1.00 0.00 0.00 55.97 54.31 3jx6 s LYS 620 Cb 0.05 -2.23 1.72 0.00 -2.06 0.00 0.00 37.83 35.31 3jx6 s LYS 620 CO 0.86 0.18 2.08 1.79 0.10 0.00 0.00 175.35 180.36 3jx6 h THR 621 N 5.70 0.32 0.00 3.79 1.35 -1.89 -2.50 112.91 119.67 3jx6 h THR 621 Ca -0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3jx6 h THR 621 Cb 1.23 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3jx6 h THR 621 CO 0.47 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.20 3jx6 n SER 622 N -3.54 0.00 0.02 5.36 3.41 -1.26 -0.79 113.62 116.83 3jx6 n SER 622 Ca 0.01 -0.79 0.12 0.00 -0.26 0.00 0.00 58.87 57.95 3jx6 n SER 622 Cb 0.35 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.53 3jx6 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx6 n SER 623 N -0.92 0.55 -0.97 4.04 3.41 -0.94 -4.94 113.62 113.85 3jx6 n SER 623 Ca 0.14 -0.05 -0.08 0.00 -0.26 0.00 0.00 58.87 58.61 3jx6 n SER 623 Cb 0.06 0.18 -0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3jx6 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jx6 n LEU 624 N -1.76 -1.39 -0.27 1.04 4.77 0.03 -4.92 117.00 114.51 3jx6 n LEU 624 Ca 0.05 -0.01 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 3jx6 n LEU 624 Cb 0.38 -1.49 0.17 0.00 -2.33 0.00 0.00 43.42 40.15 3jx6 n LEU 624 CO 0.35 -0.09 1.09 4.11 -1.33 0.00 0.00 177.39 181.52 3jx6 h TRP 625 N 0.00 0.71 -0.61 -1.77 5.08 -1.81 -0.89 115.95 116.66 3jx6 h TRP 625 Ca -0.20 0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.79 3jx6 h TRP 625 Cb 1.15 -0.20 -0.03 0.00 -3.00 0.00 0.00 29.16 27.08 3jx6 h TRP 625 CO 0.23 0.23 0.35 0.87 -1.28 0.00 0.00 178.44 178.83 3jx6 h LYS 626 N 0.64 0.84 -0.59 0.12 1.57 -1.91 -1.72 116.57 115.51 3jx6 h LYS 626 Ca 0.40 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 3jx6 h LYS 626 Cb 0.47 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 3jx6 h LYS 626 CO -0.30 0.62 0.29 -0.44 -0.57 0.00 0.00 179.45 179.05 3jx6 h ASP 627 N 0.83 0.76 0.38 0.86 5.19 -1.64 -1.50 116.42 121.30 3jx6 h ASP 627 Ca 0.22 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 3jx6 h ASP 627 Cb 0.01 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.32 3jx6 h ASP 627 CO -0.04 0.67 -0.23 1.56 -3.12 0.00 0.00 179.24 178.08 3jx6 h GLN 628 N 0.80 -0.55 -0.90 3.56 4.20 -0.88 -2.43 115.11 118.91 3jx6 h GLN 628 Ca 0.20 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.97 3jx6 h GLN 628 Cb 0.10 0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 3jx6 h GLN 628 CO -0.03 -0.37 0.60 0.00 -0.67 0.00 0.00 178.83 178.36 3jx6 h ALA 629 N 0.02 1.39 -0.02 3.87 0.00 -1.31 -2.76 119.26 120.45 3jx6 h ALA 629 Ca -0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3jx6 h ALA 629 Cb 0.47 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3jx6 h ALA 629 CO 0.05 0.55 -0.04 1.25 0.00 0.00 0.00 179.25 181.06 3jx6 h LEU 630 N 1.19 -0.11 -0.85 0.00 5.85 -0.99 0.66 115.31 121.06 3jx6 h LEU 630 Ca 0.34 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.19 3jx6 h LEU 630 Cb -0.07 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 3jx6 h LEU 630 CO -0.09 -0.05 0.48 0.58 -0.34 0.00 0.00 178.44 179.02 3jx6 h VAL 631 N -0.06 0.88 -0.20 1.05 2.07 -1.24 -1.84 116.25 116.90 3jx6 h VAL 631 Ca 0.02 -0.27 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 3jx6 h VAL 631 Cb 0.09 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3jx6 h VAL 631 CO -0.06 0.14 -0.48 -0.33 0.02 0.00 0.00 177.57 176.86 