#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx2 s PHE 300 N 0.00 1.00 -0.14 -0.14 0.40 -1.26 -4.70 117.98 113.13 3jx2 s PHE 300 Ca 0.00 -0.99 -0.11 0.00 -0.60 0.00 0.00 56.93 55.22 3jx2 s PHE 300 Cb 0.00 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.36 3jx2 s PHE 300 CO 0.00 -0.69 0.23 -0.51 0.70 0.00 0.00 175.22 174.95 3jx2 s LEU 301 N 1.87 4.29 -0.04 -0.37 1.43 -0.77 -4.89 118.68 120.20 3jx2 s LEU 301 Ca 0.03 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.59 3jx2 s LEU 301 Cb -0.17 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 3jx2 s LEU 301 CO -0.15 0.21 0.05 -0.54 0.23 0.00 0.00 176.35 176.15 3jx2 s LYS 302 N -0.06 3.03 -0.05 1.70 1.02 -1.26 0.12 119.74 124.24 3jx2 s LYS 302 Ca 0.15 -0.45 0.05 0.00 0.02 0.00 0.00 55.97 55.74 3jx2 s LYS 302 Cb -0.13 -2.84 -0.00 0.00 -0.52 0.00 0.00 37.83 34.34 3jx2 s LYS 302 CO 0.03 0.67 -0.20 0.14 -0.92 0.00 0.00 175.35 175.08 3jx2 s VAL 303 N -1.06 1.63 -0.07 3.17 -7.23 0.28 -4.97 120.40 112.15 3jx2 s VAL 303 Ca 0.18 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.55 3jx2 s VAL 303 Cb -0.12 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 3jx2 s VAL 303 CO 0.09 0.46 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.49 3jx2 s LYS 304 N 0.03 2.73 -0.24 4.82 2.20 -1.26 -0.34 119.74 127.68 3jx2 s LYS 304 Ca -0.05 -0.61 -0.12 0.00 -0.36 0.00 0.00 55.97 54.83 3jx2 s LYS 304 Cb -0.13 -2.53 -0.05 0.00 -1.51 0.00 0.00 37.83 33.62 3jx2 s LYS 304 CO 0.03 0.61 0.23 1.21 -0.36 0.00 0.00 175.35 177.06 3jx2 s ASN 305 N -0.67 6.18 0.00 1.43 3.84 -0.17 -1.75 114.94 123.81 3jx2 s ASN 305 Ca 0.10 0.19 0.27 0.00 0.21 0.00 0.00 52.86 53.63 3jx2 s ASN 305 Cb -0.11 -2.14 0.87 0.00 -0.55 0.00 0.00 41.25 39.32 3jx2 s ASN 305 CO 0.01 0.01 1.65 0.79 -2.79 0.00 0.00 177.10 176.77 3jx2 n TRP 306 N 4.47 0.00 0.10 0.43 7.02 0.00 0.23 117.44 129.70 3jx2 n TRP 306 Ca -0.13 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.12 3jx2 n TRP 306 Cb 0.52 -0.23 -0.15 0.00 -2.42 0.00 0.00 31.31 29.02 3jx2 n TRP 306 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3jx2 h GLU 307 N 0.46 0.43 0.00 -0.99 4.39 -1.95 -3.42 114.58 113.50 3jx2 h GLU 307 Ca 0.00 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 58.97 3jx2 h GLU 307 Cb 0.46 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3jx2 h GLU 307 CO 0.00 1.35 -1.02 0.25 -1.16 0.00 0.00 179.01 178.43 3jx2 n THR 308 N -3.91 0.00 -0.90 1.13 -2.24 -1.22 -5.00 114.28 102.14 3jx2 n THR 308 Ca -0.16 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3jx2 n THR 308 Cb 0.97 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3jx2 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx2 n ASP 309 N -1.58 -3.53 -4.68 3.42 10.43 0.13 -4.97 116.55 115.77 3jx2 n ASP 309 Ca 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.94 3jx2 n ASP 309 Cb 0.25 -2.27 -0.03 0.00 1.84 0.00 0.00 41.12 40.91 3jx2 n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3jx2 s VAL 310 N -1.52 2.65 -0.22 2.53 1.01 -1.24 -4.75 120.40 118.86 3jx2 s VAL 310 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 3jx2 s VAL 310 Cb 0.00 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3jx2 s VAL 310 CO 0.00 -0.00 0.05 -0.69 0.00 0.00 0.00 175.10 174.46 3jx2 s VAL 311 N 3.08 4.35 0.09 2.92 1.01 -1.26 -1.00 120.40 129.58 3jx2 s VAL 311 Ca 0.82 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.68 3jx2 s VAL 311 Cb -0.45 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3jx2 s VAL 311 CO 0.37 0.38 -0.02 -0.76 0.00 0.00 0.00 175.10 175.08 3jx2 s LEU 312 N 1.19 3.40 -0.27 3.92 1.43 0.54 -4.95 118.68 123.93 3jx2 s LEU 312 Ca 0.04 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 3jx2 s LEU 312 Cb -0.14 -2.13 0.03 0.00 0.03 0.00 0.00 46.19 43.98 3jx2 s LEU 312 CO 0.03 0.18 -0.03 -0.89 0.23 0.00 0.00 176.35 175.88 3jx2 s THR 313 N -1.28 3.01 -0.22 5.49 2.01 -1.26 -0.56 115.64 122.83 3jx2 s THR 313 Ca 0.25 -1.13 -0.18 0.00 0.31 0.00 0.00 61.69 60.93 3jx2 s THR 313 Cb -0.12 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 3jx2 s THR 313 CO 0.17 0.07 0.53 -0.62 -0.69 0.00 0.00 174.62 174.08 3jx2 s ASP 314 N 1.31 6.54 -0.00 3.53 -1.08 0.32 -4.73 116.67 122.56 3jx2 s ASP 314 Ca -0.02 0.65 0.05 0.00 -0.52 0.00 0.00 52.55 52.71 3jx2 s ASP 314 Cb -0.18 -2.29 -0.05 0.00 -1.46 0.00 0.00 42.92 38.93 3jx2 s ASP 314 CO -0.03 -0.21 0.17 0.35 0.52 0.00 0.00 175.17 175.97 3jx2 n THR 315 N 4.71 0.00 0.15 1.71 -2.24 0.10 -1.84 114.28 116.87 3jx2 n THR 315 Ca -0.04 -0.32 0.04 0.00 -2.27 0.00 0.00 64.05 61.45 3jx2 n THR 315 Cb 0.50 0.85 0.06 0.00 -2.10 0.00 0.00 70.33 69.64 3jx2 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx2 h LEU 316 N 0.00 0.00 -2.60 3.22 5.85 -1.62 -2.97 115.31 117.19 3jx2 h LEU 316 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3jx2 h LEU 316 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3jx2 h LEU 316 CO 0.00 0.41 0.02 1.12 -0.34 0.00 0.00 178.44 179.66 3jx2 h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.85 -0.91 115.15 115.72 3jx2 h HIS 317 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jx2 h HIS 317 Cb 1.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.29 3jx2 h HIS 317 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3jx2 n LEU 318 N -2.89 0.08 -0.76 6.12 4.77 -1.12 -2.03 117.00 121.17 3jx2 n LEU 318 Ca -0.03 0.53 0.08 0.00 -0.03 0.00 0.00 56.01 56.56 3jx2 n LEU 318 Cb 0.08 -0.53 0.14 0.00 -2.33 0.00 0.00 43.42 40.78 3jx2 n LEU 318 CO 0.17 -0.47 0.59 0.29 -1.33 0.00 0.00 177.39 176.64 3jx2 n LYS 319 N -1.60 1.97 -2.49 3.23 4.76 -0.35 -4.98 118.16 118.71 3jx2 n LYS 319 Ca 0.01 -1.84 -0.42 0.00 -2.87 0.00 0.00 58.31 53.19 3jx2 n LYS 319 Cb 0.06 -1.34 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 3jx2 n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3jx2 s SER 320 N -1.16 7.15 -0.12 4.39 0.15 -0.86 -4.90 113.70 118.35 3jx2 s SER 320 Ca 0.25 1.93 -0.04 0.00 0.70 0.00 0.00 55.95 58.80 3jx2 s SER 320 Cb 0.15 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.82 3jx2 s SER 320 CO 0.21 -0.42 -0.14 0.35 1.20 0.00 0.00 173.24 174.44 3jx2 n THR 321 N 3.90 0.65 -1.17 6.45 -2.24 -1.24 -5.02 114.28 115.62 3jx2 n THR 321 Ca 0.08 -0.19 -0.34 0.00 -2.27 0.00 0.00 64.05 61.33 3jx2 n THR 321 Cb 0.47 -1.42 0.12 0.00 -2.10 0.00 0.00 70.33 67.41 3jx2 n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jx2 s LEU 322 N -6.33 3.18 0.24 3.22 1.43 -1.26 -5.00 118.68 114.16 3jx2 s LEU 322 Ca -0.16 2.41 -0.04 0.00 -1.03 0.00 0.00 54.13 55.31 3jx2 s LEU 322 Cb 0.06 -4.59 -0.05 0.00 0.03 0.00 0.00 46.19 41.63 3jx2 s LEU 322 CO 0.22 -2.63 0.47 -1.61 0.23 0.00 0.00 176.35 173.04 3jx2 s GLU 323 N -4.05 3.60 0.06 1.70 2.02 -1.26 -4.64 118.70 116.12 3jx2 s GLU 323 Ca 0.74 -0.12 0.20 0.00 0.02 0.00 0.00 54.97 55.82 3jx2 s GLU 323 Cb -0.30 -2.74 -0.16 0.00 0.10 0.00 0.00 34.13 31.03 3jx2 s GLU 323 CO 0.50 0.32 0.73 0.25 0.02 0.00 0.00 175.26 177.07 3jx2 n THR 324 N -0.67 0.68 0.00 3.63 -2.24 -1.26 -4.97 114.28 109.46 3jx2 n THR 324 Ca -0.03 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3jx2 n THR 324 Cb 0.53 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3jx2 n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jx2 n GLY 325 N 1.32 2.72 3.89 3.38 0.00 -1.26 -4.91 105.19 110.33 3jx2 n GLY 325 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3jx2 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx2 s THR 327 N -2.39 0.75 -0.25 0.00 -4.23 0.61 -4.98 115.64 105.16 3jx2 s THR 327 Ca 0.49 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.18 3jx2 s THR 327 Cb -0.10 -2.57 0.17 0.00 1.34 0.00 0.00 72.50 71.34 3jx2 s THR 327 CO 0.33 0.00 1.50 -0.62 -0.54 0.00 0.00 174.62 175.30 3jx2 n GLU 328 N -0.72 0.11 -0.00 3.99 4.71 -1.26 -2.61 120.64 124.86 3jx2 n GLU 328 Ca -0.03 0.60 0.04 0.00 -0.01 0.00 0.00 57.16 57.77 3jx2 n GLU 328 Cb 0.66 -1.93 -0.05 0.00 -1.01 0.00 0.00 31.44 29.10 3jx2 n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3jx2 n HIS 329 N -2.11 0.00 -3.68 -0.32 8.25 -1.26 -5.02 115.22 111.08 3jx2 n HIS 329 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 3jx2 n HIS 329 Cb 0.09 -0.05 -0.09 0.00 1.12 0.00 0.00 29.99 31.06 3jx2 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jx2 s ILE 330 N -2.01 -0.00 -0.21 1.59 2.07 -1.07 -5.14 121.20 116.41 3jx2 s ILE 330 Ca 0.02 0.02 -0.07 0.00 -1.41 0.00 0.00 60.65 59.21 3jx2 s ILE 330 Cb 0.06 -0.77 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 3jx2 s ILE 330 CO 0.36 0.01 0.05 0.00 -1.91 0.00 0.00 174.94 173.44 3jx2 n MET 332 N 4.32 2.71 0.22 0.00 0.00 -1.26 -4.75 117.12 118.36 3jx2 n MET 332 Ca -0.16 -3.00 0.16 0.00 0.00 0.00 0.00 57.70 54.69 3jx2 n MET 332 Cb 0.52 -1.92 0.65 0.00 0.00 0.00 0.00 33.22 32.47 3jx2 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jx2 h GLY 333 N 1.69 0.00 -0.91 3.03 0.00 -1.93 -1.42 103.07 103.53 3jx2 h GLY 333 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3jx2 h GLY 333 CO 0.40 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.80 3jx2 n SER 334 N -3.11 2.73 -4.70 0.19 3.41 -1.26 -4.80 113.62 106.07 3jx2 n SER 334 Ca 0.03 -2.11 -0.41 0.00 -0.26 0.00 0.00 58.87 56.12 3jx2 n SER 334 Cb 0.64 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 3jx2 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx2 s ILE 335 N -1.20 4.93 0.13 -1.33 -1.09 -0.54 -4.97 121.20 117.13 3jx2 s ILE 335 Ca 0.18 1.77 -0.15 0.00 -2.23 0.00 0.00 60.65 60.22 3jx2 s ILE 335 Cb 0.11 -4.19 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 3jx2 s ILE 335 CO 0.10 0.16 1.60 0.58 -1.23 0.00 0.00 174.94 176.15 3jx2 h VAL 336 N 4.86 1.25 -2.63 2.92 2.07 -1.93 -3.36 116.25 119.43 3jx2 h VAL 336 Ca -0.38 -0.91 -0.60 0.00 0.82 0.00 0.00 66.70 65.62 3jx2 h VAL 336 Cb 1.19 1.06 -0.41 0.00 -1.52 0.00 0.00 31.29 31.62 3jx2 h VAL 336 CO 0.77 0.31 -0.74 -0.11 0.02 0.00 0.00 177.57 177.82 3jx2 n LEU 337 N -4.50 1.91 -1.42 2.57 7.94 -1.26 -5.15 117.00 117.09 3jx2 n LEU 337 Ca -0.01 -4.97 -0.08 0.00 -1.11 0.00 0.00 56.01 49.84 3jx2 n LEU 337 Cb 0.25 -0.25 0.07 0.00 0.53 0.00 0.00 43.42 44.02 3jx2 n LEU 337 CO 0.40 1.87 0.77 -0.81 -1.11 0.00 0.00 177.39 178.50 3jx2 n PRO 338 N 1.96 1.47 -2.61 1.96 -0.04 -1.26 -5.21 135.00 131.26 3jx2 n PRO 338 Ca 0.24 -1.05 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 3jx2 n PRO 338 Cb 0.41 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3jx2 n PRO 338 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3jx2 n VAL 348 N -0.07 -1.07 -4.06 0.52 3.14 -1.26 -5.02 118.33 110.51 3jx2 n VAL 348 Ca 0.21 0.12 -0.31 0.00 -2.96 0.00 0.00 64.34 61.40 3jx2 n VAL 348 Cb 0.90 -2.20 -0.07 0.00 -1.06 0.00 0.00 33.84 31.42 3jx2 n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3jx2 s ARG 349 N -0.24 2.90 0.30 1.45 0.52 -1.26 -5.10 118.95 117.52 3jx2 s ARG 349 Ca 0.00 -0.67 -0.04 0.00 -0.52 0.00 0.00 55.73 54.49 3jx2 s ARG 349 Cb 0.00 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 3jx2 s ARG 349 CO 0.00 0.57 0.57 0.95 0.02 0.00 0.00 175.30 177.41 3jx2 s THR 350 N -1.37 5.02 0.35 0.02 -4.23 -1.26 -4.99 115.64 109.18 3jx2 s THR 350 Ca 0.29 0.02 0.15 0.00 -1.18 0.00 0.00 61.69 60.97 3jx2 s THR 350 Cb -0.12 -3.75 0.35 0.00 1.34 0.00 0.00 72.50 70.31 3jx2 s THR 350 CO 0.21 -0.37 1.69 0.11 -0.54 0.00 0.00 174.62 175.72 3jx2 h LYS 351 N 1.52 0.36 0.40 3.99 1.57 -1.96 -2.83 116.57 119.62 3jx2 h LYS 351 Ca -0.48 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 3jx2 h LYS 351 Cb 1.19 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 3jx2 h LYS 351 CO 0.65 0.24 -0.49 0.22 -0.57 0.00 0.00 179.45 179.51 3jx2 h ASP 352 N 0.38 -1.37 1.30 0.86 3.58 -1.98 -3.01 116.42 116.17 3jx2 h ASP 352 Ca 0.70 0.12 0.00 0.00 0.42 0.00 0.00 57.03 58.27 3jx2 h ASP 352 Cb 1.62 0.47 0.00 0.00 1.72 0.00 0.00 39.33 43.14 3jx2 h ASP 352 CO -0.52 -0.61 0.00 0.06 -2.88 0.00 0.00 179.24 175.29 3jx2 h GLN 353 N -0.91 0.00 -0.04 0.28 3.07 -1.92 -3.35 115.11 112.24 3jx2 h GLN 353 Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.62 3jx2 h GLN 353 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.37 3jx2 h GLN 353 CO -0.11 0.00 -0.27 1.25 0.09 0.00 0.00 178.83 179.79 3jx2 h LEU 354 N 0.00 0.30 -0.92 0.06 5.85 -1.38 -3.19 115.31 116.03 3jx2 h LEU 354 Ca 0.00 -0.69 -0.00 0.00 0.84 0.00 0.00 57.88 58.02 3jx2 h LEU 354 Cb 0.65 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3jx2 h LEU 354 CO 0.00 0.95 0.56 0.15 -0.34 0.00 0.00 178.44 179.76 3jx2 h PHE 355 N -0.32 1.21 -0.85 1.25 3.57 -1.70 0.06 116.94 120.16 3jx2 h PHE 355 Ca -0.02 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.57 3jx2 h PHE 355 Cb 0.96 -0.40 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 3jx2 h PHE 355 CO 0.15 0.80 0.50 -1.35 -2.23 0.00 0.00 178.31 176.17 3jx2 h PRO 356 N 1.27 0.82 -0.46 6.41 0.11 -1.78 0.26 132.00 138.63 3jx2 h PRO 356 Ca 0.33 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.30 3jx2 h PRO 356 Cb -0.07 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 3jx2 h PRO 356 CO -0.06 0.54 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.12 3jx2 h LEU 357 N 0.84 0.86 0.41 2.35 3.38 -1.35 -1.09 115.31 120.72 3jx2 h LEU 357 Ca 0.40 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3jx2 h LEU 357 Cb 0.34 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3jx2 h LEU 357 CO -0.24 1.01 -0.20 0.00 0.09 0.00 0.00 178.44 179.11 3jx2 h ALA 358 N 0.88 -0.55 -0.26 1.53 0.00 -0.66 -1.71 119.26 118.50 3jx2 h ALA 358 Ca 0.12 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3jx2 h ALA 358 Cb 0.61 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3jx2 h ALA 358 CO 0.04 -0.79 -0.16 -0.22 0.00 0.00 0.00 179.25 178.12 3jx2 h LYS 359 N -0.60 -0.14 -0.17 0.00 3.64 -0.40 -0.29 116.57 118.61 3jx2 h LYS 359 Ca -0.06 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3jx2 h LYS 359 Cb 0.45 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3jx2 h LYS 359 CO 0.09 -0.09 -0.03 1.49 -2.27 0.00 0.00 179.45 178.64 3jx2 h GLU 360 N -0.14 0.01 -0.86 1.90 4.81 -1.22 0.80 114.58 119.88 3jx2 h GLU 360 Ca 0.14 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.43 