#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx0 s PHE 300 N 0.00 3.33 -0.04 -0.14 0.40 -1.26 -4.86 117.98 115.41 3jx0 s PHE 300 Ca 0.00 0.22 0.06 0.00 -0.60 0.00 0.00 56.93 56.62 3jx0 s PHE 300 Cb 0.00 -2.00 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 3jx0 s PHE 300 CO 0.00 0.36 -0.24 -0.51 0.70 0.00 0.00 175.22 175.53 3jx0 s LEU 301 N -0.19 2.05 0.02 -0.37 1.43 -1.00 -4.94 118.68 115.68 3jx0 s LEU 301 Ca 0.08 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 3jx0 s LEU 301 Cb -0.12 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 3jx0 s LEU 301 CO 0.01 0.26 0.37 -0.54 0.23 0.00 0.00 176.35 176.68 3jx0 s LYS 302 N -0.28 3.78 -0.09 1.70 1.02 -1.26 0.13 119.74 124.73 3jx0 s LYS 302 Ca 0.01 0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.24 3jx0 s LYS 302 Cb -0.12 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 34.09 3jx0 s LYS 302 CO 0.02 0.64 -0.15 0.08 -0.92 0.00 0.00 175.35 175.02 3jx0 s VAL 303 N -1.23 1.39 -0.03 3.17 1.01 0.10 -4.94 120.40 119.87 3jx0 s VAL 303 Ca 0.27 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3jx0 s VAL 303 Cb -0.15 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3jx0 s VAL 303 CO 0.15 0.42 -0.12 -0.75 0.00 0.00 0.00 175.10 174.80 3jx0 s LYS 304 N 0.83 2.51 -0.32 2.72 2.20 -1.26 -0.77 119.74 125.64 3jx0 s LYS 304 Ca -0.11 -0.70 -0.12 0.00 -0.36 0.00 0.00 55.97 54.68 3jx0 s LYS 304 Cb -0.15 -2.42 -0.02 0.00 -1.51 0.00 0.00 37.83 33.72 3jx0 s LYS 304 CO 0.01 0.62 0.22 1.21 -0.36 0.00 0.00 175.35 177.05 3jx0 s ASN 305 N -0.97 5.99 0.19 1.43 3.84 -0.11 -1.23 114.94 124.08 3jx0 s ASN 305 Ca 0.13 -0.35 0.25 0.00 0.21 0.00 0.00 52.86 53.11 3jx0 s ASN 305 Cb -0.11 -2.12 0.90 0.00 -0.55 0.00 0.00 41.25 39.37 3jx0 s ASN 305 CO 0.03 -0.19 1.76 0.79 -2.79 0.00 0.00 177.10 176.70 3jx0 n TRP 306 N 5.08 0.75 0.04 0.43 7.02 0.23 -0.33 117.44 130.65 3jx0 n TRP 306 Ca -0.13 0.24 -0.19 0.00 -1.02 0.00 0.00 57.50 56.40 3jx0 n TRP 306 Cb 0.50 -0.89 -0.14 0.00 -2.42 0.00 0.00 31.31 28.36 3jx0 n TRP 306 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3jx0 h GLU 307 N 0.00 0.26 -0.02 -0.99 4.81 -1.95 -3.40 114.58 113.31 3jx0 h GLU 307 Ca 0.00 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3jx0 h GLU 307 Cb 0.59 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3jx0 h GLU 307 CO 0.00 1.13 -0.05 0.25 -0.73 0.00 0.00 179.01 179.61 3jx0 n THR 308 N -3.45 0.00 -0.93 0.32 -2.24 -1.17 -4.98 114.28 101.83 3jx0 n THR 308 Ca -0.24 -0.47 -0.05 0.00 -2.27 0.00 0.00 64.05 61.02 3jx0 n THR 308 Cb 1.05 1.27 -0.02 0.00 -2.10 0.00 0.00 70.33 70.54 3jx0 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx0 n ASP 309 N 0.63 -4.00 -4.69 3.42 8.00 0.55 -4.95 116.55 115.51 3jx0 n ASP 309 Ca 0.08 0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 3jx0 n ASP 309 Cb 0.35 -2.87 -0.03 0.00 -0.02 0.00 0.00 41.12 38.55 3jx0 n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jx0 s VAL 310 N -1.19 3.97 -0.18 2.53 1.01 -1.22 -4.81 120.40 120.52 3jx0 s VAL 310 Ca 0.00 1.33 -0.02 0.00 0.00 0.00 0.00 61.98 63.28 3jx0 s VAL 310 Cb 0.00 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3jx0 s VAL 310 CO 0.00 -0.01 -0.08 -0.69 0.00 0.00 0.00 175.10 174.32 3jx0 s VAL 311 N 2.36 3.26 0.08 2.92 1.01 -1.26 -0.93 120.40 127.83 3jx0 s VAL 311 Ca 0.60 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 62.09 3jx0 s VAL 311 Cb -0.28 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3jx0 s VAL 311 CO 