3jx6 h GLU 632 N 0.78 0.54 -0.76 1.57 4.39 -1.04 0.43 114.58 120.49 3jx6 h GLU 632 Ca 0.42 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 3jx6 h GLU 632 Cb 0.43 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 3jx6 h GLU 632 CO -0.27 0.91 0.29 0.82 -1.16 0.00 0.00 179.01 179.60 3jx6 h ILE 633 N 0.43 1.26 0.00 3.13 2.04 -0.14 -1.04 117.51 123.19 3jx6 h ILE 633 Ca 0.02 -0.83 -0.14 0.00 1.00 0.00 0.00 64.86 64.91 3jx6 h ILE 633 Cb 1.00 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3jx6 h ILE 633 CO 0.09 0.33 -0.68 0.78 0.00 0.00 0.00 178.15 178.68 3jx6 h ASN 634 N 1.11 0.00 -0.40 1.72 2.35 -1.12 -2.39 115.58 116.85 3jx6 h ASN 634 Ca 0.25 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 3jx6 h ASN 634 Cb 0.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3jx6 h ASN 634 CO -0.02 0.68 -0.06 0.40 -1.65 0.00 0.00 177.43 176.78 3jx6 h ILE 635 N 0.00 1.25 -0.54 2.81 2.04 -0.52 -2.73 117.51 119.82 3jx6 h ILE 635 Ca -0.01 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 3jx6 h ILE 635 Cb 1.22 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 3jx6 h ILE 635 CO 0.09 0.39 0.08 0.00 0.00 0.00 0.00 178.15 178.71 3jx6 h ALA 636 N 1.17 1.12 0.09 1.87 0.00 -0.72 -1.36 119.26 121.43 3jx6 h ALA 636 Ca 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3jx6 h ALA 636 Cb 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3jx6 h ALA 636 CO 0.03 0.58 -0.04 0.28 0.00 0.00 0.00 179.25 180.09 3jx6 h VAL 637 N 0.82 1.15 -0.67 0.00 2.07 -1.37 -1.36 116.25 116.90 3jx6 h VAL 637 Ca 0.17 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.61 3jx6 h VAL 637 Cb 0.38 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 3jx6 h VAL 637 CO 0.01 0.27 0.39 -0.07 0.02 0.00 0.00 177.57 178.18 3jx6 h LEU 638 N -0.67 0.60 -0.43 2.57 3.38 -1.48 -2.07 115.31 117.22 3jx6 h LEU 638 Ca -0.01 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3jx6 h LEU 638 Cb 0.53 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3jx6 h LEU 638 CO 0.02 0.40 0.28 0.22 0.09 0.00 0.00 178.44 179.45 3jx6 h TYR 639 N 0.73 0.53 -0.21 1.13 3.20 -1.24 -1.19 116.97 119.93 3jx6 h TYR 639 Ca 0.29 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 3jx6 h TYR 639 Cb 0.12 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3jx6 h TYR 639 CO -0.07 0.33 -0.08 0.77 -1.64 0.00 0.00 178.16 177.47 3jx6 h SER 640 N 0.58 0.44 -0.06 -2.11 0.02 -0.95 -0.39 113.55 111.08 3jx6 h SER 640 Ca 0.16 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3jx6 h SER 640 Cb -0.05 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3jx6 h SER 640 CO -0.04 0.73 0.03 -0.26 -1.14 0.00 0.00 176.83 176.16 3jx6 h PHE 641 N 0.14 0.07 -0.91 3.45 -1.00 -1.36 -1.46 116.94 115.87 3jx6 h PHE 641 Ca 0.05 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.88 3jx6 h PHE 641 Cb 0.56 -0.02 -0.06 0.00 3.61 0.00 0.00 35.95 40.04 3jx6 h PHE 641 CO 0.06 0.09 0.58 1.96 -1.61 0.00 0.00 178.31 179.38 3jx6 h GLN 642 N 0.04 1.05 -0.12 1.51 4.20 -1.13 0.21 115.11 120.87 3jx6 h GLN 642 Ca 0.02 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 3jx6 h GLN 642 Cb 0.03 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3jx6 h GLN 642 CO -0.00 0.70 -0.38 0.77 -0.67 0.00 0.00 178.83 179.24 3jx6 h SER 643 N 1.09 0.26 0.16 1.46 0.02 -0.74 -2.33 113.55 113.46 3jx6 h SER 643 Ca 0.38 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 3jx6 h SER 643 Cb 0.09 