3jx2 h GLU 360 Cb 0.35 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 3jx2 h GLU 360 CO -0.34 0.01 0.56 0.35 -0.73 0.00 0.00 179.01 178.85 3jx2 h PHE 361 N 0.01 0.97 0.05 0.92 3.57 -0.32 -1.09 116.94 121.05 3jx2 h PHE 361 Ca 0.08 0.02 -0.27 0.00 3.53 0.00 0.00 57.97 61.34 3jx2 h PHE 361 Cb 0.12 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 3jx2 h PHE 361 CO -0.19 0.51 -1.40 -0.07 -2.23 0.00 0.00 178.31 174.94 3jx2 h LEU 362 N 0.96 0.16 -0.48 0.59 3.38 -0.52 -0.69 115.31 118.71 3jx2 h LEU 362 Ca 0.37 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3jx2 h LEU 362 Cb 0.21 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3jx2 h LEU 362 CO -0.13 1.19 0.21 0.44 0.09 0.00 0.00 178.44 180.23 3jx2 h ASP 363 N 0.03 0.26 0.56 -0.43 3.45 -0.76 0.12 116.42 119.64 3jx2 h ASP 363 Ca -0.18 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 3jx2 h ASP 363 Cb 1.93 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.69 3jx2 h ASP 363 CO 0.13 0.18 -0.45 1.56 -1.57 0.00 0.00 179.24 179.10 3jx2 h GLN 364 N 0.41 -0.94 -0.53 3.56 4.20 -0.77 -1.08 115.11 119.95 3jx2 h GLN 364 Ca 0.22 0.06 0.11 0.00 0.06 0.00 0.00 58.65 59.10 3jx2 h GLN 364 Cb 0.19 0.21 -0.11 0.00 0.30 0.00 0.00 27.48 28.07 3jx2 h GLN 364 CO -0.19 -0.63 -0.21 -0.92 -0.67 0.00 0.00 178.83 176.21 3jx2 h TYR 365 N -0.98 -0.51 -0.43 2.96 3.20 -1.11 -2.24 116.97 117.86 3jx2 h TYR 365 Ca -0.07 0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.72 3jx2 h TYR 365 Cb 0.82 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 3jx2 h TYR 365 CO -0.17 -0.30 -0.24 1.88 -1.64 0.00 0.00 178.16 177.69 3jx2 h TYR 366 N -0.08 1.03 -0.46 -3.82 -1.99 -0.63 -2.33 116.97 108.69 3jx2 h TYR 366 Ca 0.25 -0.25 0.09 0.00 2.00 0.00 0.00 58.73 60.81 3jx2 h TYR 366 Cb 0.47 -0.24 -0.07 0.00 2.00 0.00 0.00 36.73 38.88 3jx2 h TYR 366 CO -0.51 1.04 0.01 0.77 -0.00 0.00 0.00 178.16 179.48 3jx2 h SER 367 N 0.77 -0.17 -0.65 3.88 0.02 -0.81 0.14 113.55 116.73 3jx2 h SER 367 Ca 0.10 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 3jx2 h SER 367 Cb 0.80 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 3jx2 h SER 367 CO 0.07 -0.05 0.16 0.77 -1.14 0.00 0.00 176.83 176.64 3jx2 h SER 368 N 0.13 1.00 -0.04 3.07 4.64 -1.16 0.92 113.55 122.10 3jx2 h SER 368 Ca 0.23 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3jx2 h SER 368 Cb 0.34 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3jx2 h SER 368 CO -0.38 0.96 0.00 2.30 -0.87 0.00 0.00 176.83 178.84 3jx2 n ILE 369 N -4.24 0.06 -3.62 0.95 -5.35 -0.90 -4.92 119.36 101.34 3jx2 n ILE 369 Ca 0.05 -0.06 -0.24 0.00 -0.27 0.00 0.00 62.75 62.23 3jx2 n ILE 369 Cb 0.25 -0.02 0.07 0.00 -1.74 0.00 0.00 39.64 38.21 3jx2 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx2 n LYS 370 N -0.42 -7.32 -0.37 6.28 5.02 0.32 -4.91 118.16 116.76 3jx2 n LYS 370 Ca 0.04 0.79 0.06 0.00 -2.02 0.00 0.00 58.31 57.19 3jx2 n LYS 370 Cb 0.05 -5.80 0.10 0.00 -0.02 0.00 0.00 35.03 29.36 3jx2 n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jx2 n ARG 371 N -4.81 0.87 -1.87 1.97 5.12 0.45 -5.02 116.66 113.37 3jx2 n ARG 371 Ca -0.04 -2.20 -0.42 0.00 -1.93 0.00 0.00 57.85 53.26 3jx2 n ARG 371 Cb 0.58 -1.13 -0.03 0.00 -1.16 0.00 0.00 32.46 30.72 3jx2 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3jx2 s PHE 372 N -1.92 2.63 0.00 -1.55 5.36 -1.16 -1.55 117.98 119.80 3jx2 s PHE 372 Ca 0.24 0.37 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 3jx2 s PHE 372 Cb 0.22 -4.00 0.00 0.00 -0.34 0.00 0.00 43.02 38.90 3jx2 s PHE 372 CO -0.01 -3.93 0.00 0.41 -1.46 0.00 0.00 175.22 170.23 3jx2 n GLY 373 N 3.95 1.21 3.73 13.12 0.00 -1.26 -5.00 105.19 120.95 3jx2 n GLY 373 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3jx2 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx2 s SER 374 N -3.11 3.88 0.22 1.61 1.04 -0.59 -4.75 113.70 112.00 3jx2 s SER 374 Ca 0.00 1.76 -0.08 0.00 0.48 0.00 0.00 55.95 58.11 3jx2 s SER 374 Cb 0.00 -2.41 0.35 0.00 0.10 0.00 0.00 66.02 64.05 3jx2 s SER 374 CO 0.00 -2.42 1.72 0.50 0.98 0.00 0.00 173.24 174.02 3jx2 h LYS 375 N -1.40 0.34 -0.21 4.02 3.64 -1.96 0.40 116.57 121.41 3jx2 h LYS 375 Ca -0.46 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 3jx2 h LYS 375 Cb 1.25 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 3jx2 h LYS 375 CO 0.51 0.23 -0.06 0.00 -2.27 0.00 0.00 179.45 177.85 3jx2 h ALA 376 N 1.49 1.51 0.06 5.00 0.00 -1.92 0.25 119.26 125.66 3jx2 h ALA 376 Ca 0.35 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3jx2 h ALA 376 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3jx2 h ALA 376 CO -0.38 0.35 -0.03 1.25 0.00 0.00 0.00 179.25 180.44 3jx2 h HIS 377 N 0.31 -0.08 -0.53 0.00 -0.00 -1.58 -2.51 115.15 110.76 3jx2 h HIS 377 Ca 0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3jx2 h HIS 377 Cb 0.32 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.73 3jx2 h HIS 377 CO 0.01 0.39 0.33 0.52 -0.00 0.00 0.00 177.93 179.18 3jx2 h MET 378 N -0.60 0.70 -0.42 5.26 2.07 -0.71 -0.99 114.93 120.25 3jx2 h MET 378 Ca -0.01 -0.05 -0.13 0.00 -2.07 0.00 0.00 59.70 57.44 3jx2 h MET 378 Cb 0.51 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 30.08 3jx2 h MET 378 CO 0.01 0.48 -0.26 -0.44 1.07 0.00 0.00 176.91 177.78 3jx2 h ASP 379 N 0.72 0.95 -0.36 1.22 3.32 -0.56 -2.29 116.42 119.42 3jx2 h ASP 379 Ca 0.19 -0.42 -0.15 0.00 0.02 0.00 0.00 57.03 56.67 3jx2 h ASP 379 Cb -0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3jx2 h ASP 379 CO -0.04 1.17 -0.36 -0.09 -1.72 0.00 0.00 179.24 178.20 3jx2 h ARG 380 N 0.74 0.88 -0.06 3.56 9.65 -0.94 0.89 114.38 129.09 3jx2 h ARG 380 Ca 0.09 -0.47 0.04 0.00 -1.10 0.00 0.00 59.98 58.54 3jx2 h ARG 380 Cb 0.84 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.39 3jx2 h ARG 380 CO 0.07 1.11 -0.21 -0.07 2.80 0.00 0.00 179.97 183.67 3jx2 h LEU 381 N 0.68 -0.64 -0.34 3.80 3.38 -1.23 -0.19 115.31 120.76 3jx2 h LEU 381 Ca 0.06 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3jx2 h LEU 381 Cb 0.95 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 3jx2 h LEU 381 CO 0.09 -0.27 0.02 -0.08 0.09 0.00 0.00 178.44 178.29 3jx2 h GLU 382 N -0.30 0.11 -0.69 1.13 4.81 -1.21 0.13 114.58 118.55 3jx2 h GLU 382 Ca 0.08 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3jx2 h GLU 382 Cb 0.41 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3jx2 h GLU 382 CO -0.24 0.08 0.30 1.49 -0.73 0.00 0.00 179.01 179.90 3jx2 h GLU 383 N 0.12 1.02 -0.31 1.92 4.81 -0.62 -1.12 114.58 120.40 3jx2 h GLU 383 Ca 0.17 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3jx2 h GLU 383 Cb 0.22 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3jx2 h GLU 383 CO -0.26 0.84 0.04 0.28 -0.73 0.00 0.00 179.01 179.17 3jx2 h VAL 384 N 0.98 1.24 -0.33 0.32 2.07 -0.81 -1.46 116.25 118.25 3jx2 h VAL 384 Ca 0.23 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.99 3jx2 h VAL 384 Cb 0.18 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.05 3jx2 h VAL 384 CO -0.02 0.27 -0.35 -1.13 0.02 0.00 0.00 177.57 176.36 3jx2 h ASN 385 N 0.34 -1.13 -0.38 0.57 -0.00 -0.48 -0.31 115.58 114.19 3jx2 h ASN 385 Ca 0.09 0.19 0.02 0.00 -0.00 0.00 0.00 56.30 56.60 3jx2 h ASN 385 Cb 0.36 0.51 -0.03 0.00 -0.00 0.00 0.00 38.32 39.16 3jx2 h ASN 385 CO 0.01 -0.34 0.21 0.11 -0.00 0.00 0.00 177.43 177.41 3jx2 h LYS 386 N -0.31 0.41 -0.87 6.67 1.57 -1.10 -2.46 116.57 120.48 3jx2 h LYS 386 Ca 0.15 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3jx2 h LYS 386 Cb 0.55 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 3jx2 h LYS 386 CO -0.50 0.27 0.44 1.49 -0.57 0.00 0.00 179.45 180.58 3jx2 h GLU 387 N 0.42 1.24 0.81 3.15 4.81 -0.91 -1.41 114.58 122.69 3jx2 h GLU 387 Ca 0.16 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3jx2 h GLU 387 Cb 0.04 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 29.20 3jx2 h GLU 387 CO -0.09 0.93 -0.39 0.82 -0.73 0.00 0.00 179.01 179.55 3jx2 h ILE 388 N 1.23 0.19 0.00 2.32 2.04 -0.68 0.19 117.51 122.80 3jx2 h ILE 388 Ca 0.30 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.11 3jx2 h ILE 388 Cb 0.08 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3jx2 h ILE 388 CO -0.04 0.00 -0.15 1.05 0.00 0.00 0.00 178.15 179.01 3jx2 h GLU 389 N -1.11 0.00 0.16 2.37 4.11 -1.33 1.64 114.58 120.42 3jx2 h GLU 389 Ca -0.11 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.06 3jx2 h GLU 389 Cb 0.84 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.11 3jx2 h GLU 389 CO 0.18 0.15 -1.19 1.03 0.07 0.00 0.00 179.01 179.26 3jx2 h SER 390 N 0.00 0.54 0.00 3.06 0.87 -1.21 -3.41 113.55 113.39 3jx2 h SER 390 Ca -0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 3jx2 h SER 390 Cb 0.35 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3jx2 h SER 390 CO 0.02 1.55 -0.26 0.35 -0.53 0.00 0.00 176.83 177.96 3jx2 n THR 391 N -3.95 0.00 -0.88 2.23 -2.24 0.68 -5.02 114.28 105.10 3jx2 n THR 391 Ca -0.18 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3jx2 n THR 391 Cb 0.92 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 70.11 3jx2 n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3jx2 n SER 392 N -1.14 0.00 -0.73 3.42 7.64 0.56 -4.94 113.62 118.43 3jx2 n SER 392 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3jx2 n SER 392 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3jx2 n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3jx2 n THR 393 N -2.00 0.00 -3.81 0.44 5.66 -1.25 -4.75 114.28 108.57 3jx2 n THR 393 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 3jx2 n THR 393 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 3jx2 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx2 s TYR 394 N -2.46 -0.22 -0.12 1.09 -0.85 -1.26 -3.01 117.35 110.51 3jx2 s TYR 394 Ca 0.00 -0.21 -0.01 0.00 -0.52 0.00 0.00 57.07 56.33 3jx2 s TYR 394 Cb 0.00 0.69 -0.03 0.00 0.38 0.00 0.00 41.96 43.00 3jx2 s TYR 394 CO 0.00 -1.19 -0.07 -0.65 -1.52 0.00 0.00 175.55 172.12 3jx2 s GLN 395 N -3.90 3.30 0.19 -3.49 -1.52 -1.26 -5.07 119.66 107.91 3jx2 s GLN 395 Ca 0.10 -0.56 -0.30 0.00 -1.95 0.00 0.00 55.36 52.65 3jx2 s GLN 395 Cb -0.05 -2.75 -0.08 0.00 -0.22 0.00 0.00 33.01 29.91 3jx2 s GLN 395 CO 0.05 0.38 1.05 -0.51 -0.25 0.00 0.00 175.29 176.00 3jx2 s LEU 396 N -0.03 4.53 0.82 2.90 1.43 -1.26 -5.04 118.68 122.03 3jx2 s LEU 396 Ca -0.00 2.03 -0.13 0.00 -1.03 0.00 0.00 54.13 55.01 3jx2 s LEU 396 Cb -0.13 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.57 3jx2 s LEU 396 CO 0.03 -0.11 1.18 -0.54 0.23 0.00 0.00 176.35 177.14 3jx2 s LYS 397 N -0.58 1.59 0.35 1.70 -0.14 -1.26 -4.83 119.74 116.57 3jx2 s LYS 397 Ca 0.47 1.67 0.06 0.00 -1.36 0.00 0.00 55.97 56.81 3jx2 s LYS 397 Cb -0.28 -1.78 0.72 0.00 -1.68 0.00 0.00 37.83 34.82 3jx2 s LYS 397 CO 0.34 -2.23 1.95 -0.44 -0.76 0.00 0.00 175.35 174.20 3jx2 h ASP 398 N -1.07 0.69 0.31 2.83 3.32 -2.00 -0.75 116.42 119.75 3jx2 h ASP 398 Ca -0.45 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.46 3jx2 h ASP 398 Cb 1.29 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3jx2 h ASP 398 CO 0.46 0.44 -0.58 0.71 -1.72 0.00 0.00 179.24 178.55 3jx2 h THR 399 N 0.78 1.37 0.02 0.35 1.35 -2.00 -2.20 112.91 112.59 3jx2 h THR 399 Ca 0.33 -1.91 -0.22 0.00 -0.55 0.00 0.00 66.41 64.06 3jx2 h THR 399 Cb 0.29 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3jx2 h THR 399 CO -0.12 0.57 -0.96 -0.33 -0.25 0.00 0.00 175.52 174.43 3jx2 h GLU 400 N 0.21 0.30 -0.11 4.72 5.08 -1.72 -1.81 114.58 121.26 3jx2 h GLU 400 Ca -0.00 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 3jx2 h GLU 400 Cb 1.08 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3jx2 h GLU 400 CO 0.09 1.06 0.00 1.25 -1.00 0.00 0.00 179.01 180.42 3jx2 h LEU 401 N 0.16 0.18 -0.53 1.33 5.85 -0.87 0.25 115.31 121.68 3jx2 h LEU 401 Ca -0.07 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.42 3jx2 h LEU 401 Cb 1.61 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.53 3jx2 h LEU 401 CO 0.16 0.44 0.18 0.40 -0.34 0.00 0.00 178.44 179.28 3jx2 h ILE 402 N -0.09 0.79 -0.14 4.05 2.04 -1.45 0.34 117.51 123.05 3jx2 h ILE 402 Ca 0.03 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 3jx2 h ILE 402 Cb 0.35 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3jx2 h ILE 402 CO 0.01 0.06 -0.18 0.22 0.00 0.00 0.00 178.15 178.26 3jx2 h TYR 403 N 0.35 0.46 -0.81 1.37 3.20 -1.23 -1.99 116.97 118.32 3jx2 h TYR 403 Ca 0.26 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3jx2 h TYR 403 Cb 0.31 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 3jx2 h TYR 403 CO -0.17 0.80 0.47 0.78 -1.64 0.00 0.00 178.16 178.39 3jx2 h GLY 404 N -0.01 1.18 1.44 1.82 0.00 -0.05 -1.74 103.07 105.70 3jx2 h GLY 404 Ca 0.02 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 3jx2 h GLY 404 CO 0.04 0.49 -0.54 0.00 0.00 0.00 0.00 176.54 176.53 3jx2 h ALA 405 N 1.25 0.67 -0.66 3.60 0.00 -0.27 -0.89 119.26 122.96 3jx2 h ALA 405 Ca 0.29 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3jx2 h ALA 405 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3jx2 h ALA 405 CO -0.05 0.69 0.40 0.87 0.00 0.00 0.00 179.25 181.15 3jx2 h LYS 406 N 0.46 0.90 -0.30 0.00 1.57 -1.23 -2.96 116.57 115.01 3jx2 h LYS 406 Ca 0.01 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 3jx2 h LYS 406 Cb 1.09 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 3jx2 h LYS 406 CO 0.10 0.65 -0.35 0.45 -0.57 0.00 0.00 179.45 179.73 3jx2 h HIS 407 N 0.90 0.80 -0.81 -1.35 3.86 -0.94 -0.96 115.15 116.65 3jx2 h HIS 407 Ca 0.24 -0.22 0.14 0.00 -1.16 0.00 0.00 60.37 59.37 3jx2 h HIS 407 Cb -0.02 -0.18 -0.09 0.00 1.06 0.00 0.00 27.41 28.18 3jx2 h HIS 407 CO -0.01 0.94 0.39 0.00 0.86 0.00 0.00 177.93 180.10 3jx2 h ALA 408 N 1.04 1.19 -0.17 2.45 0.00 -1.06 0.17 119.26 122.89 3jx2 h ALA 408 Ca 0.06 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3jx2 h ALA 408 Cb 0.87 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3jx2 h ALA 408 CO 0.08 -0.13 -0.09 2.35 0.00 0.00 0.00 179.25 181.46 3jx2 h TRP 409 N 0.56 0.41 -0.92 0.00 7.01 -1.20 -1.61 115.95 120.20 3jx2 h TRP 409 Ca 0.44 -0.10 0.15 0.00 2.11 0.00 0.00 58.89 