0.24 0.48 -0.12 -0.76 0.00 0.00 0.00 175.10 174.94 3jx0 s LEU 312 N 0.90 2.94 -0.20 3.92 1.43 0.05 -4.94 118.68 122.77 3jx0 s LEU 312 Ca -0.02 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 3jx0 s LEU 312 Cb -0.15 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3jx0 s LEU 312 CO 0.00 0.21 0.05 -0.89 0.23 0.00 0.00 176.35 175.95 3jx0 s THR 313 N -1.11 4.45 -0.27 5.49 2.01 -1.26 0.01 115.64 124.96 3jx0 s THR 313 Ca 0.19 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 3jx0 s THR 313 Cb -0.11 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 3jx0 s THR 313 CO 0.11 0.42 0.23 -0.62 -0.69 0.00 0.00 174.62 174.07 3jx0 s ASP 314 N 0.87 6.11 -0.02 3.53 -1.08 0.35 -4.66 116.67 121.78 3jx0 s ASP 314 Ca 0.03 0.11 0.07 0.00 -0.52 0.00 0.00 52.55 52.24 3jx0 s ASP 314 Cb -0.14 -2.14 -0.11 0.00 -1.46 0.00 0.00 42.92 39.07 3jx0 s ASP 314 CO 0.02 -0.06 0.15 0.35 0.52 0.00 0.00 175.17 176.16 3jx0 n THR 315 N 4.88 0.05 -0.04 1.71 -2.24 0.57 -2.38 114.28 116.83 3jx0 n THR 315 Ca -0.13 -0.18 0.03 0.00 -2.27 0.00 0.00 64.05 61.50 3jx0 n THR 315 Cb 0.52 0.21 0.39 0.00 -2.10 0.00 0.00 70.33 69.35 3jx0 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx0 h LEU 316 N 0.00 0.54 -2.22 3.22 6.46 -1.74 -2.81 115.31 118.76 3jx0 h LEU 316 Ca -0.02 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 3jx0 h LEU 316 Cb 0.45 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 3jx0 h LEU 316 CO 0.00 0.39 0.24 1.12 -0.62 0.00 0.00 178.44 179.58 3jx0 h HIS 317 N 0.64 0.00 0.00 1.25 2.07 -1.87 0.38 115.15 117.62 3jx0 h HIS 317 Ca 0.17 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.69 3jx0 h HIS 317 Cb -0.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.91 3jx0 h HIS 317 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3jx0 n LEU 318 N -3.58 0.36 -0.19 6.12 4.77 -1.06 -1.73 117.00 121.69 3jx0 n LEU 318 Ca 0.02 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 3jx0 n LEU 318 Cb 0.36 -0.52 0.36 0.00 -2.33 0.00 0.00 43.42 41.28 3jx0 n LEU 318 CO 0.25 -0.38 0.62 0.29 -1.33 0.00 0.00 177.39 176.84 3jx0 n LYS 319 N -1.89 0.67 -2.18 3.23 5.02 0.12 -4.95 118.16 118.18 3jx0 n LYS 319 Ca 0.03 -0.39 -0.40 0.00 -2.02 0.00 0.00 58.31 55.54 3jx0 n LYS 319 Cb 0.22 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3jx0 n LYS 319 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3jx0 s SER 320 N -2.60 6.60 -0.03 4.39 1.04 -0.71 -4.92 113.70 117.48 3jx0 s SER 320 Ca 0.22 2.54 -0.07 0.00 0.48 0.00 0.00 55.95 59.12 3jx0 s SER 320 Cb 0.19 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 3jx0 s SER 320 CO 0.55 -0.64 -0.13 0.41 0.98 0.00 0.00 173.24 174.41 3jx0 n THR 321 N 0.42 1.09 -0.86 2.02 -1.04 -1.20 -5.04 114.28 109.67 3jx0 n THR 321 Ca 0.02 0.27 -0.33 0.00 -2.04 0.00 0.00 64.05 61.98 3jx0 n THR 321 Cb 0.44 -1.81 0.13 0.00 -1.82 0.00 0.00 70.33 67.27 3jx0 n THR 321 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3jx0 n LEU 322 N -3.67 1.75 -4.90 -4.42 4.77 -1.26 -5.00 117.00 104.27 3jx0 n LEU 322 Ca -0.05 0.43 -0.32 0.00 -0.03 0.00 0.00 56.01 56.04 3jx0 n LEU 322 Cb 0.20 -1.34 -0.05 0.00 -2.33 0.00 0.00 43.42 39.90 3jx0 n LEU 322 CO 0.08 -2.81 -0.05 -1.61 -1.33 0.00 0.00 177.39 171.67 3jx0 s GLU 323 N -3.93 3.55 0.21 3.23 2.02 -1.26 -4.55 118.70 117.97 3jx0 s GLU 323 Ca 0.64 -0.21 0.14 0.00 0.02 0.00 0.00 54.97 55.56 3jx0 s GLU 323 Cb -0.24 -2.96 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 3jx0 s GLU 323 CO 0.61 0.55 1.29 1.79 