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3jx6 h SER 643 CO -0.15 0.63 -0.34 0.47 -1.14 0.00 0.00 176.83 176.30 3jx6 n ASP 644 N -4.05 1.34 -2.13 3.07 8.00 -0.58 -4.97 116.55 117.23 3jx6 n ASP 644 Ca -0.01 -1.09 -0.10 0.00 0.71 0.00 0.00 54.79 54.30 3jx6 n ASP 644 Cb 0.46 0.26 0.04 0.00 -0.02 0.00 0.00 41.12 41.86 3jx6 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx6 n LYS 645 N -0.47 -3.65 -3.96 -1.24 5.02 0.63 -5.02 118.16 109.47 3jx6 n LYS 645 Ca 0.11 0.42 -0.35 0.00 -2.02 0.00 0.00 58.31 56.47 3jx6 n LYS 645 Cb 0.39 -4.19 -0.14 0.00 -0.02 0.00 0.00 35.03 31.07 3jx6 n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jx6 s VAL 646 N -3.17 3.56 0.27 -0.18 1.01 -0.62 -4.28 120.40 116.98 3jx6 s VAL 646 Ca 0.15 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 3jx6 s VAL 646 Cb -0.06 -2.62 -0.14 0.00 0.00 0.00 0.00 36.38 33.55 3jx6 s VAL 646 CO 0.36 0.42 1.05 0.41 0.00 0.00 0.00 175.10 177.35 3jx6 n THR 647 N 4.66 1.76 -3.52 3.92 -1.04 -0.35 -4.41 114.28 115.30 3jx6 n THR 647 Ca -0.18 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.05 61.28 3jx6 n THR 647 Cb 0.51 -0.99 -0.04 0.00 -1.82 0.00 0.00 70.33 67.99 3jx6 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx6 s ILE 648 N -0.87 0.00 -0.02 12.58 2.07 -1.26 -4.49 121.20 129.21 3jx6 s ILE 648 Ca 0.61 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.88 3jx6 s ILE 648 Cb -0.72 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 40.87 3jx6 s ILE 648 CO 0.58 0.00 -0.08 0.54 -1.91 0.00 0.00 174.94 174.07 3jx6 s VAL 649 N -2.31 0.71 0.80 4.00 0.11 -0.91 -5.00 120.40 117.79 3jx6 s VAL 649 Ca -0.00 -0.34 -0.12 0.00 -2.93 0.00 0.00 61.98 58.59 3jx6 s VAL 649 Cb -0.01 -0.62 0.07 0.00 -1.53 0.00 0.00 36.38 34.29 3jx6 s VAL 649 CO -0.03 0.22 1.14 1.51 -3.33 0.00 0.00 175.10 174.61 3jx6 s ASP 650 N 0.07 4.60 0.39 3.54 -4.77 -1.26 -0.89 116.67 118.35 3jx6 s ASP 650 Ca -0.01 0.95 0.21 0.00 -3.30 0.00 0.00 52.55 50.40 3jx6 s ASP 650 Cb -0.07 -1.55 0.51 0.00 -1.09 0.00 0.00 42.92 40.73 3jx6 s ASP 650 CO 0.00 -1.86 1.65 1.12 0.70 0.00 0.00 175.17 176.78 3jx6 h HIS 651 N -1.02 0.00 0.52 2.11 2.07 -1.98 -1.89 115.15 114.95 3jx6 h HIS 651 Ca -0.46 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.03 3jx6 h HIS 651 Cb 1.30 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.29 3jx6 h HIS 651 CO 0.37 0.26 -0.25 0.45 -3.07 0.00 0.00 177.93 175.69 3jx6 h HIS 652 N 0.00 -0.65 -0.66 6.12 3.86 -1.96 -2.35 115.15 119.51 3jx6 h HIS 652 Ca -0.00 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 3jx6 h HIS 652 Cb 1.02 0.21 -0.08 0.00 1.06 0.00 0.00 27.41 29.62 3jx6 h HIS 652 CO 0.00 -0.33 0.23 1.03 0.86 0.00 0.00 177.93 179.72 3jx6 h SER 653 N -1.08 0.19 -0.55 2.45 0.87 -1.97 -1.82 113.55 111.64 3jx6 h SER 653 Ca -0.07 0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 3jx6 h SER 653 Cb 0.60 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 3jx6 h SER 653 CO 0.12 0.10 0.14 0.00 -0.53 0.00 0.00 176.83 176.66 3jx6 h ALA 654 N 1.48 0.73 -0.08 6.23 0.00 -1.37 -1.06 119.26 125.19 3jx6 h ALA 654 Ca 0.35 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.82 3jx6 h ALA 654 Cb 0.48 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3jx6 h ALA 654 CO -0.36 0.42 -0.85 1.79 0.00 0.00 0.00 179.25 180.24 3jx6 h THR 655 N 0.78 1.32 -0.81 0.00 1.35 -1.20 0.48 112.91 114.83 3jx6 h THR 655 Ca 0.17 -2.15 -0.01 0.00 -0.55 0.00 0.00 66.41 63.87 3jx6 h