61.49 3jx2 h TRP 409 Cb 0.63 -0.09 -0.08 0.00 -2.10 0.00 0.00 29.16 27.53 3jx2 h TRP 409 CO -0.12 0.68 0.59 -0.09 -2.79 0.00 0.00 178.44 176.71 3jx2 h ARG 410 N 0.02 0.68 -0.01 2.65 2.43 -0.44 0.08 114.38 119.79 3jx2 h ARG 410 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3jx2 h ARG 410 Cb 0.57 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3jx2 h ARG 410 CO 0.03 0.45 -0.18 0.09 -1.51 0.00 0.00 179.97 178.85 3jx2 n ASN 411 N -4.58 0.83 -4.55 -3.80 3.02 0.51 -4.83 115.26 101.86 3jx2 n ASN 411 Ca 0.18 -0.81 -0.35 0.00 -0.03 0.00 0.00 54.58 53.57 3jx2 n ASN 411 Cb 0.50 0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 3jx2 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx2 s ALA 412 N -2.45 1.99 -0.55 5.41 0.00 0.01 -4.72 121.76 121.45 3jx2 s ALA 412 Ca 0.27 -0.81 0.25 0.00 0.00 0.00 0.00 51.96 51.68 3jx2 s ALA 412 Cb 0.20 -4.37 0.91 0.00 0.00 0.00 0.00 23.12 19.86 3jx2 s ALA 412 CO 0.49 -4.19 1.75 0.66 0.00 0.00 0.00 175.76 174.47 3jx2 h SER 413 N 14.39 0.00 -0.25 0.00 4.64 -1.87 -1.82 113.55 128.64 3jx2 h SER 413 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3jx2 h SER 413 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3jx2 h SER 413 CO 1.21 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.71 3jx2 n ARG 414 N -2.32 1.90 -3.68 4.77 1.74 -1.26 0.02 116.66 117.83 3jx2 n ARG 414 Ca 0.04 -1.37 -0.38 0.00 -0.77 0.00 0.00 57.85 55.36 3jx2 n ARG 414 Cb 0.33 -1.40 -0.12 0.00 -1.02 0.00 0.00 32.46 30.25 3jx2 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx2 n VAL 416 N 4.95 0.08 0.37 0.00 3.14 -1.26 -3.98 118.33 121.64 3jx2 n VAL 416 Ca -0.14 0.02 0.08 0.00 -2.96 0.00 0.00 64.34 61.34 3jx2 n VAL 416 Cb 0.49 -0.54 0.23 0.00 -1.06 0.00 0.00 33.84 32.95 3jx2 n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jx2 n GLY 417 N 1.32 1.40 0.00 7.55 0.00 -1.26 -4.51 105.19 109.69 3jx2 n GLY 417 Ca 0.08 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.65 3jx2 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx2 n ARG 418 N 0.98 0.25 0.31 1.61 1.74 -1.26 -2.10 116.66 118.20 3jx2 n ARG 418 Ca 0.17 0.10 0.20 0.00 -0.77 0.00 0.00 57.85 57.55 3jx2 n ARG 418 Cb 0.44 -1.50 1.07 0.00 -1.02 0.00 0.00 32.46 31.45 3jx2 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx2 h ILE 419 N 0.00 0.00 -0.00 0.55 2.10 -1.91 0.15 117.51 118.41 3jx2 h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jx2 h ILE 419 Cb 0.22 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 3jx2 h ILE 419 CO 0.00 0.00 -0.22 0.00 -1.08 0.00 0.00 178.15 176.85 3jx2 n GLN 420 N -2.92 0.21 -0.33 2.19 1.13 -0.89 -4.63 117.38 112.14 3jx2 n GLN 420 Ca -0.03 -0.08 0.21 0.00 -1.94 0.00 0.00 57.00 55.17 3jx2 n GLN 420 Cb 0.11 -1.50 0.43 0.00 0.11 0.00 0.00 30.24 29.39 3jx2 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx2 h TRP 421 N 0.19 0.88 0.00 1.08 5.08 -0.90 -0.03 115.95 122.26 3jx2 h TRP 421 Ca 0.00 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.01 3jx2 h TRP 421 Cb 0.46 -0.23 0.00 0.00 -3.00 0.00 0.00 29.16 26.39 3jx2 h TRP 421 CO 0.00 -0.13 0.00 -1.13 -1.28 0.00 0.00 178.44 175.90 3jx2 n SER 422 N -5.04 0.55 -4.18 0.11 3.41 -1.26 -4.36 113.62 102.86 3jx2 n SER 422 Ca 0.30 0.64 -0.40 0.00 -0.26 0.00 0.00 58.87 59.15 3jx2 n SER 422 Cb 0.90 -0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 64.01 3jx2 n SER 422 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3jx2 s LYS 423 N -3.26 2.54 -0.22 4.33 3.01 -0.03 -5.00 119.74 121.11 3jx2 s LYS 423 Ca 0.05 -2.05 -0.12 0.00 -1.01 0.00 0.00 55.97 52.83 3jx2 s LYS 423 Cb 0.09 -3.87 0.07 0.00 -1.01 0.00 0.00 37.83 33.11 3jx2 s LYS 423 CO 0.37 -1.18 0.53 -1.17 0.51 0.00 0.00 175.35 174.41 3jx2 s LEU 424 N 0.82 -0.49 -0.43 3.17 2.96 -1.26 -4.68 118.68 118.76 3jx2 s LEU 424 Ca 0.10 1.17 -0.18 0.00 -0.22 0.00 0.00 54.13 55.01 3jx2 s LEU 424 Cb -0.22 1.81 0.03 0.00 0.50 0.00 0.00 46.19 48.30 3jx2 s LEU 424 CO -0.03 -0.21 0.49 -1.58 -1.32 0.00 0.00 176.35 173.70 3jx2 s GLN 425 N 1.57 3.13 -0.31 1.98 2.00 -0.85 -5.00 119.66 122.17 3jx2 s GLN 425 Ca -0.09 -0.72 -0.16 0.00 -2.00 0.00 0.00 55.36 52.39 3jx2 s GLN 425 Cb -0.07 -3.98 -0.02 0.00 0.80 0.00 0.00 33.01 29.74 3jx2 s GLN 425 CO -0.16 -0.92 0.40 0.08 -0.50 0.00 0.00 175.29 174.19 3jx2 s VAL 426 N 2.29 5.14 -0.19 1.34 1.01 -1.26 -0.16 120.40 128.56 3jx2 s VAL 426 Ca 0.14 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.38 3jx2 s VAL 426 Cb -0.17 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3jx2 s VAL 426 CO 0.14 -0.02 0.04 -0.36 0.00 0.00 0.00 175.10 174.91 3jx2 s PHE 427 N 2.12 3.16 -0.47 5.22 0.08 0.07 -4.98 117.98 123.18 3jx2 s PHE 427 Ca 0.15 -0.12 -0.19 0.00 0.12 0.00 0.00 56.93 56.89 3jx2 s PHE 427 Cb -0.16 -2.09 0.04 0.00 -0.57 0.00 0.00 43.02 40.24 3jx2 s PHE 427 CO 0.11 -0.00 0.60 0.34 -0.10 0.00 0.00 175.22 176.17 3jx2 s ASP 428 N 0.66 6.25 -0.30 1.36 3.68 -1.26 -1.03 116.67 126.03 3jx2 s ASP 428 Ca 0.02 -0.70 0.09 0.00 2.13 0.00 0.00 52.55 54.09 3jx2 s ASP 428 Cb -0.13 -2.29 0.52 0.00 -1.45 0.00 0.00 42.92 39.56 3jx2 s ASP 428 CO 0.02 -0.81 1.49 0.00 0.13 0.00 0.00 175.17 176.00 3jx2 n ALA 429 N 6.12 4.34 0.49 3.66 0.00 0.24 -4.62 120.51 130.73 3jx2 n ALA 429 Ca -0.05 -3.09 0.09 0.00 0.00 0.00 0.00 53.44 50.38 3jx2 n ALA 429 Cb 0.46 -0.78 0.37 0.00 0.00 0.00 0.00 19.45 19.50 3jx2 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jx2 n ARG 430 N -1.10 0.05 -0.04 0.00 1.74 -1.00 -1.86 116.66 114.45 3jx2 n ARG 430 Ca 0.34 0.29 0.11 0.00 -0.77 0.00 0.00 57.85 57.82 3jx2 n ARG 430 Cb 1.07 -1.60 0.48 0.00 -1.02 0.00 0.00 32.46 31.39 3jx2 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jx2 n ASP 431 N -1.70 1.17 -4.79 0.55 5.68 -1.26 -4.55 116.55 111.64 3jx2 n ASP 431 Ca 0.03 -1.56 -0.36 0.00 -0.50 0.00 0.00 54.79 52.41 3jx2 n ASP 431 Cb 0.19 -0.06 -0.05 0.00 -1.14 0.00 0.00 41.12 40.07 3jx2 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3jx2 n THR 433 N -0.20 0.00 -4.22 0.00 -2.24 -1.26 -4.76 114.28 101.60 3jx2 n THR 433 Ca 0.05 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 3jx2 n THR 433 Cb 0.51 0.45 -0.10 0.00 -2.10 0.00 0.00 70.33 69.09 3jx2 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx2 s THR 434 N -0.33 0.38 0.23 4.28 -4.23 -1.26 -4.60 115.64 110.11 3jx2 s THR 434 Ca 0.00 -1.96 -0.06 0.00 -1.18 0.00 0.00 61.69 58.48 3jx2 s THR 434 Cb 0.00 -2.25 0.18 0.00 1.34 0.00 0.00 72.50 71.78 3jx2 s THR 434 CO 0.00 -0.32 1.82 0.00 -0.54 0.00 0.00 174.62 175.58 3jx2 h ALA 435 N 2.68 1.12 -0.60 3.99 0.00 -1.90 -0.57 119.26 123.99 3jx2 h ALA 435 Ca -0.36 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 3jx2 h ALA 435 Cb 1.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3jx2 h ALA 435 CO 0.60 0.65 0.05 0.45 0.00 0.00 0.00 179.25 181.00 3jx2 h HIS 436 N 1.17 1.06 -0.46 0.00 -0.00 -1.96 0.42 115.15 115.39 3jx2 h HIS 436 Ca 0.28 -0.15 0.06 0.00 -0.00 0.00 0.00 60.37 60.55 3jx2 h HIS 436 Cb 0.14 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.21 3jx2 h HIS 436 CO 0.02 0.92 0.17 0.78 -0.00 0.00 0.00 177.93 179.82 3jx2 h GLY 437 N 1.02 0.61 0.85 2.45 0.00 -1.67 -1.75 103.07 104.58 3jx2 h GLY 437 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3jx2 h GLY 437 CO 0.02 0.03 0.04 -0.33 0.00 0.00 0.00 176.54 176.31 3jx2 h MET 438 N 0.36 0.24 -0.67 4.80 0.00 0.39 -1.25 114.93 118.80 3jx2 h MET 438 Ca 0.21 -0.05 0.14 0.00 0.00 0.00 0.00 59.70 60.00 3jx2 h MET 438 Cb 0.20 -0.03 -0.11 0.00 0.00 0.00 0.00 31.60 31.65 3jx2 h MET 438 CO -0.21 0.37 0.05 0.35 0.00 0.00 0.00 176.91 177.47 3jx2 h PHE 439 N 0.06 0.04 -0.02 -0.22 -0.00 0.01 -0.77 116.94 116.06 3jx2 h PHE 439 Ca 0.05 0.05 -0.00 0.00 -0.00 0.00 0.00 57.97 58.06 3jx2 h PHE 439 Cb 0.23 0.09 -0.00 0.00 -0.00 0.00 0.00 35.95 36.27 3jx2 h PHE 439 CO 0.00 -0.16 0.01 -0.97 -0.00 0.00 0.00 178.31 177.19 3jx2 h ASN 440 N 0.16 0.02 -0.28 0.41 -1.24 -0.88 -1.54 115.58 112.23 3jx2 h ASN 440 Ca 0.36 -0.12 0.02 0.00 0.71 0.00 0.00 56.30 57.27 3jx2 h ASN 440 Cb 0.61 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.64 3jx2 h ASN 440 CO -0.55 0.14 0.19 1.88 -1.29 0.00 0.00 177.43 177.80 3jx2 h TYR 441 N -0.09 0.28 0.02 0.67 -1.99 -0.72 -2.35 116.97 112.79 3jx2 h TYR 441 Ca 0.01 0.01 -0.19 0.00 2.00 0.00 0.00 58.73 60.55 3jx2 h TYR 441 Cb 0.12 -0.09 0.02 0.00 2.00 0.00 0.00 36.73 38.77 3jx2 h TYR 441 CO -0.04 0.17 -0.75 0.82 -0.00 0.00 0.00 178.16 178.37 3jx2 h ILE 442 N 0.30 1.40 -0.32 -2.88 2.04 -0.68 -2.01 117.51 115.35 3jx2 h ILE 442 Ca 0.11 -2.18 0.07 0.00 1.00 0.00 0.00 64.86 63.86 3jx2 h ILE 442 Cb 0.08 2.62 -0.07 0.00 -0.74 0.00 0.00 36.82 38.70 3jx2 h ILE 442 CO -0.02 0.64 -0.19 0.00 0.00 0.00 0.00 178.15 178.58 3jx2 h ASN 444 N -0.15 0.43 0.21 0.00 2.35 -1.37 -0.46 115.58 116.59 3jx2 h ASN 444 Ca 0.16 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3jx2 h ASN 444 Cb 0.40 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3jx2 h ASN 444 CO -0.41 0.35 -0.10 -0.74 -1.65 0.00 0.00 177.43 174.87 3jx2 h HIS 445 N 0.50 -0.27 -0.98 1.19 2.76 -0.26 -1.29 115.15 116.80 3jx2 h HIS 445 Ca 0.13 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.42 3jx2 h HIS 445 Cb 0.01 0.09 -0.08 0.00 1.55 0.00 0.00 27.41 28.97 3jx2 h HIS 445 CO 0.00 -0.01 0.62 0.28 -1.30 0.00 0.00 177.93 177.52 3jx2 h VAL 446 N -0.50 0.91 0.04 5.26 2.07 0.77 0.89 116.25 125.69 3jx2 h VAL 446 Ca -0.03 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 3jx2 h VAL 446 Cb 0.37 -0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3jx2 h VAL 446 CO 0.05 0.17 -0.47 0.50 0.02 0.00 0.00 177.57 177.84 3jx2 h LYS 447 N 0.94 0.24 -0.18 1.57 3.64 -1.03 -0.62 116.57 121.13 3jx2 h LYS 447 Ca 0.48 -0.32 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 3jx2 h LYS 447 Cb 0.52 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 3jx2 h LYS 447 CO -0.25 1.07 0.01 -0.92 -2.27 0.00 0.00 179.45 177.09 3jx2 h TYR 448 N -0.44 0.00 -0.38 1.91 3.20 -0.89 -0.68 116.97 119.70 3jx2 h TYR 448 Ca -0.07 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.74 3jx2 h TYR 448 Cb 1.27 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 3jx2 h TYR 448 CO 0.19 -0.02 -0.05 0.00 -1.64 0.00 0.00 178.16 176.64 3jx2 h ALA 449 N 1.15 0.51 0.06 1.82 0.00 -0.88 -3.19 119.26 118.73 3jx2 h ALA 449 Ca 0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3jx2 h ALA 449 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3jx2 h ALA 449 CO -0.14 0.33 -0.03 1.15 0.00 0.00 0.00 179.25 180.56 3jx2 h THR 450 N 0.50 0.93 -5.98 0.00 2.02 -1.07 0.77 112.91 110.08 3jx2 h THR 450 Ca 0.10 0.00 -0.45 0.00 0.77 0.00 0.00 66.41 66.83 3jx2 h THR 450 Cb 0.54 0.93 -0.09 0.00 -1.74 0.00 0.00 68.15 67.80 3jx2 h THR 450 CO 0.03 0.00 -0.69 -3.20 0.37 0.00 0.00 175.52 172.03 3jx2 n ASN 451 N -5.13 -4.12 -2.83 4.18 5.15 -0.27 -1.05 115.26 111.19 3jx2 n ASN 451 Ca -0.08 -0.66 -0.21 0.00 -0.60 0.00 0.00 54.58 53.04 3jx2 n ASN 451 Cb 0.06 -3.35 0.01 0.00 -0.53 0.00 0.00 39.78 35.97 3jx2 n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jx2 n LYS 452 N -4.21 -3.43 0.00 1.20 5.02 -1.26 -2.90 118.16 112.58 3jx2 n LYS 452 Ca 0.02 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 3jx2 n LYS 452 Cb 0.53 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 3jx2 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx2 n GLY 453 N -1.23 2.69 3.08 0.72 0.00 -0.22 -4.91 105.19 105.32 3jx2 n GLY 453 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3jx2 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jx2 n ASN 454 N 0.00 5.43 -4.63 1.61 4.05 -1.14 -0.46 115.26 120.11 3jx2 n ASN 454 Ca 0.00 -3.13 -0.43 0.00 0.45 0.00 0.00 54.58 51.47 3jx2 n ASN 454 Cb 0.00 -1.45 -0.00 0.00 1.23 0.00 0.00 39.78 39.55 3jx2 n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3jx2 n LEU 455 N 3.68 2.57 -4.13 1.20 4.32 -1.24 -4.61 117.00 118.79 3jx2 n LEU 455 Ca 0.35 1.15 -0.24 0.00 -0.02 0.00 0.00 56.01 57.24 3jx2 n LEU 455 Cb 0.37 -1.37 -0.16 0.00 -1.62 0.00 0.00 43.42 40.65 3jx2 n LEU 455 CO 0.72 -1.14 -0.49 -0.13 -1.22 0.00 0.00 177.39 175.13 3jx2 s ARG 456 N -1.79 1.44 0.19 3.23 0.52 0.26 -4.99 118.95 117.82 3jx2 s ARG 456 Ca 0.59 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.93 3jx2 s ARG 456 Cb -0.62 -1.34 -0.08 0.00 0.52 0.00 0.00 34.95 33.44 3jx2 s ARG 456 CO 0.60 0.29 1.18 -1.12 0.02 0.00 0.00 175.30 176.27 3jx2 s SER 457 N -0.18 7.12 0.12 0.23 0.01 -1.26 -4.50 113.70 115.23 3jx2 s SER 457 Ca 0.02 2.22 -0.07 0.00 1.31 0.00 0.00 55.95 59.43 3jx2 s SER 457 Cb -0.08 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 3jx2 s SER 457 CO 0.00 -0.34 0.19 0.00 0.41 0.00 0.00 173.24 173.51 3jx2 s ALA 458 N -0.15 0.01 -0.03 1.44 0.00 -0.61 -2.01 121.76 120.41 3jx2 s ALA 458 Ca 0.52 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 3jx2 s ALA 458 Cb -0.32 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.45 3jx2 s ALA 458 CO 0.37 -0.54 0.08 -1.50 0.00 0.00 0.00 175.76 174.16 3jx2 s ILE 459 N -3.92 -0.02 -0.12 0.00 2.07 0.77 -0.77 121.20 119.21 3jx2 s ILE 459 Ca 0.11 0.06 -0.00 0.00 -1.41 0.00 0.00 60.65 59.41 3jx2 s ILE 459 Cb 0.05 -0.13 -0.02 0.00 0.13 0.00 0.00 42.46 42.49 3jx2 s ILE 459 CO -0.06 0.02 -0.12 -0.89 -1.91 0.00 0.00 174.94 171.98 3jx2 s THR 460 N 0.36 3.13 -0.29 4.00 2.01 -0.63 -0.75 115.64 123.48 3jx2 s THR 460 Ca -0.03 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.36 3jx2 s THR 460 Cb -0.04 -2.31 0.07 0.00 0.01 0.00 0.00 72.50 70.23 3jx2 s THR 460 CO -0.01 0.53 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.76 3jx2 s ILE 461 N 0.23 2.27 0.74 1.82 1.01 -0.20 -3.19 121.20 123.88 3jx2 s ILE 461 Ca -0.08 -1.84 -0.12 0.00 0.00 0.00 0.00 60.65 58.61 3jx2 s ILE 461 Cb -0.15 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 39.91 3jx2 s ILE 461 CO 0.05 -0.21 1.12 -0.36 0.00 0.00 0.00 174.94 175.53 3jx2 s PHE 462 N 1.05 3.17 0.30 3.97 0.08 -1.00 0.79 117.98 126.34 3jx2 s PHE 462 Ca -0.03 0.99 -0.29 0.00 0.12 0.00 0.00 56.93 57.72 3jx2 s PHE 462 Cb -0.20 -3.18 -0.13 0.00 -0.57 0.00 0.00 43.02 38.95 3jx2 s PHE 462 CO -0.06 -1.41 1.25 -2.30 -0.10 0.00 0.00 175.22 172.61 3jx2 n PRO 463 N -3.14 1.91 -0.73 0.24 -0.02 -1.25 -4.72 135.00 127.29 3jx2 n PRO 463 Ca 0.07 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.91 3jx2 n PRO 463 Cb 0.58 -2.22 0.16 0.00 -0.02 0.00 0.00 33.50 31.99 3jx2 n PRO 463 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jx2 n GLN 464 N 0.99 -0.38 -1.74 -0.52 10.64 -1.26 -4.56 117.38 120.55 3jx2 n GLN 464 Ca 0.08 -0.05 -0.39 0.00 -1.83 0.00 0.00 57.00 54.81 3jx2 n GLN 464 Cb 0.34 -2.28 0.04 0.00 -0.86 0.00 0.00 30.24 27.48 3jx2 n GLN 464 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 3jx2 n ARG 465 N -3.66 1.69 0.00 2.61 0.63 0.65 -4.90 116.66 113.68 3jx2 n ARG 465 Ca 0.11 0.62 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 3jx2 n ARG 465 Cb 0.52 -2.56 0.00 0.00 0.45 0.00 0.00 32.46 30.87 3jx2 n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jx2 n THR 466 N -1.00 0.00 0.38 5.15 -2.24 -1.26 -4.80 114.28 110.51 3jx2 n THR 466 Ca 0.10 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.97 3jx2 n THR 466 Cb 0.44 -0.16 0.25 0.00 -2.10 0.00 0.00 70.33 68.76 3jx2 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx2 n ASP 467 N -0.25 2.82 0.00 3.42 3.85 -1.26 -4.75 116.55 120.39 3jx2 n ASP 467 Ca 0.00 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 52.11 3jx2 n ASP 467 Cb 0.00 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 39.45 3jx2 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jx2 n GLY 468 N 1.35 0.27 0.35 6.12 0.00 -1.26 -4.70 105.19 107.32 3jx2 n GLY 468 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 3jx2 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx2 n LYS 469 N -1.07 1.58 -2.42 1.61 5.02 -1.26 -4.62 118.16 117.01 3jx2 n LYS 469 Ca 0.00 -0.86 -0.13 0.00 -2.02 0.00 0.00 58.31 55.30 3jx2 n LYS 469 Cb 0.21 -1.18 0.03 0.00 -0.02 0.00 0.00 35.03 34.07 3jx2 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx2 n HIS 470 N 0.08 2.08 -2.50 2.13 8.25 -1.26 -4.38 115.22 119.62 3jx2 n HIS 470 Ca 0.06 -2.26 -0.41 0.00 -0.26 0.00 0.00 57.72 54.85 3jx2 n HIS 470 Cb 0.28 -0.28 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 3jx2 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jx2 s ASP 471 N -3.66 7.26 -0.33 0.41 -0.00 -1.26 -3.12 116.67 115.97 3jx2 s ASP 471 Ca 0.40 2.13 -0.29 0.00 -0.00 0.00 0.00 52.55 54.79 3jx2 s ASP 471 Cb 0.37 -2.61 0.02 0.00 -0.00 0.00 0.00 42.92 40.70 3jx2 s ASP 471 CO -0.01 -0.21 1.10 -0.36 -0.00 0.00 0.00 175.17 175.69 3jx2 s PHE 472 N -0.41 3.08 -0.05 4.23 0.40 -1.26 -1.06 117.98 122.92 3jx2 s PHE 472 Ca 0.49 1.13 0.06 0.00 -0.60 0.00 0.00 56.93 58.01 3jx2 s PHE 472 Cb -0.30 -3.77 -0.01 0.00 0.51 0.00 0.00 43.02 39.45 3jx2 s PHE 472 CO 0.36 -0.90 -0.24 1.03 0.70 0.00 0.00 175.22 176.18 3jx2 s ARG 473 N 3.76 2.32 -0.26 0.44 1.81 -0.30 -3.50 118.95 123.22 3jx2 s ARG 473 Ca 0.47 -0.86 -0.17 0.00 -1.72 0.00 0.00 55.73 53.44 3jx2 s ARG 473 Cb -0.12 -2.03 -0.03 0.00 -0.45 0.00 0.00 34.95 32.32 3jx2 s ARG 473 CO 0.17 0.39 0.48 0.08 -0.68 0.00 0.00 175.30 175.75 3jx2 s VAL 474 N -0.23 5.09 0.06 3.52 1.01 -1.26 -1.48 120.40 127.12 3jx2 s VAL 474 Ca -0.01 0.81 0.10 0.00 0.00 0.00 0.00 61.98 62.89 3jx2 s VAL 474 Cb -0.13 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 3jx2 s VAL 474 CO 0.02 0.11 1.38 -0.50 0.00 0.00 0.00 175.10 176.11 3jx2 h TRP 475 N 8.02 0.00 -4.05 5.22 4.06 -1.69 -3.42 115.95 124.09 3jx2 h TRP 475 Ca -0.30 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.12 3jx2 h TRP 475 Cb 1.15 0.00 0.10 0.00 -1.00 0.00 0.00 29.16 29.41 3jx2 h TRP 475 CO 0.75 0.80 0.53 -0.80 -3.56 0.00 0.00 178.44 176.16 3jx2 s ASN 476 N -6.64 5.56 0.15 -3.49 -0.87 -1.26 -4.94 114.94 103.45 3jx2 s ASN 476 Ca 0.02 2.50 -0.02 0.00 -1.57 0.00 0.00 52.86 53.78 3jx2 s ASN 476 Cb 0.10 -2.61 -0.03 0.00 -0.02 0.00 0.00 41.25 38.68 3jx2 s ASN 476 CO 0.79 -1.35 1.36 0.77 -2.57 0.00 0.00 177.10 176.10 3jx2 h SER 477 N 1.50 0.46 -4.31 -1.22 4.64 -1.91 -3.37 113.55 109.34 3jx2 h SER 477 Ca -0.50 -0.35 -0.37 0.00 -0.47 0.00 0.00 61.79 60.11 3jx2 h SER 477 Cb 1.28 -0.14 -0.19 0.00 -0.31 0.00 0.00 62.40 63.04 3jx2 h SER 477 CO 0.58 1.13 -0.75 -1.10 -0.87 0.00 0.00 176.83 175.81 3jx2 s GLN 478 N -3.36 0.88 0.38 4.77 -0.21 -1.26 -0.93 119.66 119.93 3jx2 s GLN 478 Ca -0.05 -1.13 0.05 0.00 0.02 0.00 0.00 55.36 54.26 3jx2 s GLN 478 Cb 0.10 -0.70 0.74 0.00 1.00 0.00 0.00 33.01 34.15 3jx2 s GLN 478 CO 0.85 0.13 1.99 -0.07 -2.12 0.00 0.00 175.29 176.07 3jx2 h LEU 479 N 3.73 0.51 -7.93 2.90 3.38 -1.41 -3.37 115.31 113.11 3jx2 h LEU 479 Ca -0.39 -0.04 -0.63 0.00 0.09 0.00 0.00 57.88 56.92 3jx2 h LEU 479 Cb 1.19 -0.13 -0.36 0.00 0.09 0.00 0.00 40.66 41.45 3jx2 h LEU 479 CO 0.49 0.44 -0.84 -0.63 0.09 0.00 0.00 178.44 178.00 3jx2 s ILE 480 N -5.35 1.74 0.12 1.22 1.01 -1.26 -4.89 121.20 113.79 3jx2 s ILE 480 Ca -0.08 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 3jx2 s ILE 480 Cb 0.17 -1.64 0.01 0.00 0.01 0.00 0.00 42.46 41.01 3jx2 s ILE 480 CO 0.75 0.44 0.29 -0.13 0.00 0.00 0.00 174.94 176.29 3jx2 s ARG 481 N 1.41 1.02 0.08 2.79 0.52 -1.26 -4.86 118.95 118.64 3jx2 s ARG 481 Ca 0.04 -0.93 -0.08 0.00 -0.52 0.00 0.00 55.73 54.23 3jx2 s ARG 481 Cb -0.13 0.40 -0.06 0.00 0.52 0.00 0.00 34.95 35.68 3jx2 s ARG 481 CO -0.11 -0.37 0.38 0.71 0.02 0.00 0.00 175.30 175.93 3jx2 s TYR 482 N -3.87 3.56 0.88 -0.53 1.51 -1.26 -0.93 117.35 116.70 3jx2 s TYR 482 Ca 0.08 0.71 -0.11 0.00 -1.01 0.00 0.00 57.07 56.73 3jx2 s TYR 482 Cb 0.03 -2.10 0.12 0.00 -0.11 0.00 0.00 41.96 39.90 3jx2 s TYR 482 CO -0.08 0.51 1.10 0.00 -1.11 0.00 0.00 175.55 175.97 3jx2 s ALA 483 N -1.44 1.62 -0.02 3.71 0.00 -0.30 -4.40 121.76 120.94 3jx2 s ALA 483 Ca 0.34 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3jx2 s ALA 483 Cb -0.13 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.71 3jx2 s ALA 483 CO 0.19 -2.38 0.02 0.20 0.00 0.00 0.00 175.76 173.79 3jx2 s GLY 484 N -3.12 0.13 -0.13 0.00 0.00 -1.23 -1.27 107.32 101.69 3jx2 s GLY 484 Ca 0.64 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.63 3jx2 s GLY 484 CO 0.58 0.62 -0.19 -0.19 0.00 0.00 0.00 173.10 173.92 3jx2 s TYR 485 N 0.99 2.40 -0.23 1.90 1.51 0.65 -4.11 117.35 120.44 3jx2 s TYR 485 Ca -0.09 -1.21 -0.16 0.00 -1.01 0.00 0.00 57.07 54.60 3jx2 s TYR 485 Cb -0.12 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 3jx2 s TYR 485 CO -0.03 -0.58 0.43 0.21 -1.11 0.00 0.00 175.55 174.48 3jx2 s LYS 486 N 0.94 4.11 0.61 -0.62 2.47 -1.26 -1.40 119.74 124.59 3jx2 s LYS 486 Ca -0.06 0.21 -0.05 0.00 -1.56 0.00 0.00 55.97 54.51 3jx2 s LYS 486 Cb -0.15 -3.60 0.02 0.00 -1.46 0.00 0.00 37.83 32.64 3jx2 s LYS 486 CO -0.03 -0.19 0.91 -0.65 0.16 0.00 0.00 175.35 175.56 3jx2 s GLN 487 N 1.78 2.73 0.22 4.03 -1.52 -0.98 -5.00 119.66 120.93 3jx2 s GLN 487 Ca 0.19 -0.12 -0.08 0.00 -1.95 0.00 0.00 55.36 53.41 3jx2 s GLN 487 Cb -0.15 -2.27 0.34 0.00 -0.22 0.00 0.00 33.01 30.71 3jx2 s GLN 487 CO 0.09 -0.81 1.74 -1.00 -0.25 0.00 0.00 175.29 175.06 3jx2 h PRO 488 N -0.25 0.43 0.00 2.91 0.13 -1.98 -2.94 132.00 130.31 3jx2 h PRO 488 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3jx2 h PRO 488 Cb 1.27 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3jx2 h PRO 488 CO 0.60 0.29 0.00 -0.40 -0.23 0.00 0.00 178.00 178.26 3jx2 n ASP 489 N -4.98 0.00 0.00 1.44 3.85 -1.26 -4.87 116.55 110.73 3jx2 n ASP 489 Ca 0.11 -0.28 0.00 0.00 -0.71 0.00 0.00 54.79 53.91 3jx2 n ASP 489 Cb 0.31 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 3jx2 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jx2 n GLY 490 N 0.07 3.23 3.45 6.12 0.00 -1.11 -5.06 105.19 111.89 3jx2 n GLY 490 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3jx2 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx2 s SER 491 N -1.08 0.11 0.02 1.61 1.04 -1.26 -4.77 113.70 109.37 3jx2 s SER 491 Ca 0.00 0.90 0.05 0.00 0.48 0.00 0.00 55.95 57.38 3jx2 s SER 491 Cb 0.00 -1.32 -0.02 0.00 0.10 0.00 0.00 66.02 64.79 3jx2 s SER 491 CO 0.00 -4.65 -0.14 -0.89 0.98 0.00 0.00 173.24 168.53 3jx2 s THR 492 N -2.59 1.14 -0.12 2.02 2.01 -1.26 -2.32 115.64 114.52 3jx2 s THR 492 Ca 0.69 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 3jx2 s THR 492 Cb -0.14 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 3jx2 s THR 492 CO 0.58 0.11 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.35 3jx2 s LEU 493 N -0.88 3.16 0.00 4.42 2.96 -0.49 -4.96 118.68 122.88 3jx2 s LEU 493 Ca 0.03 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3jx2 s LEU 493 Cb -0.07 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.89 3jx2 s LEU 493 CO 0.01 0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.88 3jx2 n GLY 494 N 3.10 -1.94 3.61 7.98 0.00 -1.26 -0.26 105.19 116.43 3jx2 n GLY 494 Ca -0.18 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 3jx2 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx2 s ASP 495 N -4.00 6.14 0.56 1.61 -1.08 -0.40 -4.79 116.67 114.71 3jx2 s ASP 495 Ca 0.00 1.34 0.25 0.00 -0.52 0.00 0.00 52.55 53.61 3jx2 s ASP 495 Cb 0.00 -2.53 1.61 0.00 -1.46 0.00 0.00 42.92 40.54 3jx2 s ASP 495 CO 0.00 -1.50 2.21 -0.65 0.52 0.00 0.00 175.17 175.75 3jx2 h PRO 496 N 11.74 0.00 0.00 4.34 0.11 -1.81 -2.26 132.00 144.12 3jx2 h PRO 496 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3jx2 h PRO 496 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3jx2 h PRO 496 CO 1.03 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.82 3jx2 h ALA 497 N 1.99 1.00 -0.44 -0.75 0.00 -1.91 -2.97 119.26 116.18 3jx2 h ALA 497 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3jx2 h ALA 497 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3jx2 h ALA 497 CO 0.00 0.00 0.01 0.09 0.00 0.00 0.00 179.25 179.35 3jx2 n ASN 498 N -2.80 4.87 0.36 0.00 3.02 -0.85 -4.75 115.26 115.11 3jx2 n ASN 498 Ca 0.01 -3.00 -0.18 0.00 -0.03 0.00 0.00 54.58 51.39 3jx2 n ASN 498 Cb 0.29 -0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 38.74 3jx2 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx2 h VAL 499 N 2.95 0.35 -0.26 2.41 2.07 -1.63 -0.63 116.25 121.52 3jx2 h VAL 499 Ca 0.01 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3jx2 h VAL 499 Cb 1.76 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 3jx2 h VAL 499 CO 0.38 0.00 0.02 -0.61 0.02 0.00 0.00 177.57 177.39 3jx2 h GLN 500 N -0.89 0.11 0.00 1.57 4.15 -1.86 -0.60 115.11 117.58 3jx2 h GLN 500 Ca -0.09 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 3jx2 h GLN 500 Cb 0.68 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 3jx2 h GLN 500 CO 0.15 0.07 -0.17 0.35 -1.93 0.00 0.00 178.83 177.30 3jx2 h PHE 501 N 0.11 0.00 0.04 3.99 3.57 -1.89 -1.85 116.94 120.92 3jx2 h PHE 501 Ca 0.12 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3jx2 h PHE 501 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3jx2 h PHE 501 CO -0.18 0.17 -0.02 1.15 -2.23 0.00 0.00 178.31 177.20 3jx2 h THR 502 N 0.00 1.30 -0.52 4.41 2.02 -0.15 -2.75 112.91 117.22 3jx2 h THR 502 Ca -0.00 -1.17 0.08 0.00 0.77 0.00 0.00 66.41 66.09 3jx2 h THR 502 Cb 0.39 2.07 -0.10 0.00 -1.74 0.00 0.00 68.15 68.77 3jx2 h THR 502 CO 0.02 0.29 -0.47 -0.33 0.37 0.00 0.00 175.52 175.41 3jx2 h GLU 503 N -0.58 -0.27 -0.11 6.66 5.08 -0.68 0.29 114.58 124.97 3jx2 h GLU 503 Ca -0.01 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3jx2 h GLU 503 Cb 0.52 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3jx2 h GLU 503 CO 0.01 -0.18 -0.09 0.82 -1.00 0.00 0.00 179.01 178.57 3jx2 h ILE 504 N -0.28 0.00 -0.76 3.13 2.04 -1.43 0.12 117.51 120.33 3jx2 h ILE 504 Ca 0.15 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.08 3jx2 h ILE 504 Cb 0.57 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.56 3jx2 h ILE 504 CO -0.65 0.00 -0.45 0.00 0.00 0.00 0.00 178.15 177.04 3jx2 h ILE 506 N 0.00 0.12 -0.85 0.00 2.04 0.11 0.40 117.51 119.33 3jx2 h ILE 506 Ca 0.12 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.10 3jx2 h ILE 506 Cb 0.31 0.12 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 3jx2 h ILE 506 CO -0.72 0.00 0.55 -0.61 0.00 0.00 0.00 178.15 177.37 3jx2 h GLN 507 N -0.01 0.72 0.00 2.37 4.15 0.22 -0.35 115.11 122.20 3jx2 h GLN 507 Ca 0.40 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.78 3jx2 h GLN 507 Cb 0.63 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.15 3jx2 h GLN 507 CO -0.89 0.47 -0.06 1.96 -1.93 0.00 0.00 178.83 178.38 3jx2 h GLN 508 N 0.74 0.00 0.00 1.69 1.08 0.22 -3.47 115.11 115.37 3jx2 h GLN 508 Ca 0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 3jx2 h GLN 508 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3jx2 h GLN 508 CO -0.17 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.12 3jx2 n GLY 509 N 1.22 1.12 3.62 3.46 0.00 -0.14 -4.92 105.19 109.54 3jx2 n GLY 509 Ca 0.05 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.49 3jx2 n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3jx2 n TRP 510 N 0.00 1.43 -2.84 1.61 -0.00 -1.18 -4.93 117.44 111.52 3jx2 n TRP 510 Ca 0.00 0.81 -0.43 0.00 -0.00 0.00 0.00 57.50 57.88 3jx2 n TRP 510 Cb 0.00 -2.28 -0.04 0.00 -0.00 0.00 0.00 31.31 28.99 3jx2 n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3jx2 s LYS 511 N 1.38 3.65 -0.22 5.87 -0.14 -1.26 -4.45 119.74 124.56 3jx2 s LYS 511 Ca 0.92 0.29 -0.29 0.00 -1.36 0.00 0.00 55.97 55.53 3jx2 s LYS 511 Cb -1.15 -3.87 0.01 0.00 -1.68 0.00 0.00 37.83 31.14 3jx2 s LYS 511 CO 0.59 -1.08 1.03 0.00 -0.76 0.00 0.00 175.35 175.12 3jx2 s ALA 512 N 3.56 3.67 0.41 5.17 0.00 -1.26 -4.93 121.76 128.37 3jx2 s ALA 512 Ca 0.36 0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.58 3jx2 s ALA 512 Cb -0.11 -3.53 0.87 0.00 0.00 0.00 0.00 23.12 20.34 3jx2 s ALA 512 CO 0.23 -1.02 2.03 -1.35 0.00 0.00 0.00 175.76 175.65 3jx2 h PRO 513 N 7.44 0.55 -5.39 0.00 0.11 -2.00 -3.47 132.00 129.23 3jx2 h PRO 513 Ca -0.20 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.59 3jx2 h PRO 513 Cb 1.07 -0.12 0.17 0.00 0.11 0.00 0.00 31.00 32.22 3jx2 h PRO 513 CO 0.97 0.37 -0.75 0.54 -0.21 0.00 0.00 178.00 178.92 3jx2 n ARG 514 N -4.47 -5.05 -2.85 1.05 1.74 -1.26 -5.06 116.66 100.77 3jx2 n ARG 514 Ca 0.06 0.80 -0.11 0.00 -0.77 0.00 0.00 57.85 57.83 3jx2 n ARG 514 Cb 0.14 -5.64 -0.02 0.00 -1.02 0.00 0.00 32.46 25.92 3jx2 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jx2 n GLY 515 N -1.16 3.90 0.13 -0.13 0.00 -1.26 -5.08 105.19 101.59 3jx2 n GLY 515 Ca -0.21 -2.26 0.01 0.00 0.00 0.00 0.00 46.02 43.56 3jx2 n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jx2 h ARG 516 N 0.00 0.00 -2.08 1.61 2.43 -1.93 -3.37 114.38 111.04 3jx2 h ARG 516 Ca -0.14 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.51 3jx2 h ARG 516 Cb 0.43 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.58 3jx2 h ARG 516 CO 0.23 0.58 -1.02 1.19 -1.51 0.00 0.00 179.97 179.44 3jx2 n PHE 517 N -3.29 1.23 -2.88 2.20 3.01 -1.26 -4.25 117.46 112.22 3jx2 n PHE 517 Ca 0.01 -3.85 -0.42 0.00 1.01 0.00 0.00 57.45 54.21 3jx2 n PHE 517 Cb 0.74 -0.44 -0.04 0.00 -0.01 0.00 0.00 39.48 39.74 3jx2 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx2 s ASP 518 N -2.51 6.70 -0.12 4.37 1.01 -1.26 -4.95 116.67 119.91 3jx2 s ASP 518 Ca 0.41 0.69 -0.29 0.00 0.71 0.00 0.00 52.55 54.07 3jx2 s ASP 518 Cb 0.30 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.76 3jx2 s ASP 518 CO -0.09 -0.69 1.40 -0.69 0.21 0.00 0.00 175.17 175.31 3jx2 s VAL 519 N 3.13 4.01 0.75 -1.27 1.01 -1.26 -1.15 120.40 125.63 3jx2 s VAL 519 Ca 0.35 1.24 -0.13 0.00 0.00 0.00 0.00 61.98 63.44 3jx2 s VAL 519 Cb -0.13 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.49 3jx2 s VAL 519 CO 0.14 -0.10 1.12 -0.76 0.00 0.00 0.00 175.10 175.50 3jx2 s LEU 520 N 3.62 3.17 0.72 3.92 1.43 -0.11 -4.92 118.68 126.52 3jx2 s LEU 520 Ca 0.62 2.02 -0.11 0.00 -1.03 0.00 0.00 54.13 55.63 3jx2 s LEU 520 Cb -0.26 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.43 3jx2 s LEU 520 CO 0.20 -2.09 1.07 -2.16 0.23 0.00 0.00 176.35 173.60 3jx2 s PRO 521 N -4.43 2.72 0.10 1.29 0.04 -1.26 -4.75 135.00 128.70 3jx2 s PRO 521 Ca 0.66 0.84 -0.25 0.00 0.04 0.00 0.00 61.00 62.29 3jx2 s PRO 521 Cb -0.21 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 3jx2 s PRO 521 CO 0.50 -1.22 0.75 -0.51 0.04 0.00 0.00 177.00 176.55 3jx2 s LEU 522 N -5.59 4.52 -0.33 -3.56 1.43 0.64 -4.88 118.68 110.91 3jx2 s LEU 522 Ca 0.59 1.51 -0.02 0.00 -1.03 0.00 0.00 54.13 55.18 3jx2 s LEU 522 Cb -0.14 -3.23 0.06 0.00 0.03 0.00 0.00 46.19 42.92 3jx2 s LEU 522 CO 0.55 0.12 0.06 -0.22 0.23 0.00 0.00 176.35 177.08 3jx2 s LEU 523 N -0.60 4.27 -0.11 1.79 2.96 -1.26 -1.17 118.68 124.56 3jx2 s LEU 523 Ca 0.36 -1.47 0.03 0.00 -0.22 0.00 0.00 54.13 52.83 3jx2 s LEU 523 Cb -0.21 -1.75 -0.00 0.00 0.50 0.00 0.00 46.19 44.73 3jx2 s LEU 523 CO 0.24 -0.33 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.96 3jx2 s LEU 524 N 1.22 2.20 -0.26 -0.68 1.43 -0.63 -1.88 118.68 120.08 3jx2 s LEU 524 Ca -0.01 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 3jx2 s LEU 524 Cb -0.20 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 3jx2 s LEU 524 CO -0.02 0.15 0.08 -1.58 0.23 0.00 0.00 176.35 175.20 3jx2 s GLN 525 N 0.43 3.52 0.01 1.70 0.74 -0.55 -0.25 119.66 125.26 3jx2 s GLN 525 Ca -0.16 -0.57 0.05 0.00 0.05 0.00 0.00 55.36 54.73 3jx2 s GLN 525 Cb -0.17 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.56 3jx2 s GLN 525 CO 0.07 -0.25 -0.12 0.00 -0.55 0.00 0.00 175.29 174.44 3jx2 s ALA 526 N 1.59 2.82 -1.35 1.58 0.00 -1.26 -1.15 121.76 123.98 3jx2 s ALA 526 Ca 0.06 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3jx2 s ALA 526 Cb -0.16 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.01 3jx2 s ALA 526 CO 0.03 0.59 0.28 -1.71 0.00 0.00 0.00 175.76 174.96 3jx2 n ASN 527 N 1.67 -4.72 0.00 0.00 2.85 -1.24 -0.59 115.26 113.23 3jx2 n ASN 527 Ca -0.16 -0.11 0.00 0.00 -0.11 0.00 0.00 54.58 54.20 3jx2 n ASN 527 Cb 0.52 -3.91 0.00 0.00 1.24 0.00 0.00 39.78 37.63 3jx2 n ASN 527 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3jx2 n GLY 528 N -1.11 1.08 3.76 8.20 0.00 -0.22 -4.48 105.19 112.42 3jx2 n GLY 528 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 3jx2 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx2 s ASN 529 N -2.92 4.40 0.47 1.61 0.01 0.24 -4.84 114.94 113.92 3jx2 s ASN 529 Ca 0.00 1.77 -0.22 0.00 -0.71 0.00 0.00 52.86 53.70 3jx2 s ASN 529 Cb 0.00 -2.47 -0.10 0.00 0.41 0.00 0.00 41.25 39.09 3jx2 s ASN 529 CO 0.00 -2.09 0.75 0.47 -1.51 0.00 0.00 177.10 174.72 3jx2 n ASP 530 N -3.56 0.01 -4.88 -1.22 8.00 -1.26 -4.37 116.55 109.27 3jx2 n ASP 530 Ca 0.09 0.90 -0.30 0.00 0.71 0.00 0.00 54.79 56.19 3jx2 n ASP 530 Cb 0.53 -1.24 0.01 0.00 -0.02 0.00 0.00 41.12 40.40 3jx2 n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3jx2 s PRO 531 N -1.97 3.52 -0.05 -0.24 0.04 -1.26 -4.65 135.00 130.39 3jx2 s PRO 531 Ca 0.66 0.56 0.06 0.00 0.04 0.00 0.00 61.00 62.32 3jx2 s PRO 531 Cb -0.53 -2.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 3jx2 s PRO 531 CO 0.55 -0.50 -0.23 -1.21 0.04 0.00 0.00 177.00 175.65 3jx2 s GLU 532 N -5.07 2.23 0.63 4.56 2.02 0.65 -4.83 118.70 118.89 3jx2 s GLU 532 Ca 0.53 -0.81 -0.16 0.00 0.02 0.00 0.00 54.97 54.55 3jx2 s GLU 532 Cb -0.11 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.17 3jx2 s GLU 532 CO 0.51 0.36 1.10 -0.51 0.02 0.00 0.00 175.26 176.75 3jx2 s LEU 533 N -0.17 3.48 -0.13 1.80 1.43 -1.26 -1.61 118.68 122.22 3jx2 s LEU 533 Ca -0.02 2.00 -0.29 0.00 -1.03 0.00 0.00 54.13 54.80 3jx2 s LEU 533 Cb -0.12 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.61 3jx2 s LEU 533 CO 0.03 -1.47 0.71 -0.36 0.23 0.00 0.00 176.35 175.48 3jx2 s PHE 534 N -2.25 -0.69 -0.22 0.29 0.40 -0.31 -4.95 117.98 110.24 3jx2 s PHE 534 Ca 0.67 1.38 -0.12 0.00 -0.60 0.00 0.00 56.93 58.26 3jx2 s PHE 534 Cb -0.20 0.36 -0.05 0.00 0.51 0.00 0.00 43.02 43.64 3jx2 s PHE 534 CO 0.38 -0.52 0.24 -1.14 0.70 0.00 0.00 175.22 174.87 3jx2 s GLN 535 N -0.66 4.12 0.27 0.44 0.74 -1.26 -0.26 119.66 123.06 3jx2 s GLN 535 Ca -0.07 -0.10 -0.30 0.00 0.05 0.00 0.00 55.36 54.94 3jx2 s GLN 535 Cb -0.02 -3.52 -0.10 0.00 1.10 0.00 0.00 33.01 30.47 3jx2 s GLN 535 CO 0.07 0.07 1.48 0.42 -0.55 0.00 0.00 175.29 176.77 3jx2 s ILE 536 N 1.02 2.48 0.09 -2.34 1.01 -1.26 -4.90 121.20 117.31 3jx2 s ILE 536 Ca 0.12 0.41 -0.32 0.00 0.00 0.00 0.00 60.65 60.85 3jx2 s ILE 536 Cb -0.14 -3.26 -0.11 0.00 0.01 0.00 0.00 42.46 38.96 3jx2 s ILE 536 CO 0.05 0.07 1.81 -2.65 0.00 0.00 0.00 174.94 174.21 3jx2 n PRO 537 N 2.22 2.59 0.02 2.79 -0.02 -1.26 -4.83 135.00 136.51 3jx2 n PRO 537 Ca 0.07 0.94 0.18 0.00 -2.02 0.00 0.00 63.50 62.67 3jx2 n PRO 537 Cb 0.39 -2.81 0.67 0.00 -0.02 0.00 0.00 33.50 31.73 3jx2 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jx2 h PRO 538 N 8.30 0.04 0.00 0.52 0.11 -1.95 0.21 132.00 139.22 3jx2 h PRO 538 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3jx2 h PRO 538 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3jx2 h PRO 538 CO 0.94 0.02 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 3jx2 n GLU 539 N -4.41 0.16 0.05 1.05 0.00 -1.26 -1.23 120.64 115.01 3jx2 n GLU 539 Ca 0.08 0.38 0.12 0.00 0.00 0.00 0.00 57.16 57.74 3jx2 n GLU 539 Cb 0.53 -1.80 0.13 0.00 0.00 0.00 0.00 31.44 30.29 3jx2 n GLU 539 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3jx2 h LEU 540 N 0.00 0.00 -8.02 -1.84 4.07 -0.94 -3.44 115.31 105.15 3jx2 h LEU 540 Ca 0.00 -0.24 -0.71 0.00 0.08 0.00 0.00 57.88 57.01 3jx2 h LEU 540 Cb 0.36 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 41.91 3jx2 h LEU 540 CO 0.00 0.12 0.49 -0.69 -1.08 0.00 0.00 178.44 177.28 3jx2 s VAL 541 N -3.19 4.89 0.06 1.22 1.01 -0.36 -4.81 120.40 119.22 3jx2 s VAL 541 Ca 0.05 -1.51 -0.31 0.00 0.00 0.00 0.00 61.98 60.22 3jx2 s VAL 541 Cb 0.13 -4.64 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 3jx2 s VAL 541 CO 0.74 -1.32 1.20 -0.22 0.00 0.00 0.00 175.10 175.51 3jx2 s LEU 542 N 2.31 4.37 0.16 3.92 2.96 -1.26 -5.01 118.68 126.13 3jx2 s LEU 542 Ca 0.24 2.02 0.07 0.00 -0.22 0.00 0.00 54.13 56.24 3jx2 s LEU 542 Cb -0.11 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3jx2 s LEU 542 CO -0.04 -0.48 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.76 3jx2 s GLU 543 N 1.08 1.17 -0.18 1.98 2.02 -1.26 -1.37 118.70 122.14 3jx2 s GLU 543 Ca 0.59 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 54.19 3jx2 s GLU 543 Cb -0.30 -1.03 0.04 0.00 0.10 0.00 0.00 34.13 32.95 3jx2 s GLU 543 CO 0.29 0.19 -0.09 0.08 0.02 0.00 0.00 175.26 175.75 3jx2 s VAL 544 N -2.47 1.41 0.21 2.63 1.01 -0.13 -4.91 120.40 118.14 3jx2 s VAL 544 Ca 0.15 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 3jx2 s VAL 544 Cb -0.03 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 3jx2 s VAL 544 CO 0.05 0.20 1.33 -2.84 0.00 0.00 0.00 175.10 173.83 3jx2 s PRO 545 N 1.51 4.37 -0.20 2.72 0.02 -1.26 -1.83 135.00 140.33 3jx2 s PRO 545 Ca 0.01 2.09 -0.13 0.00 0.02 0.00 0.00 61.00 62.98 3jx2 s PRO 545 Cb -0.15 -3.18 -0.05 0.00 0.02 0.00 0.00 34.50 31.14 3jx2 s PRO 545 CO -0.08 -0.27 0.27 0.42 -0.33 0.00 0.00 177.00 177.00 3jx2 s ILE 546 N 0.09 5.30 0.21 2.83 -1.09 0.09 -4.85 121.20 123.78 3jx2 s ILE 546 Ca 0.57 0.45 0.02 0.00 -2.23 0.00 0.00 60.65 59.46 3jx2 s ILE 546 Cb -0.37 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 3jx2 s ILE 546 CO 0.39 0.34 0.03 0.00 -1.23 0.00 0.00 174.94 174.46 3jx2 s ARG 547 N 0.90 1.24 -0.08 2.79 3.03 -1.26 -4.15 118.95 121.42 3jx2 s ARG 547 Ca 0.14 -1.63 0.00 0.00 2.03 0.00 0.00 55.73 56.27 3jx2 s ARG 547 Cb -0.13 -0.34 -0.03 0.00 -1.03 0.00 0.00 34.95 33.41 3jx2 s ARG 547 CO 0.05 -0.17 -0.06 -1.58 -1.13 0.00 0.00 175.30 172.41 3jx2 s HIS 548 N -3.63 2.97 0.35 5.89 2.46 -1.25 -4.35 115.29 117.72 3jx2 s HIS 548 Ca 0.29 -0.01 0.03 0.00 0.47 0.00 0.00 55.06 55.84 3jx2 s HIS 548 Cb 0.06 -1.75 0.66 0.00 -0.13 0.00 0.00 32.58 31.42 3jx2 s HIS 548 CO 0.08 0.29 2.00 -1.00 -2.47 0.00 0.00 174.74 173.64 3jx2 h PRO 549 N 5.43 0.82 0.00 2.88 0.13 -1.92 -3.28 132.00 136.06 3jx2 h PRO 549 Ca -0.46 -0.05 -0.29 0.00 -0.87 0.00 0.00 66.00 64.32 3jx2 h PRO 549 Cb 1.18 -0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.07 3jx2 h PRO 549 CO 0.54 0.54 -2.10 1.63 -0.23 0.00 0.00 178.00 178.37 3jx2 n LYS 550 N -4.45 0.74 -2.84 0.86 5.02 -1.26 -4.91 118.16 111.32 3jx2 n LYS 550 Ca 0.08 0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 56.02 3jx2 n LYS 550 Cb 0.09 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 33.67 3jx2 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx2 s PHE 551 N -2.39 2.80 0.05 2.13 0.08 -1.24 -4.89 117.98 114.52 3jx2 s PHE 551 Ca -0.22 -0.03 0.23 0.00 0.12 0.00 0.00 56.93 57.03 3jx2 s PHE 551 Cb 0.06 -4.07 0.75 0.00 -0.57 0.00 0.00 43.02 39.20 3jx2 s PHE 551 CO 0.50 -1.35 1.75 0.22 -0.10 0.00 0.00 175.22 176.24 3jx2 h ASP 552 N 9.31 0.00 0.82 1.36 3.58 -1.91 -2.98 116.42 126.60 3jx2 h ASP 552 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3jx2 h ASP 552 Cb 1.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 3jx2 h ASP 552 CO 1.09 0.25 0.00 -2.67 -2.88 0.00 0.00 179.24 175.03 3jx2 n TRP 553 N -3.34 0.61 -0.28 0.28 4.27 -1.26 -3.99 117.44 113.73 3jx2 n TRP 553 Ca 0.01 0.23 -0.05 0.00 -3.89 0.00 0.00 57.50 53.79 3jx2 n TRP 553 Cb 0.48 -0.86 0.06 0.00 -1.36 0.00 0.00 31.31 29.63 3jx2 n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3jx2 h PHE 554 N 0.00 1.01 -0.40 -2.67 3.04 -1.90 -2.33 116.94 113.69 3jx2 h PHE 554 Ca 0.00 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.96 3jx2 h PHE 554 Cb 0.41 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 3jx2 h PHE 554 CO 0.00 0.68 0.27 1.57 -2.02 0.00 0.00 178.31 178.81 3jx2 h LYS 555 N 1.05 0.46 0.00 1.11 2.10 -1.72 -1.92 116.57 117.65 3jx2 h LYS 555 Ca 0.27 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3jx2 h LYS 555 Cb -0.03 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.20 3jx2 h LYS 555 CO -0.05 0.30 0.00 -0.25 -2.00 0.00 0.00 179.45 177.45 3jx2 n ASP 556 N -4.48 0.00 0.31 7.07 8.00 -0.88 -1.69 116.55 124.88 3jx2 n ASP 556 Ca 0.04 0.27 0.20 0.00 0.71 0.00 0.00 54.79 56.00 3jx2 n ASP 556 Cb 0.11 -0.40 0.99 0.00 -0.02 0.00 0.00 41.12 41.81 3jx2 n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jx2 h LEU 557 N 0.00 0.00 0.00 0.64 3.38 -1.39 -3.47 115.31 114.47 3jx2 h LEU 557 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jx2 h LEU 557 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3jx2 h LEU 557 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3jx2 n GLY 558 N -0.73 0.46 3.81 0.83 0.00 -0.68 -5.03 105.19 103.85 3jx2 n GLY 558 Ca -0.02 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 3jx2 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx2 s LEU 559 N 0.00 4.49 0.15 0.99 1.43 -1.26 -5.01 118.68 119.47 3jx2 s LEU 559 Ca 0.00 1.27 -0.05 0.00 -1.03 0.00 0.00 54.13 54.32 3jx2 s LEU 559 Cb 0.00 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 3jx2 s LEU 559 CO 0.00 0.22 0.17 -1.59 0.23 0.00 0.00 176.35 175.39 3jx2 s LYS 560 N -1.32 1.07 0.18 1.70 -2.85 -1.26 -0.73 119.74 116.52 3jx2 s LYS 560 Ca 0.32 -1.34 -0.00 0.00 -1.00 0.00 0.00 55.97 53.95 3jx2 s LYS 560 Cb -0.19 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 35.85 3jx2 s LYS 560 CO 0.20 -0.35 0.07 -0.46 0.10 0.00 0.00 175.35 174.91 3jx2 s TRP 561 N -4.02 1.14 0.32 1.78 -0.11 -0.76 -4.93 118.94 112.35 3jx2 s TRP 561 Ca 0.22 -1.22 -0.08 0.00 1.22 0.00 0.00 56.10 56.24 3jx2 s TRP 561 Cb 0.05 -0.63 -0.06 0.00 -1.50 0.00 0.00 33.47 31.34 3jx2 s TRP 561 CO 0.02 -0.45 0.63 1.52 -4.62 0.00 0.00 176.95 174.05 3jx2 s TYR 562 N -3.94 3.46 -0.20 5.86 -0.85 -1.26 -0.95 117.35 119.46 3jx2 s TYR 562 Ca 0.31 0.85 0.17 0.00 -0.52 0.00 0.00 57.07 57.87 3jx2 s TYR 562 Cb 0.07 -2.27 0.07 0.00 0.38 0.00 0.00 41.96 40.22 3jx2 s TYR 562 CO 0.07 0.09 1.35 0.78 -1.52 0.00 0.00 175.55 176.33 3jx2 h GLY 563 N 1.72 0.00 -7.49 5.49 0.00 -1.57 -3.45 103.07 97.76 3jx2 h GLY 563 Ca -0.47 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.14 3jx2 h GLY 563 CO 0.66 0.00 -0.49 -2.27 0.00 0.00 0.00 176.54 174.44 3jx2 s LEU 564 N -6.26 5.01 -0.14 3.11 2.96 -1.26 -4.52 118.68 117.57 3jx2 s LEU 564 Ca 0.03 -1.39 -0.21 0.00 -0.22 0.00 0.00 54.13 52.34 3jx2 s LEU 564 Cb 0.07 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3jx2 s LEU 564 CO 0.75 -0.49 0.60 -2.16 -1.32 0.00 