THR 655 Cb 0.33 2.17 -0.04 0.00 -1.73 0.00 0.00 68.15 68.88 3jx6 h THR 655 CO -0.00 0.66 0.47 -0.08 -0.25 0.00 0.00 175.52 176.32 3jx6 h GLU 656 N 0.40 1.12 -0.69 4.72 4.81 -1.32 -0.83 114.58 122.79 3jx6 h GLU 656 Ca -0.07 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3jx6 h GLU 656 Cb 1.48 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 3jx6 h GLU 656 CO 0.16 0.81 0.42 0.77 -0.73 0.00 0.00 179.01 180.44 3jx6 h SER 657 N 1.12 0.84 -0.32 1.04 0.02 -1.01 -2.79 113.55 112.45 3jx6 h SER 657 Ca 0.29 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 3jx6 h SER 657 Cb -0.01 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3jx6 h SER 657 CO -0.05 0.65 -0.09 0.15 -1.14 0.00 0.00 176.83 176.35 3jx6 h PHE 658 N 0.95 0.81 -0.07 3.45 3.57 -0.32 -1.06 116.94 124.26 3jx6 h PHE 658 Ca 0.25 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3jx6 h PHE 658 Cb -0.03 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 3jx6 h PHE 658 CO -0.01 0.80 0.04 0.82 -2.23 0.00 0.00 178.31 177.73 3jx6 h ILE 659 N 0.68 1.06 -0.82 1.41 1.08 -1.04 0.16 117.51 120.03 3jx6 h ILE 659 Ca 0.12 -0.15 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 3jx6 h ILE 659 Cb 0.55 1.04 -0.05 0.00 -3.07 0.00 0.00 36.82 35.28 3jx6 h ILE 659 CO 0.03 0.05 0.52 0.11 -0.69 0.00 0.00 178.15 178.17 3jx6 h LYS 660 N 0.05 0.95 -0.08 2.37 1.57 -1.35 -1.61 116.57 118.47 3jx6 h LYS 660 Ca 0.02 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3jx6 h LYS 660 Cb 0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3jx6 h LYS 660 CO -0.00 0.63 -0.03 1.25 -0.57 0.00 0.00 179.45 180.73 3jx6 h HIS 661 N 0.98 -0.06 -0.82 -1.35 2.76 -0.89 -1.50 115.15 114.27 3jx6 h HIS 661 Ca 0.34 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.53 3jx6 h HIS 661 Cb 0.08 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 3jx6 h HIS 661 CO -0.03 -0.05 0.54 1.98 -1.30 0.00 0.00 177.93 179.07 3jx6 h MET 662 N -0.01 1.09 -0.37 5.26 1.85 -0.40 -0.65 114.93 121.71 3jx6 h MET 662 Ca 0.04 -0.07 -0.14 0.00 -0.61 0.00 0.00 59.70 58.93 3jx6 h MET 662 Cb 0.08 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 31.86 3jx6 h MET 662 CO -0.09 0.73 -0.31 0.93 -0.40 0.00 0.00 176.91 177.76 3jx6 h GLU 663 N 1.12 0.81 -0.35 0.39 5.08 -1.13 -2.18 114.58 118.32 3jx6 h GLU 663 Ca 0.30 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3jx6 h GLU 663 Cb -0.12 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3jx6 h GLU 663 CO -0.06 1.01 0.08 -0.97 -1.00 0.00 0.00 179.01 178.07 3jx6 h ASN 664 N 0.68 0.53 -0.82 1.42 -1.24 -0.71 -2.31 115.58 113.14 3jx6 h ASN 664 Ca 0.07 -0.23 0.12 0.00 0.71 0.00 0.00 56.30 56.97 3jx6 h ASN 664 Cb 0.86 -0.14 -0.08 0.00 0.73 0.00 0.00 38.32 39.69 3jx6 h ASN 664 CO 0.08 0.63 0.43 -0.33 -1.29 0.00 0.00 177.43 176.95 3jx6 h GLU 665 N 0.41 0.65 0.00 6.67 4.39 -1.08 -1.06 114.58 124.56 3jx6 h GLU 665 Ca 0.11 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 3jx6 h GLU 665 Cb 0.31 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3jx6 h GLU 665 CO 0.00 0.43 -0.18 1.88 -1.16 0.00 0.00 179.01 179.99 3jx6 h TYR 666 N 0.67 0.00 0.02 4.33 -1.99 -0.86 0.33 116.97 119.47 3jx6 h TYR 666 Ca 0.42 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.15 3jx6 h TYR 666 Cb 0.51 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.24 3jx6 h TYR 666 CO -0.09 0.18 -0.01 0.00 -0.00 0.00 0.00 178.16 178.24 3jx6 h ARG 667 N 0.00 -0.02 0.00 