0.00 176.35 173.72 3jx2 s PRO 565 N 1.44 4.30 -0.30 0.98 0.04 -1.26 -4.69 135.00 135.51 3jx2 s PRO 565 Ca 0.02 0.63 -0.01 0.00 0.04 0.00 0.00 61.00 61.68 3jx2 s PRO 565 Cb -0.22 -3.51 0.13 0.00 0.04 0.00 0.00 34.50 30.94 3jx2 s PRO 565 CO 0.03 -0.05 0.24 0.00 0.04 0.00 0.00 177.00 177.26 3jx2 s ALA 566 N 1.28 -0.03 0.01 8.56 0.00 -1.26 -2.48 121.76 127.84 3jx2 s ALA 566 Ca 0.30 -0.69 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 3jx2 s ALA 566 Cb -0.16 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 3jx2 s ALA 566 CO 0.12 -1.74 1.24 0.08 0.00 0.00 0.00 175.76 175.46 3jx2 s VAL 567 N 2.15 4.03 0.00 0.00 1.01 0.14 -1.10 120.40 126.64 3jx2 s VAL 567 Ca 0.10 1.42 0.00 0.00 0.00 0.00 0.00 61.98 63.50 3jx2 s VAL 567 Cb -0.15 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3jx2 s VAL 567 CO -0.31 0.05 0.60 -1.54 0.00 0.00 0.00 175.10 173.91 3jx2 n SER 568 N 4.60 1.20 -0.90 3.32 3.41 -0.11 -0.85 113.62 124.30 3jx2 n SER 568 Ca 0.10 -1.23 0.08 0.00 -0.26 0.00 0.00 58.87 57.57 3jx2 n SER 568 Cb 0.46 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.66 3jx2 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx2 n ASN 569 N -0.11 3.84 -4.72 4.04 6.94 -1.23 -4.47 115.26 119.54 3jx2 n ASN 569 Ca 0.00 -2.89 -0.23 0.00 -0.02 0.00 0.00 54.58 51.45 3jx2 n ASN 569 Cb 0.06 -0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 36.91 3jx2 n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3jx2 s MET 570 N -2.59 2.53 -0.13 -3.83 -1.94 -1.26 -4.30 119.30 107.76 3jx2 s MET 570 Ca 0.40 -1.31 -0.03 0.00 -1.71 0.00 0.00 55.69 53.05 3jx2 s MET 570 Cb 0.32 -2.31 -0.03 0.00 2.01 0.00 0.00 34.83 34.82 3jx2 s MET 570 CO 0.10 0.34 -0.04 -1.17 -0.01 0.00 0.00 175.02 174.24 3jx2 s LEU 571 N -3.76 3.26 -0.23 -0.03 0.20 0.03 -4.25 118.68 113.90 3jx2 s LEU 571 Ca 0.33 -0.09 -0.09 0.00 0.69 0.00 0.00 54.13 54.98 3jx2 s LEU 571 Cb -0.06 -1.77 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 3jx2 s LEU 571 CO 0.22 0.22 0.11 -0.22 -0.29 0.00 0.00 176.35 176.39 3jx2 s LEU 572 N 0.05 3.77 -0.20 -0.68 2.96 -0.15 -0.45 118.68 123.98 3jx2 s LEU 572 Ca -0.00 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 3jx2 s LEU 572 Cb -0.13 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 3jx2 s LEU 572 CO 0.03 0.04 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.38 3jx2 s GLU 573 N 1.19 3.55 -0.09 1.98 2.12 0.19 -0.62 118.70 127.02 3jx2 s GLU 573 Ca 0.06 -0.55 -0.00 0.00 0.36 0.00 0.00 54.97 54.83 3jx2 s GLU 573 Cb -0.14 -3.05 0.02 0.00 0.26 0.00 0.00 34.13 31.23 3jx2 s GLU 573 CO 0.04 -0.03 -0.04 0.42 -0.54 0.00 0.00 175.26 175.11 3jx2 s ILE 574 N 1.09 0.72 -1.17 -3.70 1.01 -0.66 -1.86 121.20 116.63 3jx2 s ILE 574 Ca 0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 3jx2 s ILE 574 Cb -0.14 -0.78 0.09 0.00 0.01 0.00 0.00 42.46 41.63 3jx2 s ILE 574 CO 0.01 0.31 0.41 0.61 0.00 0.00 0.00 174.94 176.28 3jx2 n GLY 575 N 4.86 -0.47 0.00 6.18 0.00 -1.26 -0.41 105.19 114.08 3jx2 n GLY 575 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3jx2 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx2 n GLY 576 N -1.02 2.26 3.81 -0.02 0.00 -1.26 -2.96 105.19 106.00 3jx2 n GLY 576 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3jx2 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx2 s LEU 577 N 0.00 4.43 -0.34 0.99 1.43 0.45 -5.03 118.68 120.60 3jx2 s LEU 577 Ca 0.00 1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 54.41 3jx2 s LEU 577 Cb 0.00 -3.32 0.06 0.00 0.03 0.00 0.00 46.19 42.96 3jx2 s LEU 577 CO 0.00 0.13 0.08 -1.61 0.23 0.00 0.00 176.35 175.18 3jx2 s GLU 578 N -1.64 2.46 -0.70 1.70 2.02 -1.26 -1.65 118.70 119.63 3jx2 s GLU 578 Ca 0.38 -1.32 -0.16 0.00 0.02 0.00 0.00 54.97 53.89 3jx2 s GLU 578 Cb -0.18 -3.38 0.16 0.00 0.10 0.00 0.00 34.13 30.83 3jx2 s GLU 578 CO 0.21 -0.72 0.71 -0.06 0.02 0.00 0.00 175.26 175.42 3jx2 s PHE 579 N 1.31 3.37 -1.90 1.61 0.40 0.21 -0.26 117.98 122.72 3jx2 s PHE 579 Ca -0.02 -1.49 0.22 0.00 -0.60 0.00 0.00 56.93 55.05 3jx2 s PHE 579 Cb -0.20 -3.91 1.26 0.00 0.51 0.00 0.00 43.02 40.68 3jx2 s PHE 579 CO 0.00 -1.12 1.68 -1.13 0.70 0.00 0.00 175.22 175.35 3jx2 n SER 580 N 5.16 0.00 -3.64 1.36 3.41 -1.26 -0.97 113.62 117.67 3jx2 n SER 580 Ca 0.01 -0.56 -0.28 0.00 -0.26 0.00 0.00 58.87 57.78 3jx2 n SER 580 Cb 0.44 -0.05 -0.16 0.00 -0.26 0.00 0.00 64.21 64.18 3jx2 n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jx2 s ALA 581 N -2.10 0.90 -0.37 7.33 0.00 -1.23 -4.45 121.76 121.84 3jx2 s ALA 581 Ca 0.30 -1.00 0.13 0.00 0.00 0.00 0.00 51.96 51.39 3jx2 s ALA 581 Cb 0.15 -1.34 0.42 0.00 0.00 0.00 0.00 23.12 22.35 3jx2 s ALA 581 CO 0.26 -1.46 1.18 0.00 0.00 0.00 0.00 175.76 175.74 3jx2 n PRO 583 N -0.35 0.88 -4.06 0.00 -0.04 -1.19 -4.52 135.00 125.71 3jx2 n PRO 583 Ca 0.02 0.31 -0.08 0.00 -0.04 0.00 0.00 63.50 63.71 3jx2 n PRO 583 Cb 0.83 -1.70 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 3jx2 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jx2 s PHE 584 N -0.47 0.48 -0.01 0.54 -0.12 -0.03 -1.60 117.98 116.78 3jx2 s PHE 584 Ca 0.71 -0.84 -0.11 0.00 -0.05 0.00 0.00 56.93 56.64 3jx2 s PHE 584 Cb -0.88 -0.34 0.01 0.00 -0.63 0.00 0.00 43.02 41.18 3jx2 s PHE 584 CO 0.55 -0.28 0.22 -1.54 -0.05 0.00 0.00 175.22 174.12 3jx2 s SER 585 N -2.37 -0.09 0.00 1.98 1.04 0.05 0.28 113.70 114.59 3jx2 s SER 585 Ca -0.01 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3jx2 s SER 585 Cb 0.01 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3jx2 s SER 585 CO -0.06 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.39 3jx2 n GLY 586 N 1.47 4.20 3.15 7.32 0.00 -1.03 -1.57 105.19 118.72 3jx2 n GLY 586 Ca -0.22 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 3jx2 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx2 s TRP 587 N 3.18 0.14 0.38 1.61 -2.14 -1.26 -4.44 118.94 116.40 3jx2 s TRP 587 Ca 0.00 -0.42 -0.27 0.00 2.66 0.00 0.00 56.10 58.07 3jx2 s TRP 587 Cb 0.00 -0.10 -0.09 0.00 -3.10 0.00 0.00 33.47 30.18 3jx2 s TRP 587 CO 0.00 -0.40 1.24 0.71 -2.66 0.00 0.00 176.95 175.84 3jx2 s TYR 588 N -2.68 3.02 0.10 1.66 1.51 -1.26 -4.88 117.35 114.81 3jx2 s TYR 588 Ca -0.04 1.49 -0.20 0.00 -1.01 0.00 0.00 57.07 57.30 3jx2 s TYR 588 Cb -0.01 -3.54 -0.07 0.00 -0.11 0.00 0.00 41.96 38.23 3jx2 s TYR 588 CO -0.05 -1.64 0.61 1.41 -1.11 0.00 0.00 175.55 174.78 3jx2 s MET 589 N -2.10 4.26 0.31 -0.62 -2.45 -1.26 -1.09 119.30 116.36 3jx2 s MET 589 Ca 0.54 0.81 0.04 0.00 -1.25 0.00 0.00 55.69 55.84 3jx2 s MET 589 Cb -0.35 -3.22 0.65 0.00 1.25 0.00 0.00 34.83 33.16 3jx2 s MET 589 CO 0.45 0.61 1.85 0.78 1.05 0.00 0.00 175.02 179.77 3jx2 h GLY 590 N 4.42 1.48 2.00 2.11 0.00 -0.67 -2.36 103.07 110.05 3jx2 h GLY 590 Ca -0.49 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 3jx2 h GLY 590 CO 0.64 0.14 -0.05 -0.91 0.00 0.00 0.00 176.54 176.36 3jx2 h THR 591 N 0.88 0.85 -0.95 4.70 1.35 -1.94 -0.99 112.91 116.82 3jx2 h THR 591 Ca 0.48 -0.17 0.12 0.00 -0.55 0.00 0.00 66.41 66.29 3jx2 h THR 591 Cb 0.57 1.10 -0.08 0.00 -1.73 0.00 0.00 68.15 68.00 3jx2 h THR 591 CO -0.24 0.05 0.58 -0.33 -0.25 0.00 0.00 175.52 175.32 3jx2 h GLU 592 N 0.00 0.88 0.00 4.72 5.08 -1.83 -0.32 114.58 123.11 3jx2 h GLU 592 Ca -0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3jx2 h GLU 592 Cb 0.09 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3jx2 h GLU 592 CO 0.01 0.58 -0.37 0.82 -1.00 0.00 0.00 179.01 179.05 3jx2 h ILE 593 N 0.91 0.36 -0.38 3.13 2.04 -1.58 -2.02 117.51 119.97 3jx2 h ILE 593 Ca 0.47 -1.34 -0.15 0.00 1.00 0.00 0.00 64.86 64.84 3jx2 h ILE 593 Cb 0.49 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3jx2 h ILE 593 CO -0.27 0.12 -0.36 1.23 0.00 0.00 0.00 178.15 178.87 3jx2 h GLY 594 N -1.00 0.95 0.00 5.37 0.00 -1.21 0.71 103.07 107.89 3jx2 h GLY 594 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.34 3jx2 h GLY 594 CO -0.03 0.85 -0.09 -2.08 0.00 0.00 0.00 176.54 175.20 3jx2 h VAL 595 N 0.72 0.00 0.07 4.60 2.07 -1.28 -3.34 116.25 119.09 3jx2 h VAL 595 Ca 0.07 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3jx2 h VAL 595 Cb 0.93 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3jx2 h VAL 595 CO 0.09 0.00 -0.04 0.03 0.02 0.00 0.00 177.57 177.67 3jx2 h ARG 596 N -0.63 -0.09 -0.66 1.57 2.47 -1.50 -0.85 114.38 114.68 3jx2 h ARG 596 Ca 0.00 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.67 3jx2 h ARG 596 Cb 0.09 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.40 3jx2 h ARG 596 CO 0.00 0.21 0.19 -0.91 0.56 0.00 0.00 179.97 180.01 3jx2 h ASN 597 N -1.00 0.98 0.36 7.04 2.35 -1.13 -1.88 115.58 122.30 3jx2 h ASN 597 Ca -0.01 -0.22 -0.32 0.00 -0.55 0.00 0.00 56.30 55.20 3jx2 h ASN 597 Cb 0.34 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3jx2 h ASN 597 CO 0.02 0.94 -1.64 1.88 -1.65 0.00 0.00 177.43 176.97 3jx2 h TYR 598 N 0.97 0.49 0.00 1.19 0.99 -1.03 -1.57 116.97 118.01 3jx2 h TYR 598 Ca 0.21 -0.36 0.00 0.00 2.00 0.00 0.00 58.73 60.58 3jx2 h TYR 598 Cb 0.32 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.04 3jx2 h TYR 598 CO 0.02 1.47 -1.37 0.00 -0.00 0.00 0.00 178.16 178.28 3jx2 n ASP 600 N -1.80 -0.41 0.12 0.00 10.43 -0.71 -4.65 116.55 119.53 3jx2 n ASP 600 Ca -0.01 0.78 -0.02 0.00 2.57 0.00 0.00 54.79 58.11 3jx2 n ASP 600 Cb 0.28 -1.24 0.19 0.00 1.84 0.00 0.00 41.12 42.19 3jx2 n ASP 600 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3jx2 h ASN 601 N 0.41 0.12 0.55 -2.24 -0.26 -1.92 -3.06 115.58 109.18 3jx2 h ASN 601 Ca -0.46 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.22 3jx2 h ASN 601 Cb 1.39 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.61 3jx2 h ASN 601 CO 0.49 0.64 -0.05 -1.20 -1.06 0.00 0.00 177.43 176.25 3jx2 n SER 602 N -3.90 0.16 0.00 5.81 7.64 -1.26 -4.73 113.62 117.33 3jx2 n SER 602 Ca -0.02 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.66 3jx2 n SER 602 Cb 0.56 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 3jx2 n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3jx2 n ARG 603 N -1.22 1.33 0.16 1.43 5.12 -1.16 -4.30 116.66 118.01 3jx2 n ARG 603 Ca 0.13 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 56.09 3jx2 n ARG 603 Cb 0.27 0.00 0.20 0.00 -1.16 0.00 0.00 32.46 31.77 3jx2 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx2 h TYR 604 N 0.00 0.00 -5.53 -1.55 -1.99 -1.41 -3.41 116.97 103.07 3jx2 h TYR 604 Ca 0.00 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.52 3jx2 h TYR 604 Cb 0.00 0.00 0.14 0.00 2.00 0.00 0.00 36.73 38.87 3jx2 h TYR 604 CO 0.00 0.47 -0.67 -1.71 -0.00 0.00 0.00 178.16 176.25 3jx2 n ASN 605 N -3.44 -6.76 -0.79 3.88 4.05 0.28 -4.91 115.26 107.56 3jx2 n ASN 605 Ca 0.00 -0.60 0.09 0.00 0.45 0.00 0.00 54.58 54.53 3jx2 n ASN 605 Cb 0.61 -4.99 0.12 0.00 1.23 0.00 0.00 39.78 36.75 3jx2 n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jx2 n ILE 606 N -2.98 0.24 -0.07 -1.44 -5.35 -0.67 -4.58 119.36 104.50 3jx2 n ILE 606 Ca -0.06 -0.62 -0.07 0.00 -0.27 0.00 0.00 62.75 61.73 3jx2 n ILE 606 Cb 0.59 1.17 -0.01 0.00 -1.74 0.00 0.00 39.64 39.65 3jx2 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx2 h LEU 607 N 3.46 -0.40 0.38 7.28 3.38 -1.88 0.04 115.31 127.56 3jx2 h LEU 607 Ca 0.00 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3jx2 h LEU 607 Cb 0.78 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3jx2 h LEU 607 CO 0.00 -0.15 -0.50 -0.33 0.09 0.00 0.00 178.44 177.55 3jx2 h GLU 608 N -0.07 -0.88 -0.70 1.13 5.08 -1.99 0.22 114.58 117.37 3jx2 h GLU 608 Ca 0.15 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 3jx2 h GLU 608 Cb 0.29 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 3jx2 h GLU 608 CO -0.33 -0.59 0.46 1.49 -1.00 0.00 0.00 179.01 179.04 3jx2 h GLU 609 N -0.91 0.68 -0.16 2.33 4.81 -1.82 0.19 114.58 119.70 3jx2 h GLU 609 Ca -0.04 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 3jx2 h GLU 609 Cb 0.83 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3jx2 h GLU 609 CO -0.13 0.45 -0.38 0.28 -0.73 0.00 0.00 179.01 178.50 3jx2 h VAL 610 N 0.70 1.35 -0.09 0.32 2.07 -0.65 -2.86 116.25 117.10 3jx2 h VAL 610 Ca 0.30 -1.64 -0.08 0.00 0.82 0.00 0.00 66.70 66.10 3jx2 h VAL 610 Cb 0.28 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3jx2 h VAL 610 CO -0.10 0.50 -0.31 0.00 0.02 0.00 0.00 177.57 177.68 3jx2 h ALA 611 N 0.55 1.32 0.29 1.67 0.00 -0.40 -1.64 119.26 121.05 3jx2 h ALA 611 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3jx2 h ALA 611 Cb 0.98 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3jx2 h ALA 611 CO 0.08 0.48 -0.21 0.87 0.00 0.00 0.00 179.25 180.47 3jx2 h LYS 612 N 0.15 -0.48 -0.07 0.00 1.57 -0.65 -2.00 116.57 115.09 3jx2 h LYS 612 Ca 0.02 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3jx2 h LYS 612 Cb 0.63 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 3jx2 h LYS 612 CO 0.05 -0.32 -0.29 0.87 -0.57 0.00 0.00 179.45 179.18 3jx2 h LYS 613 N -0.49 0.12 0.00 3.15 1.57 -1.25 0.15 116.57 119.82 3jx2 h LYS 613 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3jx2 h LYS 613 Cb 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3jx2 h LYS 613 CO 0.01 0.41 0.00 -1.33 -0.57 0.00 0.00 179.45 177.97 3jx2 n MET 614 N -4.15 0.30 -3.76 3.15 2.81 -0.64 -4.94 117.12 109.89 3jx2 n MET 614 Ca -0.02 0.06 -0.23 0.00 -1.81 0.00 0.00 57.70 55.71 3jx2 n MET 614 Cb 0.37 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.40 3jx2 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx2 n ASP 615 N -1.31 -1.29 -4.85 7.83 4.64 0.04 -4.99 116.55 116.61 3jx2 n ASP 615 Ca 0.11 -0.88 -0.31 0.00 -1.38 0.00 0.00 54.79 52.33 3jx2 n ASP 615 Cb 0.21 -3.77 0.02 0.00 -1.04 0.00 0.00 41.12 36.54 3jx2 n ASP 615 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3jx2 s LEU 616 N -6.71 3.18 -0.41 -2.67 1.43 -0.80 -4.98 118.68 107.72 3jx2 s LEU 616 Ca 0.04 1.47 -0.29 0.00 -1.03 0.00 0.00 54.13 54.33 3jx2 s LEU 616 Cb -0.01 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.76 3jx2 s LEU 616 CO 0.83 -1.08 1.49 -0.62 0.23 0.00 0.00 176.35 177.20 3jx2 s ASP 617 N -4.06 6.23 -0.03 2.29 3.68 -1.26 -4.86 116.67 118.66 3jx2 s ASP 617 Ca 0.56 0.87 0.17 0.00 2.13 