4.88 3.08 -0.87 -2.91 114.38 118.54 3jx6 h ARG 667 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3jx6 h ARG 667 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3jx6 h ARG 667 CO 0.02 0.59 -0.75 0.00 -1.07 0.00 0.00 179.97 178.76 3jx6 n ARG 669 N -3.32 4.59 -1.41 0.00 0.63 0.11 -5.02 116.66 112.25 3jx6 n ARG 669 Ca 0.01 -0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.89 3jx6 n ARG 669 Cb 0.82 -0.72 -0.02 0.00 0.45 0.00 0.00 32.46 33.00 3jx6 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx6 n GLY 670 N 1.43 0.59 0.00 5.14 0.00 -0.77 -4.51 105.19 107.06 3jx6 n GLY 670 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3jx6 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx6 n GLY 671 N -2.02 2.42 2.96 -0.02 0.00 -1.15 -0.09 105.19 107.29 3jx6 n GLY 671 Ca -0.05 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 3jx6 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx6 s PRO 673 N 2.24 4.12 -0.16 0.00 0.04 -1.26 -4.63 135.00 135.36 3jx6 s PRO 673 Ca 0.12 2.58 -0.10 0.00 0.04 0.00 0.00 61.00 63.65 3jx6 s PRO 673 Cb -0.11 -3.03 0.05 0.00 0.04 0.00 0.00 34.50 31.45 3jx6 s PRO 673 CO -0.21 -0.65 0.38 0.00 0.04 0.00 0.00 177.00 176.56 3jx6 s ALA 674 N 0.19 -0.96 -0.42 8.56 0.00 -0.30 -4.27 121.76 124.56 3jx6 s ALA 674 Ca 0.65 1.35 -0.10 0.00 0.00 0.00 0.00 51.96 53.86 3jx6 s ALA 674 Cb -0.48 -0.82 0.07 0.00 0.00 0.00 0.00 23.12 21.89 3jx6 s ALA 674 CO 0.45 -0.24 0.27 0.34 0.00 0.00 0.00 175.76 176.58 3jx6 s ASP 675 N 1.09 5.70 0.15 0.00 -1.08 0.15 -3.49 116.67 119.18 3jx6 s ASP 675 Ca -0.07 -1.42 -0.18 0.00 -0.52 0.00 0.00 52.55 50.36 3jx6 s ASP 675 Cb -0.07 -2.01 0.03 0.00 -1.46 0.00 0.00 42.92 39.41 3jx6 s ASP 675 CO -0.09 -0.53 1.73 -0.25 0.52 0.00 0.00 175.17 176.55 3jx6 h TRP 676 N 8.44 0.06 -1.07 -5.34 7.01 -1.93 -0.17 115.95 122.97 3jx6 h TRP 676 Ca -0.24 0.02 0.30 0.00 2.11 0.00 0.00 58.89 61.08 3jx6 h TRP 676 Cb 1.09 0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 28.10 3jx6 h TRP 676 CO 0.61 -0.00 0.74 0.28 -2.79 0.00 0.00 178.44 177.28 3jx6 h VAL 677 N 0.14 0.49 0.01 2.65 2.07 -1.93 -0.74 116.25 118.94 3jx6 h VAL 677 Ca 0.14 -0.05 -0.38 0.00 0.82 0.00 0.00 66.70 67.24 3jx6 h VAL 677 Cb 0.16 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 3jx6 h VAL 677 CO -0.20 0.03 -2.36 0.79 0.02 0.00 0.00 177.57 175.84 3jx6 n TRP 678 N -4.36 0.18 -0.21 1.57 7.02 -0.52 -4.47 117.44 116.65 3jx6 n TRP 678 Ca 0.24 0.05 -0.07 0.00 -1.02 0.00 0.00 57.50 56.69 3jx6 n TRP 678 Cb 1.05 -1.03 0.07 0.00 -2.42 0.00 0.00 31.31 28.98 3jx6 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jx6 h ILE 679 N 0.01 1.26 -2.88 -0.99 1.08 -0.52 -3.42 117.51 112.04 3jx6 h ILE 679 Ca -0.54 -1.05 -0.55 0.00 -0.39 0.00 0.00 64.86 62.34 3jx6 h ILE 679 Cb 2.03 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 3jx6 h ILE 679 CO -0.02 0.39 0.86 -0.69 -0.69 0.00 0.00 178.15 178.00 3jx6 s VAL 680 N -5.14 3.76 0.76 1.67 1.01 -0.34 -4.93 120.40 117.20 3jx6 s VAL 680 Ca -0.11 1.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.85 3jx6 s VAL 680 Cb 0.14 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.87 3jx6 s VAL 680 CO 0.84 -0.02 1.14 -2.84 0.00 0.00 0.00 175.10 174.22 3jx6 s PRO 681 N 2.66 2.09 0.00 2.72 0.02 -1.26 -4.91 135.00 136.32 3jx6 s PRO 681 Ca 0.64 1.47 0.10 0.00 0.02 0.00 0.00 61.00 63.22 3jx6 s PRO 681 Cb -0.30 -1.86 0.42 0.00 0.02 0.00 0.00 34.50 32.78 3jx6 s PRO 681 CO 0.26 -1.81 1.30 -0.35 -0.33 0.00 0.00 177.00 176.06 3jx6 n PRO 682 N -3.18 1.31 -4.03 5.54 -0.04 -1.26 -4.30 135.00 129.04 3jx6 n PRO 682 Ca 0.11 -0.47 -0.09 0.00 -0.04 0.00 0.00 63.50 63.01 3jx6 n PRO 682 Cb 0.52 -1.19 -0.11 0.00 -0.04 0.00 0.00 33.50 32.68 3jx6 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx6 s MET 683 N -1.85 0.44 -1.42 0.54 0.23 -1.26 -4.95 119.30 111.03 3jx6 s MET 683 Ca 0.16 -0.83 -0.05 0.00 -1.03 0.00 0.00 55.69 53.95 3jx6 s MET 683 Cb 0.08 0.07 0.03 0.00 -1.53 0.00 0.00 34.83 33.48 3jx6 s MET 683 CO 0.12 -0.05 0.43 0.43 -2.03 0.00 0.00 175.02 173.92 3jx6 n SER 684 N 1.10 -5.01 -0.32 -1.18 7.64 -1.26 -4.89 113.62 109.71 3jx6 n SER 684 Ca -0.21 -0.23 -0.08 0.00 1.01 0.00 0.00 58.87 59.36 3jx6 n SER 684 Cb 0.57 -4.11 -0.08 0.00 -1.01 0.00 0.00 64.21 59.59 3jx6 n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jx6 n GLY 685 N -1.26 -2.72 0.04 0.23 0.00 -1.26 -2.53 105.19 97.68 3jx6 n GLY 685 Ca -0.10 1.05 0.11 0.00 0.00 0.00 0.00 46.02 47.07 3jx6 n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx6 n SER 686 N -4.72 0.21 -0.52 1.61 3.41 -1.26 -2.20 113.62 110.15 3jx6 n SER 686 Ca 0.02 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.25 3jx6 n SER 686 Cb 0.20 -0.59 0.31 0.00 -0.26 0.00 0.00 64.21 63.87 3jx6 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx6 n ILE 687 N -1.72 0.27 -4.48 -1.33 -5.35 -1.05 -4.78 119.36 100.91 3jx6 n ILE 687 Ca 0.04 -0.35 -0.33 0.00 -0.27 0.00 0.00 62.75 61.85 3jx6 n ILE 687 Cb 0.26 0.27 -0.10 0.00 -1.74 0.00 0.00 39.64 38.32 3jx6 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx6 s THR 688 N -1.73 3.72 0.38 7.28 -4.23 -0.94 -5.05 115.64 115.07 3jx6 s THR 688 Ca 0.28 -0.68 0.30 0.00 -1.18 0.00 0.00 61.69 60.41 3jx6 s THR 688 Cb 0.15 -2.60 0.32 0.00 1.34 0.00 0.00 72.50 71.71 3jx6 s THR 688 CO 0.22 0.44 2.07 1.55 -0.54 0.00 0.00 174.62 178.36 3jx6 h PRO 689 N 4.68 0.00 0.00 3.99 0.13 -1.86 -2.80 132.00 136.14 3jx6 h PRO 689 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 3jx6 h PRO 689 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jx6 h PRO 689 CO 0.54 0.10 -0.22 -0.39 -0.23 0.00 0.00 178.00 177.79 3jx6 h VAL 690 N 0.00 1.03 -0.94 1.56 -1.51 -1.89 -2.91 116.25 111.59 3jx6 h VAL 690 Ca -0.00 -0.80 0.16 0.00 -1.23 0.00 0.00 66.70 64.83 3jx6 h VAL 690 Cb 0.35 1.45 -0.08 0.00 -2.13 0.00 0.00 31.29 30.88 3jx6 h VAL 690 CO 0.01 0.22 0.60 0.15 -1.23 0.00 0.00 177.57 177.32 3jx6 h PHE 691 N 0.00 0.89 -0.02 5.19 3.57 -1.70 -0.36 116.94 124.50 3jx6 h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3jx6 h PHE 691 Cb 0.43 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3jx6 h PHE 691 CO 0.00 0.28 -0.03 0.72 -2.23 0.00 0.00 178.31 177.05 3jx6 n HIS 692 N -4.62 0.00 -3.05 0.41 8.25 -1.10 -4.81 115.22 110.30 3jx6 n HIS 692 Ca 0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.24 3jx6 n HIS 692 Cb 0.52 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.56 3jx6 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx6 s GLN 693 N -2.05 3.82 0.36 -0.41 2.00 -0.15 -1.24 119.66 121.99 3jx6 s GLN 693 Ca 0.33 0.28 -0.28 0.00 -2.00 0.00 0.00 55.36 53.69 3jx6 s GLN 693 Cb 0.20 -3.77 -0.10 0.00 0.80 0.00 0.00 33.01 30.15 3jx6 s GLN 693 CO 0.34 -0.69 1.37 -1.21 -0.50 0.00 0.00 175.29 174.61 3jx6 s GLU 694 N 2.79 4.19 0.03 1.67 2.02 -0.59 -5.01 118.70 123.80 3jx6 s GLU 694 Ca 0.27 2.34 -0.00 0.00 0.02 0.00 0.00 