0.00 0.00 52.55 56.28 3jx2 s ASP 617 Cb -0.12 -2.54 0.53 0.00 -1.45 0.00 0.00 42.92 39.34 3jx2 s ASP 617 CO 0.54 -1.52 1.44 0.23 0.13 0.00 0.00 175.17 176.00 3jx2 n MET 618 N 8.20 2.97 0.00 4.34 2.81 -1.26 -4.43 117.12 129.75 3jx2 n MET 618 Ca 0.17 -2.48 0.11 0.00 -1.81 0.00 0.00 57.70 53.69 3jx2 n MET 618 Cb 0.48 -1.53 0.04 0.00 -0.71 0.00 0.00 33.22 31.50 3jx2 n MET 618 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3jx2 n ARG 619 N 1.01 0.05 -3.81 0.03 1.74 -1.26 -4.79 116.66 109.63 3jx2 n ARG 619 Ca 0.20 -0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.11 3jx2 n ARG 619 Cb 0.61 -1.51 -0.16 0.00 -1.02 0.00 0.00 32.46 30.37 3jx2 n ARG 619 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3jx2 s LYS 620 N -3.04 0.08 0.62 5.56 -2.85 -1.26 -5.01 119.74 113.84 3jx2 s LYS 620 Ca 0.08 0.18 0.28 0.00 -1.00 0.00 0.00 55.97 55.51 3jx2 s LYS 620 Cb 0.16 -0.37 1.44 0.00 -2.06 0.00 0.00 37.83 37.00 3jx2 s LYS 620 CO 0.80 -0.18 1.84 1.79 0.10 0.00 0.00 175.35 179.69 3jx2 h THR 621 N 6.30 0.21 0.00 3.79 1.35 -1.91 -1.83 112.91 120.82 3jx2 h THR 621 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3jx2 h THR 621 Cb 1.12 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3jx2 h THR 621 CO 0.43 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.16 3jx2 n SER 622 N -3.35 0.00 0.04 5.36 3.41 -1.26 -1.63 113.62 116.19 3jx2 n SER 622 Ca 0.05 -0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.67 3jx2 n SER 622 Cb 0.62 -0.28 0.50 0.00 -0.26 0.00 0.00 64.21 64.79 3jx2 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx2 n SER 623 N -1.28 0.25 -2.77 4.04 3.41 -0.69 -4.91 113.62 111.68 3jx2 n SER 623 Ca 0.13 0.53 -0.20 0.00 -0.26 0.00 0.00 58.87 59.07 3jx2 n SER 623 Cb 0.21 -0.60 0.04 0.00 -0.26 0.00 0.00 64.21 63.60 3jx2 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jx2 n LEU 624 N -1.74 -2.69 -0.23 1.04 4.77 -0.65 -4.90 117.00 112.60 3jx2 n LEU 624 Ca 0.05 -0.30 -0.05 0.00 -0.03 0.00 0.00 56.01 55.69 3jx2 n LEU 624 Cb 0.31 -2.68 0.10 0.00 -2.33 0.00 0.00 43.42 38.83 3jx2 n LEU 624 CO 0.24 0.28 0.99 4.11 -1.33 0.00 0.00 177.39 181.69 3jx2 h TRP 625 N -1.46 1.10 -0.37 -1.77 5.08 -1.81 -0.02 115.95 116.69 3jx2 h TRP 625 Ca -0.47 -0.10 -0.01 0.00 1.08 0.00 0.00 58.89 59.39 3jx2 h TRP 625 Cb 1.32 -0.32 -0.02 0.00 -3.00 0.00 0.00 29.16 27.14 3jx2 h TRP 625 CO 0.45 0.87 0.20 0.87 -1.28 0.00 0.00 178.44 179.55 3jx2 h LYS 626 N 1.02 0.51 -0.72 0.12 1.57 -1.90 -0.81 116.57 116.36 3jx2 h LYS 626 Ca 0.22 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3jx2 h LYS 626 Cb 0.29 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3jx2 h LYS 626 CO -0.01 0.43 0.32 -0.44 -0.57 0.00 0.00 179.45 179.19 3jx2 h ASP 627 N 0.46 0.95 0.52 0.86 5.19 -1.83 0.62 116.42 123.20 3jx2 h ASP 627 Ca 0.13 -0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 3jx2 h ASP 627 Cb 0.07 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 39.34 3jx2 h ASP 627 CO -0.02 0.82 -0.25 1.56 -3.12 0.00 0.00 179.24 178.24 3jx2 h GLN 628 N 1.03 -0.67 -0.68 3.56 4.20 -0.64 -2.47 115.11 119.43 3jx2 h GLN 628 Ca 0.25 0.05 0.03 0.00 0.06 0.00 0.00 58.65 59.03 3jx2 h GLN 628 Cb 0.14 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 3jx2 h GLN 628 CO -0.03 -0.41 0.43 0.00 -0.67 0.00 0.00 178.83 178.15 3jx2 h ALA 629 N -0.35 0.89 -0.66 3.87 0.00 -1.01 -2.56 119.26 119.45 3jx2 h ALA 629 Ca -0.07 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3jx2 h ALA 629 Cb 0.57 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 3jx2 h ALA 629 CO 0.12 0.19 0.29 1.25 0.00 0.00 0.00 179.25 181.10 3jx2 h LEU 630 N 0.83 0.33 -0.52 0.00 5.85 -0.87 -1.85 115.31 119.09 3jx2 h LEU 630 Ca 0.28 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 59.01 3jx2 h LEU 630 Cb 0.02 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3jx2 h LEU 630 CO -0.11 0.19 0.12 0.58 -0.34 0.00 0.00 178.44 178.88 3jx2 h VAL 631 N 0.50 1.24 -0.82 1.05 2.07 -1.04 -2.49 116.25 116.76 3jx2 h VAL 631 Ca 0.33 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3jx2 h VAL 631 Cb 0.38 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3jx2 h VAL 631 CO -0.29 0.32 0.35 -0.33 0.02 0.00 0.00 177.57 177.63 3jx2 h GLU 632 N 0.72 1.21 -0.57 1.57 4.39 -1.18 -0.07 114.58 120.65 3jx2 h GLU 632 Ca 0.16 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 3jx2 h GLU 632 Cb 0.35 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3jx2 h GLU 632 CO 0.00 0.96 0.16 0.82 -1.16 0.00 0.00 179.01 179.79 3jx2 h ILE 633 N 1.18 1.24 -0.01 3.13 2.04 -1.26 -0.24 117.51 123.60 3jx2 h ILE 633 Ca 0.27 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 3jx2 h ILE 633 Cb 0.19 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3jx2 h ILE 633 CO -0.03 0.32 -0.37 0.78 0.00 0.00 0.00 178.15 178.85 3jx2 h ASN 634 N 0.81 0.01 -0.39 1.72 2.35 -0.97 -1.07 115.58 118.05 3jx2 h ASN 634 Ca 0.18 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 3jx2 h ASN 634 Cb 0.31 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3jx2 h ASN 634 CO -0.00 0.39 -0.03 0.40 -1.65 0.00 0.00 177.43 176.53 3jx2 h ILE 635 N 0.01 1.27 -0.47 2.81 2.04 -0.31 -2.85 117.51 120.00 3jx2 h ILE 635 Ca -0.00 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3jx2 h ILE 635 Cb 0.67 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3jx2 h ILE 635 CO 0.05 0.36 0.30 0.00 0.00 0.00 0.00 178.15 178.86 3jx2 h ALA 636 N 0.86 0.60 -0.03 1.87 0.00 -0.58 -0.04 119.26 121.94 3jx2 h ALA 636 Ca 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3jx2 h ALA 636 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3jx2 h ALA 636 CO 0.03 0.07 -0.01 0.28 0.00 0.00 0.00 179.25 179.62 3jx2 h VAL 637 N 0.64 0.97 -0.48 0.00 2.07 -1.18 0.82 116.25 119.09 3jx2 h VAL 637 Ca 0.17 -0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.59 3jx2 h VAL 637 Cb -0.04 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3jx2 h VAL 637 CO -0.03 0.00 -0.09 -0.07 0.02 0.00 0.00 177.57 177.39 3jx2 h LEU 638 N 0.00 0.91 -0.58 2.57 3.38 -1.36 -2.29 115.31 117.94 3jx2 h LEU 638 Ca 0.02 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 57.73 3jx2 h LEU 638 Cb 0.02 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.45 3jx2 h LEU 638 CO -0.03 1.05 0.16 0.22 0.09 0.00 0.00 178.44 179.92 3jx2 h TYR 639 N 0.76 0.26 -0.21 1.13 3.20 -0.73 -1.06 116.97 120.32 3jx2 h TYR 639 Ca 0.12 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3jx2 h TYR 639 Cb 0.64 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3jx2 h TYR 639 CO 0.05 0.02 -0.11 0.77 -1.64 0.00 0.00 178.16 177.25 3jx2 h SER 640 N 0.31 0.46 -0.07 -2.11 0.02 -0.53 -1.83 113.55 109.78 3jx2 h SER 640 Ca 0.30 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3jx2 h SER 640 Cb 0.40 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3jx2 h SER 640 CO -0.35 0.77 0.04 -0.26 -1.14 0.00 0.00 176.83 175.90 3jx2 h PHE 641 N 0.15 0.10 -1.00 3.45 -1.00 -1.33 -2.28 116.94 115.02 3jx2 h PHE 641 Ca 0.05 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.86 3jx2 h PHE 641 Cb 0.60 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 40.07 3jx2 h PHE 641 CO 0.06 0.13 0.65 1.96 -1.61 0.00 0.00 178.31 179.51 3jx2 h GLN 642 N 0.04 1.24 -0.26 1.51 4.20 -1.12 -1.10 115.11 119.63 3jx2 h GLN 642 Ca 0.03 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3jx2 h GLN 642 Cb 0.06 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3jx2 h GLN 642 CO -0.00 0.82 -0.15 0.77 -0.67 0.00 0.00 178.83 179.59 3jx2 h SER 643 N 1.28 0.43 -0.31 1.46 0.02 -1.25 -2.55 113.55 112.62 3jx2 h SER 643 Ca 0.39 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3jx2 h SER 643 Cb -0.02 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3jx2 h SER 643 CO -0.12 0.61 0.00 0.47 -1.14 0.00 0.00 176.83 176.65 3jx2 n ASP 644 N -4.19 2.57 -3.34 3.07 8.00 -0.87 -4.95 116.55 116.84 3jx2 n ASP 644 Ca 0.00 -1.88 -0.24 0.00 0.71 0.00 0.00 54.79 53.38 3jx2 n ASP 644 Cb 0.33 -0.20 0.04 0.00 -0.02 0.00 0.00 41.12 41.27 3jx2 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx2 n LYS 645 N 0.91 -5.74 -3.57 -1.24 5.02 -0.52 -4.98 118.16 108.05 3jx2 n LYS 645 Ca 0.17 0.80 -0.37 0.00 -2.02 0.00 0.00 58.31 56.89 3jx2 n LYS 645 Cb 0.46 -5.71 -0.10 0.00 -0.02 0.00 0.00 35.03 29.66 3jx2 n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jx2 s VAL 646 N -3.21 5.30 0.13 -0.18 1.01 -0.61 -4.13 120.40 118.70 3jx2 s VAL 646 Ca 0.45 0.31 -0.35 0.00 0.00 0.00 0.00 61.98 62.38 3jx2 s VAL 646 Cb -0.21 -3.57 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 3jx2 s VAL 646 CO 0.55 0.28 1.49 0.41 0.00 0.00 0.00 175.10 177.84 3jx2 n THR 647 N 4.60 0.01 -3.68 3.92 -1.04 0.39 -4.31 114.28 114.16 3jx2 n THR 647 Ca -0.13 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.75 3jx2 n THR 647 Cb 0.52 -1.27 -0.07 0.00 -1.82 0.00 0.00 70.33 67.69 3jx2 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx2 s ILE 648 N 0.81 0.06 0.01 12.58 2.07 -1.26 -4.43 121.20 131.04 3jx2 s ILE 648 Ca 0.81 -0.50 0.06 0.00 -1.41 0.00 0.00 60.65 59.61 3jx2 s ILE 648 Cb -0.78 -0.94 -0.02 0.00 0.13 0.00 0.00 42.46 40.85 3jx2 s ILE 648 CO 0.42 -0.28 -0.18 0.54 -1.91 0.00 0.00 174.94 173.53 3jx2 s VAL 649 N -2.44 1.40 0.60 4.00 0.11 -0.25 -4.99 120.40 118.83 3jx2 s VAL 649 Ca -0.06 -0.88 -0.08 0.00 -2.93 0.00 0.00 61.98 58.04 3jx2 s VAL 649 Cb -0.01 -1.19 -0.00 0.00 -1.53 0.00 0.00 36.38 33.65 3jx2 s VAL 649 CO -0.02 0.29 0.94 1.51 -3.33 0.00 0.00 175.10 174.49 3jx2 s ASP 650 N -0.69 5.72 0.50 3.54 -4.77 -1.26 0.09 116.67 119.80 3jx2 s ASP 650 Ca 0.06 0.91 0.29 0.00 -3.30 0.00 0.00 52.55 50.51 3jx2 s ASP 650 Cb -0.07 -1.92 1.06 0.00 -1.09 0.00 0.00 42.92 40.90 3jx2 s ASP 650 CO 0.00 -1.04 1.87 1.12 0.70 0.00 0.00 175.17 177.83 3jx2 h HIS 651 N -0.24 0.00 0.43 2.11 2.07 -1.98 -0.36 115.15 117.18 3jx2 h HIS 651 Ca -0.45 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.05 3jx2 h HIS 651 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 3jx2 h HIS 651 CO 0.51 0.08 -0.21 0.45 -3.07 0.00 0.00 177.93 175.69 3jx2 h HIS 652 N 0.00 -0.54 -0.58 6.12 3.86 -1.95 -2.54 115.15 119.52 3jx2 h HIS 652 Ca -0.00 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.30 3jx2 h HIS 652 Cb 0.67 0.18 -0.08 0.00 1.06 0.00 0.00 27.41 29.24 3jx2 h HIS 652 CO 0.00 -0.33 0.14 1.03 0.86 0.00 0.00 177.93 179.63 3jx2 h SER 653 N -1.16 0.05 -0.46 2.45 0.87 -1.97 -1.21 113.55 112.12 3jx2 h SER 653 Ca -0.06 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 3jx2 h SER 653 Cb 0.45 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.50 3jx2 h SER 653 CO 0.10 0.04 0.24 0.00 -0.53 0.00 0.00 176.83 176.68 3jx2 h ALA 654 N 1.45 0.58 -0.17 6.23 0.00 -1.13 -1.25 119.26 124.97 3jx2 h ALA 654 Ca 0.30 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 3jx2 h ALA 654 Cb 0.42 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3jx2 h ALA 654 CO -0.37 -0.10 -0.74 1.79 0.00 0.00 0.00 179.25 179.83 3jx2 h THR 655 N 0.48 1.28 -0.93 0.00 1.35 -1.28 -1.96 112.91 111.85 3jx2 h THR 655 Ca 0.19 -1.94 0.01 0.00 -0.55 0.00 0.00 66.41 64.13 3jx2 h THR 655 Cb 0.08 1.96 -0.05 0.00 -1.73 0.00 0.00 68.15 68.41 3jx2 h THR 655 CO -0.12 0.62 0.62 -0.08 -0.25 0.00 0.00 175.52 176.30 3jx2 h GLU 656 N 0.53 1.21 -0.22 4.72 4.81 -1.12 -1.94 114.58 122.57 3jx2 h GLU 656 Ca -0.05 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3jx2 h GLU 656 Cb 1.37 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 3jx2 h GLU 656 CO 0.15 0.80 0.05 0.77 -0.73 0.00 0.00 179.01 180.06 3jx2 h SER 657 N 1.24 0.34 -0.91 1.04 0.02 -1.05 -2.80 113.55 111.43 3jx2 h SER 657 Ca 0.35 -0.23 0.11 0.00 -0.84 0.00 0.00 61.79 61.17 3jx2 h SER 657 Cb -0.12 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.27 3jx2 h SER 657 CO -0.08 0.48 0.59 0.15 -1.14 0.00 0.00 176.83 176.83 3jx2 h PHE 658 N 0.18 0.97 -0.19 3.45 3.57 -1.14 0.42 116.94 124.19 3jx2 h PHE 658 Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3jx2 h PHE 658 Cb 0.28 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3jx2 h PHE 658 CO 0.01 0.42 0.08 0.82 -2.23 0.00 0.00 178.31 177.41 3jx2 h ILE 659 N 0.88 1.15 -0.68 1.41 1.08 -1.24 0.39 117.51 120.50 3jx2 h ILE 659 Ca 0.43 -0.45 0.07 0.00 -0.39 0.00 0.00 64.86 64.51 3jx2 h ILE 659 Cb 0.46 1.11 -0.06 0.00 -3.07 0.00 0.00 36.82 35.26 3jx2 h ILE 659 CO -0.19 0.15 0.37 0.11 -0.69 0.00 0.00 178.15 177.89 3jx2 h LYS 660 N 0.16 0.65 0.07 2.37 1.57 -1.12 0.29 116.57 120.56 3jx2 h LYS 660 Ca 0.06 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3jx2 h LYS 660 Cb 0.16 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3jx2 h LYS 660 CO -0.01 0.43 -0.03 1.25 -0.57 0.00 0.00 179.45 180.52 3jx2 h HIS 661 N 0.67 -0.09 -0.58 -1.35 2.76 0.24 -1.47 115.15 115.33 3jx2 h HIS 661 Ca 0.31 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.49 3jx2 h HIS 661 Cb 0.22 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 3jx2 h HIS 661 CO -0.08 -0.02 0.37 1.98 -1.30 0.00 0.00 177.93 178.88 3jx2 h MET 662 N -0.14 0.73 -0.56 5.26 1.85 0.07 0.22 114.93 122.36 3jx2 h MET 662 Ca -0.01 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.03 3jx2 h MET 662 Cb 0.11 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 31.95 3jx2 h MET 662 CO 0.02 0.48 0.34 0.93 -0.40 0.00 0.00 176.91 178.28 3jx2 h GLU 663 N 0.75 0.76 -0.47 0.39 5.08 -0.87 -1.90 114.58 118.33 3jx2 h GLU 663 Ca 0.22 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3jx2 h GLU 663 Cb -0.05 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 3jx2 h GLU 663 CO -0.07 0.55 0.27 -0.97 -1.00 0.00 0.00 179.01 177.79 3jx2 h ASN 664 N 0.76 0.42 -0.91 1.42 -1.24 -0.03 -2.21 115.58 113.80 3jx2 h ASN 664 Ca 0.20 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.26 3jx2 h ASN 664 Cb -0.02 -0.08 -0.06 0.00 0.73 0.00 0.00 38.32 38.90 3jx2 h ASN 664 CO -0.04 0.30 0.59 -0.33 -1.29 0.00 0.00 177.43 176.66 3jx2 h GLU 665 N 0.54 1.09 -0.58 6.67 4.39 -0.24 0.11 114.58 126.55 3jx2 h GLU 665 Ca 0.19 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 3jx2 h GLU 665 Cb 0.04 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.41 3jx2 h GLU 665 CO -0.10 0.72 0.30 1.88 -1.16 0.00 0.00 179.01 180.65 3jx2 h TYR 666 N 1.13 0.83 0.12 4.33 -1.99 -1.16 0.41 116.97 120.63 3jx2 h TYR 666 Ca 0.37 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 61.06 3jx2 h TYR 666 Cb 0.03 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.51 3jx2 h TYR 666 CO -0.02 0.62 -0.06 0.00 -0.00 0.00 0.00 178.16 178.71 3jx2 h ARG 667 N 0.79 -0.16 0.01 4.88 3.08 -0.65 -2.14 114.38 120.19 3jx2 h ARG 667 Ca 0.20 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 3jx2 h ARG 667 Cb 0.09 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3jx2 h ARG 667 CO -0.03 0.22 -0.16 0.00 -1.07 0.00 0.00 179.97 178.94 3jx2 n ARG 669 N -4.56 0.52 -0.30 0.00 0.63 0.13 -4.99 116.66 108.08 3jx2 n ARG 669 Ca -0.10 -0.15 0.00 0.00 -0.92 0.00 0.00 57.85 56.68 3jx2 n ARG 669 Cb 0.49 -1.52 0.00 0.00 0.45 0.00 0.00 32.46 31.88 3jx2 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx2 n GLY 670 N 1.31 0.72 0.00 5.14 0.00 -0.55 -4.67 105.19 107.14 3jx2 n GLY 670 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3jx2 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx2 n GLY 671 N -2.10 -0.60 3.09 -0.02 0.00 -1.18 0.03 105.19 104.41 3jx2 n GLY 671 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.90 3jx2 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx2 s PRO 673 N 2.77 3.71 -0.22 0.00 0.04 -1.26 -4.68 135.00 135.36 3jx2 s PRO 673 Ca 0.14 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 3jx2 s PRO 673 Cb -0.13 -2.27 0.06 0.00 0.04 0.00 0.00 34.50 32.21 3jx2 s PRO 673 CO -0.24 -0.55 0.55 0.00 0.04 0.00 0.00 177.00 176.80 3jx2 s ALA 674 N -1.69 -1.43 -0.46 8.56 0.00 -0.16 -4.33 121.76 122.26 3jx2 s ALA 674 Ca 0.66 1.81 -0.12 0.00 0.00 0.00 0.00 51.96 54.31 3jx2 s ALA 674 Cb -0.24 -1.07 0.08 0.00 0.00 0.00 0.00 23.12 21.89 3jx2 s ALA 674 CO 0.29 -0.30 0.34 0.34 0.00 0.00 0.00 175.76 176.44 3jx2 s ASP 675 N 1.02 5.90 0.22 0.00 -1.08 0.10 -3.68 116.67 119.15 3jx2 s ASP 675 Ca -0.06 -1.49 -0.09 0.00 -0.52 0.00 0.00 52.55 50.40 3jx2 s ASP 675 Cb -0.06 -2.09 0.23 0.00 -1.46 0.00 0.00 42.92 39.55 3jx2 s ASP 675 CO -0.09 -0.62 1.84 -0.25 0.52 0.00 0.00 175.17 176.57 3jx2 h TRP 676 N 8.60 0.84 -0.40 -5.34 7.01 -1.94 0.33 115.95 125.04 3jx2 h TRP 676 Ca -0.26 0.02 0.12 0.00 2.11 0.00 0.00 58.89 60.88 3jx2 h TRP 676 Cb 1.09 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.87 3jx2 h TRP 676 CO 0.63 0.46 0.30 0.28 -2.79 0.00 0.00 178.44 177.32 3jx2 h VAL 677 N 0.86 0.75 0.04 2.65 2.07 -1.92 -1.77 116.25 118.93 3jx2 h VAL 677 Ca 0.31 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.45 3jx2 h VAL 677 Cb 0.08 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 3jx2 h VAL 677 CO -0.14 0.00 -2.29 0.79 0.02 0.00 0.00 177.57 175.95 3jx2 n TRP 678 N -4.33 0.46 -0.09 1.57 7.02 -0.17 -4.54 117.44 117.36 3jx2 n TRP 678 Ca 0.07 0.10 -0.10 0.00 -1.02 0.00 0.00 57.50 56.55 3jx2 n TRP 678 Cb 0.49 -1.06 -0.02 0.00 -2.42 0.00 0.00 31.31 28.30 3jx2 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jx2 h ILE 679 N -0.04 1.15 -2.71 -0.99 1.08 -0.14 -3.42 117.51 112.43 3jx2 h ILE 679 Ca -0.53 -0.43 -0.53 0.00 -0.39 0.00 0.00 64.86 62.99 3jx2 h ILE 679 Cb 1.92 0.90 0.03 0.00 -3.07 0.00 0.00 36.82 36.60 3jx2 h ILE 679 CO -0.05 0.15 0.98 -0.69 -0.69 0.00 0.00 178.15 177.85 3jx2 s VAL 680 N -5.72 2.74 0.74 1.67 1.01 -0.69 -4.93 120.40 115.22 3jx2 s VAL 680 Ca -0.13 0.37 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 3jx2 s VAL 680 Cb 0.09 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 33.28 3jx2 s VAL 680 CO 0.72 0.01 1.18 -2.84 0.00 0.00 0.00 175.10 174.17 3jx2 s PRO 681 N 2.02 2.12 -0.01 2.72 0.02 -1.26 -4.91 135.00 135.70 3jx2 s PRO 681 Ca 0.74 1.65 0.06 0.00 0.02 0.00 0.00 61.00 63.46 3jx2 s PRO 681 Cb -0.43 -1.84 0.18 0.00 0.02 0.00 0.00 34.50 32.43 3jx2 s PRO 681 CO 0.32 -1.82 1.10 -0.35 -0.33 0.00 0.00 177.00 175.92 3jx2 n PRO 682 N -2.89 1.54 -4.05 5.54 -0.04 -1.26 -4.26 135.00 129.57 3jx2 n PRO 682 Ca 0.13 -0.73 -0.10 0.00 -0.04 0.00 0.00 63.50 62.75 3jx2 n PRO 682 Cb 0.51 -1.23 -0.11 0.00 -0.04 0.00 0.00 33.50 32.63 3jx2 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx2 s MET 683 N -1.70 0.51 -1.43 0.54 0.23 -1.26 -4.93 119.30 111.26 3jx2 s MET 683 Ca 0.13 -0.86 0.00 0.00 -1.03 0.00 0.00 55.69 53.93 3jx2 s MET 683 Cb 0.07 -0.06 0.00 0.00 -1.53 0.00 0.00 34.83 33.31 3jx2 s MET 683 CO 0.08 -0.02 0.00 0.43 -2.03 0.00 0.00 175.02 173.48 3jx2 n SER 684 N 1.09 -4.89 0.00 -1.18 7.64 -1.26 -4.87 113.62 110.15 3jx2 n SER 684 Ca -0.20 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.78 3jx2 n SER 684 Cb 0.57 -4.11 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 3jx2 n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jx2 n GLY 685 N -0.89 -1.50 0.00 0.23 0.00 -1.26 -2.04 105.19 99.74 3jx2 n GLY 685 Ca -0.20 0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.20 3jx2 n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx2 n SER 686 N -2.31 0.00 -0.58 1.61 3.41 -1.26 -2.02 113.62 112.47 3jx2 n SER 686 Ca 0.00 0.47 0.10 0.00 -0.26 0.00 0.00 58.87 59.18 3jx2 n SER 686 Cb 0.00 -0.49 0.33 0.00 -0.26 0.00 0.00 64.21 63.79 3jx2 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx2 n ILE 687 N -1.49 0.27 -4.38 -1.33 -5.35 -0.86 -4.78 119.36 101.44 3jx2 n ILE 687 Ca 0.04 -0.38 -0.35 0.00 -0.27 0.00 0.00 62.75 61.80 3jx2 n ILE 687 Cb 0.20 0.35 -0.09 0.00 -1.74 0.00 0.00 39.64 38.35 3jx2 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx2 s THR 688 N -1.73 4.30 0.09 7.28 -4.23 -0.86 -5.02 115.64 115.47 3jx2 s THR 688 Ca 0.31 -0.26 0.33 0.00 -1.18 0.00 0.00 61.69 60.89 3jx2 s THR 688 Cb 0.16 -2.81 0.37 0.00 1.34 0.00 0.00 72.50 71.57 3jx2 s THR 688 CO 0.24 0.60 1.99 1.55 -0.54 0.00 0.00 174.62 178.47 3jx2 h PRO 689 N 5.14 0.00 -0.94 3.99 0.13 -1.86 -3.11 132.00 135.36 3jx2 h PRO 689 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 3jx2 h PRO 689 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 3jx2 h PRO 689 CO 0.54 0.00 0.56 -0.39 -0.23 0.00 0.00 178.00 178.49 3jx2 h VAL 690 N 0.00 1.26 -1.08 1.56 -1.51 -1.88 -2.68 116.25 111.93 3jx2 h VAL 690 Ca 0.00 -0.56 0.30 0.00 -1.23 0.00 0.00 66.70 65.21 3jx2 h VAL 690 Cb 0.36 -0.06 -0.11 0.00 -2.13 0.00 0.00 31.29 29.34 3jx2 h VAL 690 CO 0.00 0.27 0.67 0.15 -1.23 0.00 0.00 177.57 177.43 3jx2 h PHE 691 N 1.29 0.74 -0.15 5.19 3.57 -1.74 0.28 116.94 126.12 3jx2 h PHE 691 Ca 0.34 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.86 3jx2 h PHE 691 Cb -0.05 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.48 3jx2 h PHE 691 CO 0.00 -0.02 0.00 0.72 -2.23 0.00 0.00 178.31 176.78 3jx2 n HIS 692 N -4.75 0.19 -3.66 0.41 8.25 -1.01 -4.84 115.22 109.81 3jx2 n HIS 692 Ca 0.29 -0.09 -0.38 0.00 -0.26 0.00 0.00 57.72 57.28 3jx2 n HIS 692 Cb 0.97 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.96 3jx2 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx2 s GLN 693 N -1.81 3.72 0.47 -0.41 2.00 0.09 -0.82 119.66 122.89 3jx2 s GLN 693 Ca 0.34 -0.46 -0.23 0.00 -2.00 0.00 0.00 55.36 53.01 3jx2 s GLN 693 Cb 0.19 -3.51 -0.07 0.00 0.80 0.00 0.00 33.01 30.41 3jx2 s GLN 693 CO 0.28 -0.23 1.17 -1.21 -0.50 0.00 0.00 175.29 174.80 3jx2 s GLU 694 N 1.68 3.73 0.06 1.67 2.02 -0.72 -5.00 118.70 122.15 3jx2 s GLU 694 Ca 0.06 1.77 0.00 0.00 0.02 0.00 0.00 54.97 56.83 3jx2 s GLU 694 Cb -0.16 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 3jx2 s GLU 694 CO 0.07 -0.58 -0.05 -1.64 0.02 0.00 0.00 175.26 173.09 3jx2 s MET 695 N -2.73 0.66 -0.08 1.61 -1.94 -1.26 -4.68 119.30 110.87 3jx2 s MET 695 Ca 0.64 -1.17 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 3jx2 s MET 695 Cb -0.28 0.00 0.01 0.00 2.01 0.00 0.00 34.83 36.57 3jx2 s MET 695 CO 0.34 -0.06 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.63 3jx2 s LEU 696 N -2.72 1.75 -0.14 -0.03 1.43 -1.26 -4.99 118.68 112.73 3jx2 s LEU 696 Ca 0.05 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 3jx2 s LEU 696 Cb 0.04 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 3jx2 s LEU 696 CO -0.06 0.06 0.01 0.21 0.23 0.00 0.00 176.35 176.79 3jx2 s ASN 697 N 0.66 5.21 0.18 2.29 3.04 -1.24 -0.99 114.94 124.09 3jx2 s ASN 697 Ca -0.14 0.03 -0.24 0.00 0.04 0.00 0.00 52.86 52.55 3jx2 s ASN 697 Cb -0.16 -1.75 0.05 0.00 -1.54 0.00 0.00 41.25 37.85 3jx2 s ASN 697 CO 0.04 0.24 0.80 -0.72 -3.04 0.00 0.00 177.10 174.42 3jx2 s TYR 698 N -0.04 -0.25 -0.30 0.43 -0.85 -1.26 -4.94 117.35 110.14 3jx2 s TYR 698 Ca 0.04 -0.08 -0.05 0.00 -0.52 0.00 0.00 57.07 56.45 3jx2 s TYR 698 Cb -0.13 0.64 0.02 0.00 0.38 0.00 0.00 41.96 42.88 3jx2 s TYR 698 CO 0.02 -0.95 0.06 1.03 -1.52 0.00 0.00 175.55 174.18 3jx2 s ARG 699 N -3.58 2.86 0.01 -3.49 0.52 -1.26 -4.81 118.95 109.19 3jx2 s ARG 699 Ca 0.09 -1.00 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 3jx2 s ARG 699 Cb -0.03 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 3jx2 s ARG 699 CO 0.00 -0.51 0.09 -0.51 0.02 0.00 0.00 175.30 174.38 3jx2 s LEU 700 N 1.42 3.90 0.06 2.53 1.43 -1.26 -3.64 118.68 123.12 3jx2 s LEU 700 Ca 0.00 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 3jx2 s LEU 700 Cb -0.18 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3jx2 s LEU 700 CO 0.01 0.26 0.08 0.42 0.23 0.00 0.00 176.35 177.35 3jx2 s THR 701 N -1.23 4.60 0.76 5.49 -4.23 -1.26 -4.18 115.64 115.59 3jx2 s THR 701 Ca 0.24 -0.67 -0.12 0.00 -1.18 0.00 0.00 61.69 59.96 3jx2 s THR 701 Cb -0.12 -3.19 0.05 0.00 1.34 0.00 0.00 72.50 70.58 3jx2 s THR 701 CO 0.15 0.18 1.12 -2.84 -0.54 0.00 0.00 174.62 172.69 3jx2 s PRO 702 N -2.23 2.23 -0.05 3.99 0.02 -1.26 -5.01 135.00 132.68 3jx2 s PRO 702 Ca 0.28 1.34 -0.18 0.00 0.02 0.00 0.00 61.00 62.47 3jx2 s PRO 702 Cb -0.12 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.55 3jx2 s PRO 702 CO 0.20 -1.69 0.40 -1.54 -0.33 0.00 0.00 177.00 174.04 3jx2 s SER 703 N -2.93 -0.32 -0.05 2.53 1.04 -0.78 -3.75 113.70 109.44 3jx2 s SER 703 Ca 0.65 0.36 -0.20 0.00 0.48 0.00 0.00 55.95 57.24 3jx2 s SER 703 Cb -0.20 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 3jx2 s SER 703 CO 0.51 -0.41 0.55 -0.36 0.98 0.00 0.00 173.24 174.51 3jx2 s PHE 704 N -0.97 3.61 0.19 5.02 0.40 -1.26 -0.64 117.98 124.33 3jx2 s PHE 704 Ca -0.10 1.08 0.05 0.00 -0.60 0.00 0.00 56.93 57.36 3jx2 s PHE 704 Cb -0.04 -2.59 -0.05 0.00 0.51 0.00 0.00 43.02 40.86 3jx2 s PHE 704 CO 0.04 0.27 -0.09 -1.21 0.70 0.00 0.00 175.22 174.94 3jx2 s GLU 705 N 0.16 1.24 0.63 0.44 0.41 0.40 -4.94 118.70 117.05 3jx2 s GLU 705 Ca 0.29 -1.57 -0.12 0.00 -0.41 0.00 0.00 54.97 53.17 3jx2 s GLU 705 Cb -0.17 -0.82 -0.03 0.00 -1.78 0.00 0.00 34.13 31.33 3jx2 s GLU 705 CO 0.14 0.07 1.03 0.71 -0.49 0.00 0.00 175.26 176.73 3jx2 s TYR 706 N -3.21 3.45 0.05 1.61 4.12 -1.26 -0.79 117.35 121.33 3jx2 s TYR 706 Ca 0.22 1.35 -0.04 0.00 0.02 0.00 0.00 57.07 58.62 3jx2 s TYR 706 Cb 0.02 -2.78 -0.02 0.00 -1.52 0.00 0.00 41.96 37.66 3jx2 s TYR 706 CO 0.05 -0.81 0.06 1.14 0.02 0.00 0.00 175.55 176.01 3jx2 s GLN 707 N -4.99 0.63 0.97 -0.62 -2.07 -1.26 -4.75 119.66 107.57 3jx2 s GLN 707 Ca 0.56 -0.94 -0.12 0.00 -1.82 0.00 0.00 55.36 53.04 3jx2 s GLN 707 Cb -0.12 0.24 0.17 0.00 -1.09 0.00 0.00 33.01 32.21 3jx2 s GLN 707 CO 0.51 -0.15 1.09 -1.25 -1.32 0.00 0.00 175.29 174.17 3jx2 s PRO 708 N -3.23 0.62 0.02 9.60 0.04 -1.26 -4.93 135.00 135.85 3jx2 s PRO 708 Ca 0.00 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 61.45 3jx2 s PRO 708 Cb 0.03 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.78 3jx2 s PRO 708 CO -0.07 -2.65 1.09 -0.51 0.04 0.00 0.00 177.00 174.90 3jx2 s ASP 709 N -3.31 7.22 0.37 6.66 1.01 -1.26 -4.90 116.67 122.45 3jx2 s ASP 709 Ca 0.65 1.82 0.15 0.00 0.71 0.00 0.00 52.55 55.88 3jx2 s ASP 709 Cb -0.19 -2.57 0.99 0.00 1.01 0.00 0.00 42.92 42.16 3jx2 s ASP 709 CO 0.58 -0.38 1.79 -0.65 0.21 0.00 0.00 175.17 176.72 3jx2 h PRO 710 N 6.84 0.49 0.00 8.23 0.11 -1.92 0.32 132.00 146.08 3jx2 h PRO 710 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3jx2 h PRO 710 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3jx2 h PRO 710 CO 0.79 0.32 0.00 0.11 -0.21 0.00 0.00 178.00 179.01 3jx2 h TRP 711 N 0.50 0.00 0.00 0.65 0.09 -1.94 0.32 115.95 115.57 3jx2 h TRP 711 Ca 0.57 0.00 -0.05 0.00 0.09 0.00 0.00 58.89 59.50 3jx2 h TRP 711 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.50 3jx2 h TRP 711 CO -0.00 0.00 -0.22 -0.91 0.09 0.00 0.00 178.44 177.39 3jx2 h ASN 712 N 0.00 0.00 0.00 0.11 2.35 -0.73 -3.39 115.58 113.92 3jx2 h ASN 712 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3jx2 h ASN 712 Cb 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 3jx2 h ASN 712 CO 0.00 0.22 -1.03 0.35 -1.65 0.00 0.00 177.43 175.32 3jx2 n THR 713 N -3.16 0.03 -1.65 2.81 -2.24 -0.65 -5.03 114.28 104.39 3jx2 n THR 713 Ca 0.03 -0.02 -0.46 0.00 -2.27 0.00 0.00 64.05 61.33 3jx2 n THR 713 Cb 0.61 -0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 67.91 3jx2 n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3jx2 n HIS 714 N -2.12 2.03 -3.29 4.78 -0.00 0.10 -4.93 115.22 111.80 3jx2 n HIS 714 Ca -0.01 0.43 -0.43 0.00 -0.00 0.00 0.00 57.72 57.71 3jx2 n HIS 714 Cb 0.52 -2.45 -0.08 0.00 -0.00 0.00 0.00 29.99 27.97 3jx2 n HIS 714 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3jx2 s VAL 715 N 0.31 5.05 0.41 3.57 1.01 -1.26 -4.99 120.40 124.50 3jx2 s VAL 715 Ca 0.74 -0.35 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 3jx2 s VAL 715 Cb -0.72 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 31.49 3jx2 s VAL 715 CO 0.46 -0.49 1.28 0.26 0.00 0.00 0.00 175.10 176.61 3jx2 s TRP 716 N 2.23 2.84 -0.15 5.22 0.52 -1.26 -4.91 118.94 123.43 3jx2 s TRP 716 Ca 0.13 1.43 0.00 0.00 0.02 0.00 0.00 56.10 57.69 3jx2 s TRP 716 Cb -0.17 -3.63 -0.10 0.00 -1.15 0.00 0.00 33.47 28.42 3jx2 s TRP 716 CO 0.14 -1.99 -0.14 1.63 0.02 0.00 0.00 176.95 176.61 3jx2 n LYS 717 N 0.09 0.37 -0.02 4.98 5.02 -1.26 -5.11 118.16 122.24 3jx2 n LYS 717 Ca 0.04 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3jx2 n LYS 717 Cb 0.44 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 3jx2 n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29