54.97 57.61 3jx6 s GLU 694 Cb -0.14 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 3jx6 s GLU 694 CO 0.14 -0.38 -0.04 -1.64 0.02 0.00 0.00 175.26 173.36 3jx6 s MET 695 N -1.99 0.44 -0.14 1.61 -1.94 -1.26 -4.68 119.30 111.35 3jx6 s MET 695 Ca 0.52 -0.84 0.02 0.00 -1.71 0.00 0.00 55.69 53.67 3jx6 s MET 695 Cb -0.42 0.09 0.01 0.00 2.01 0.00 0.00 34.83 36.53 3jx6 s MET 695 CO 0.56 -0.06 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.81 3jx6 s LEU 696 N -1.99 1.96 -0.16 -0.03 1.43 -1.25 -4.96 118.68 113.68 3jx6 s LEU 696 Ca -0.07 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 3jx6 s LEU 696 Cb -0.04 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 3jx6 s LEU 696 CO -0.04 0.03 -0.01 0.21 0.23 0.00 0.00 176.35 176.77 3jx6 s ASN 697 N 1.02 4.98 0.15 2.29 3.04 -1.23 -1.15 114.94 124.05 3jx6 s ASN 697 Ca -0.03 -0.09 -0.24 0.00 0.04 0.00 0.00 52.86 52.54 3jx6 s ASN 697 Cb -0.15 -1.82 0.06 0.00 -1.54 0.00 0.00 41.25 37.80 3jx6 s ASN 697 CO -0.05 0.17 0.77 -0.72 -3.04 0.00 0.00 177.10 174.22 3jx6 s TYR 698 N 0.39 -0.33 -0.24 0.43 -0.85 -1.26 -4.96 117.35 110.53 3jx6 s TYR 698 Ca -0.02 0.06 -0.08 0.00 -0.52 0.00 0.00 57.07 56.51 3jx6 s TYR 698 Cb -0.14 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.77 3jx6 s TYR 698 CO 0.02 -0.87 0.09 1.03 -1.52 0.00 0.00 175.55 174.30 3jx6 s ARG 699 N -3.56 3.77 0.15 -3.49 0.52 -1.26 -4.80 118.95 110.29 3jx6 s ARG 699 Ca 0.07 -0.42 0.08 0.00 -0.52 0.00 0.00 55.73 54.94 3jx6 s ARG 699 Cb -0.02 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 3jx6 s ARG 699 CO -0.04 -0.08 -0.11 -0.51 0.02 0.00 0.00 175.30 174.57 3jx6 s LEU 700 N 1.35 2.94 0.12 2.53 1.43 -1.26 -2.96 118.68 122.83 3jx6 s LEU 700 Ca 0.05 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.68 3jx6 s LEU 700 Cb -0.15 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3jx6 s LEU 700 CO 0.04 0.13 -0.00 0.42 0.23 0.00 0.00 176.35 177.17 3jx6 s THR 701 N -1.49 3.88 0.85 5.49 -4.23 -1.26 -4.21 115.64 114.68 3jx6 s THR 701 Ca 0.23 -1.16 -0.14 0.00 -1.18 0.00 0.00 61.69 59.44 3jx6 s THR 701 Cb -0.10 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 70.89 3jx6 s THR 701 CO 0.14 0.03 0.69 -2.65 -0.54 0.00 0.00 174.62 172.29 3jx6 n PRO 702 N 0.31 -0.02 -3.78 3.99 -0.02 -1.26 -4.99 135.00 129.23 3jx6 n PRO 702 Ca -0.11 0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.33 3jx6 n PRO 702 Cb 0.53 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.94 3jx6 n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jx6 s SER 703 N -1.93 -0.22 -0.20 2.55 1.04 -0.80 -3.92 113.70 110.22 3jx6 s SER 703 Ca 0.64 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 3jx6 s SER 703 Cb -0.27 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 3jx6 s SER 703 CO 0.60 -1.05 -0.01 -0.36 0.98 0.00 0.00 173.24 173.39 3jx6 s PHE 704 N -3.90 3.01 0.11 5.02 0.40 -1.26 -0.77 117.98 120.61 3jx6 s PHE 704 Ca 0.11 -0.54 0.10 0.00 -0.60 0.00 0.00 56.93 56.01 3jx6 s PHE 704 Cb -0.01 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 3jx6 s PHE 704 CO -0.01 -0.28 -0.26 -1.21 0.70 0.00 0.00 175.22 174.16 3jx6 s GLU 705 N 1.03 1.54 0.49 0.44 0.41 0.61 -4.91 118.70 118.30 3jx6 s GLU 705 Ca 0.01 -1.27 -0.21 0.00 -0.41 0.00 0.00 54.97 53.09 3jx6 s GLU 705 Cb -0.14 -1.95 -0.07 0.00 -1.78 0.00 0.00 34.13 30.19 3jx6 s GLU 705 CO 0.01 0.47 1.11 0.00 -0.49 0.00 0.00 175.26 176.36 3jx6 s ALA 706 N -1.02 2.86 0.08 5.21 0.00 -1.26 -0.39 121.76 127.23 3jx6 s ALA 706 Ca 0.14 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.90 3jx6 s ALA 706 Cb -0.10 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3jx6 s ALA 706 CO 0.06 -0.56 -0.06 1.14 0.00 0.00 0.00 175.76 176.33 3jx6 s GLN 707 N -3.03 0.71 0.55 0.00 -2.07 -1.26 -4.83 119.66 109.74 3jx6 s GLN 707 Ca 0.67 -1.15 -0.19 0.00 -1.82 0.00 0.00 55.36 52.87 3jx6 s GLN 707 Cb -0.23 -0.17 -0.05 0.00 -1.09 0.00 0.00 33.01 31.47 3jx6 s GLN 707 CO 0.27 -0.01 1.14 -1.25 -1.32 0.00 0.00 175.29 174.12 3jx6 s PRO 708 N -3.19 3.29 0.34 9.60 0.04 -1.26 -4.94 135.00 138.88 3jx6 s PRO 708 Ca 0.05 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 3jx6 s PRO 708 Cb 0.01 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 3jx6 s PRO 708 CO -0.04 -0.91 1.48 -0.51 0.04 0.00 0.00 177.00 177.05 3jx6 s ASP 709 N -1.75 6.45 0.49 6.66 1.01 -1.26 -4.91 116.67 123.35 3jx6 s ASP 709 Ca 0.73 2.94 0.26 0.00 0.71 0.00 0.00 52.55 57.19 3jx6 s ASP 709 Cb -0.25 -2.65 1.22 0.00 1.01 0.00 0.00 42.92 42.25 3jx6 s ASP 709 CO 0.28 -0.81 1.97 -0.65 0.21 0.00 0.00 175.17 176.17 3jx6 h PRO 710 N 3.61 0.00 0.00 8.23 0.11 -1.92 -2.18 132.00 139.86 3jx6 h PRO 710 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jx6 h PRO 710 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3jx6 h PRO 710 CO 0.69 0.17 0.00 0.11 -0.21 0.00 0.00 178.00 178.76 3jx6 h TRP 711 N 0.00 0.00 0.00 0.65 0.09 -1.94 0.40 115.95 115.14 3jx6 h TRP 711 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 58.89 58.84 3jx6 h TRP 711 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.73 3jx6 h TRP 711 CO 0.00 0.00 -0.66 -0.91 0.09 0.00 0.00 178.44 176.96 3jx6 h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -1.77 -3.39 115.58 112.88 3jx6 h ASN 712 Ca 0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 3jx6 h ASN 712 Cb 0.53 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 3jx6 h ASN 712 CO 0.00 0.66 -1.46 0.35 -1.65 0.00 0.00 177.43 175.34 3jx6 n THR 713 N -3.33 0.36 -1.86 2.81 -2.24 -0.74 -5.05 114.28 104.23 3jx6 n THR 713 Ca 0.01 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 3jx6 n THR 713 Cb 0.77 -0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 3jx6 n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3jx6 s HIS 714 N -2.27 2.77 -0.59 4.78 5.65 0.13 -4.96 115.29 120.80 3jx6 s HIS 714 Ca -0.03 1.03 -0.21 0.00 0.25 0.00 0.00 55.06 56.10 3jx6 s HIS 714 Cb 0.03 -3.97 0.08 0.00 -1.18 0.00 0.00 32.58 27.54 3jx6 s HIS 714 CO 0.30 -3.03 0.79 0.08 -0.65 0.00 0.00 174.74 172.23 3jx6 s VAL 715 N -0.54 4.64 0.14 0.89 1.01 -1.26 -5.00 120.40 120.28 3jx6 s VAL 715 Ca 0.57 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 3jx6 s VAL 715 Cb -0.45 -4.51 -0.10 0.00 0.00 0.00 0.00 36.38 31.32 3jx6 s VAL 715 CO 0.53 -1.16 1.60 0.26 0.00 0.00 0.00 175.10 176.33 3jx6 s TRP 716 N 3.21 2.87 -1.28 5.22 0.52 -1.26 -4.88 118.94 123.35 3jx6 s TRP 716 Ca 0.17 0.53 0.23 0.00 0.02 0.00 0.00 56.10 57.05 3jx6 s TRP 716 Cb -0.20 -3.95 0.14 0.00 -1.15 0.00 0.00 33.47 28.32 3jx6 s TRP 716 CO 0.10 -3.59 1.17 1.63 0.02 0.00 0.00 176.95 176.28 3jx6 n LYS 717 N 4.43 0.32 -0.41 4.98 5.02 -1.26 -5.11 118.16 126.12 3jx6 n LYS 717 Ca 0.14 -0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 3jx6 n LYS 717 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3jx6 n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29