0.02 0.00 0.00 175.26 179.52 3jx0 h THR 324 N 2.25 0.89 0.00 3.63 1.35 -1.95 -3.48 112.91 115.59 3jx0 h THR 324 Ca -0.46 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 3jx0 h THR 324 Cb 1.17 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 3jx0 h THR 324 CO 0.73 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 177.11 3jx0 n GLY 325 N 1.28 2.72 3.86 5.82 0.00 -1.26 -4.80 105.19 112.81 3jx0 n GLY 325 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3jx0 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx0 s THR 327 N -2.80 0.56 0.42 0.00 -4.23 -0.02 -4.99 115.64 104.58 3jx0 s THR 327 Ca 0.57 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.38 3jx0 s THR 327 Cb -0.10 -2.37 0.33 0.00 1.34 0.00 0.00 72.50 71.70 3jx0 s THR 327 CO 0.39 0.00 2.11 -0.33 -0.54 0.00 0.00 174.62 176.25 3jx0 h GLU 328 N 1.83 0.00 0.00 3.99 3.07 -2.05 -3.08 114.58 118.34 3jx0 h GLU 328 Ca -0.35 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.40 3jx0 h GLU 328 Cb 1.27 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.16 3jx0 h GLU 328 CO 0.55 0.08 -1.50 0.72 -1.40 0.00 0.00 179.01 177.47 3jx0 n HIS 329 N -3.51 0.73 -3.72 4.33 8.25 -1.26 -4.96 115.22 115.08 3jx0 n HIS 329 Ca -0.02 0.23 -0.13 0.00 -0.26 0.00 0.00 57.72 57.55 3jx0 n HIS 329 Cb 0.22 -0.95 -0.13 0.00 1.12 0.00 0.00 29.99 30.24 3jx0 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jx0 s ILE 330 N -3.09 -0.10 -0.14 1.59 2.07 -1.16 -5.14 121.20 115.23 3jx0 s ILE 330 Ca -0.04 0.18 -0.19 0.00 -1.41 0.00 0.00 60.65 59.19 3jx0 s ILE 330 Cb 0.09 -0.37 -0.04 0.00 0.13 0.00 0.00 42.46 42.28 3jx0 s ILE 330 CO 0.82 0.07 0.52 0.00 -1.91 0.00 0.00 174.94 174.44 3jx0 n MET 332 N 4.03 2.02 0.10 0.00 0.00 -1.26 -4.77 117.12 117.24 3jx0 n MET 332 Ca -0.06 -2.92 0.20 0.00 0.00 0.00 0.00 57.70 54.93 3jx0 n MET 332 Cb 0.51 -1.71 0.75 0.00 0.00 0.00 0.00 33.22 32.77 3jx0 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jx0 h GLY 333 N 0.99 0.00 -2.06 3.03 0.00 -1.93 -1.40 103.07 101.71 3jx0 h GLY 333 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3jx0 h GLY 333 CO 0.18 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.58 3jx0 n SER 334 N -3.70 3.17 -4.71 0.19 3.41 -1.26 -4.88 113.62 105.84 3jx0 n SER 334 Ca 0.07 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.28 3jx0 n SER 334 Cb 0.60 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 3jx0 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx0 s ILE 335 N -1.75 4.33 0.13 -1.33 -1.09 -0.53 -4.97 121.20 115.99 3jx0 s ILE 335 Ca 0.34 1.67 -0.16 0.00 -2.23 0.00 0.00 60.65 60.26 3jx0 s ILE 335 Cb 0.21 -4.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 3jx0 s ILE 335 CO 0.31 0.12 1.71 0.24 -1.23 0.00 0.00 174.94 176.08 3jx0 h MET 336 N 6.86 0.55 -3.40 2.79 2.86 -1.91 -3.38 114.93 119.30 3jx0 h MET 336 Ca -0.41 -0.08 -0.61 0.00 -2.06 0.00 0.00 59.70 56.54 3jx0 h MET 336 Cb 1.21 -0.10 -0.40 0.00 0.06 0.00 0.00 31.60 32.37 3jx0 h MET 336 CO 0.80 0.49 -0.73 -1.17 1.06 0.00 0.00 176.91 177.37 3jx0 s LEU 337 N -9.88 3.06 0.03 1.22 2.96 -1.26 -5.16 118.68 109.64 3jx0 s LEU 337 Ca -0.13 -2.37 0.25 0.00 -0.22 0.00 0.00 54.13 51.66 3jx0 s LEU 337 Cb 0.10 -1.15 0.42 0.00 0.50 0.00 0.00 46.19 46.06 3jx0 s LEU 337 CO 0.74 -0.31 1.35 -0.81 -1.32 0.00 0.00 176.35 176.00 3jx0 n PRO 338 N 3.91 0.10 0.00 0.98 -0.05 -1.26 -5.18 135.00 133.50 3jx0 n PRO 338 Ca 0.05 0.02 0.00 0.00 -0.05 0.00 0.00 63.50 63.52 3jx0 n PRO 338 Cb 0.37 -1.55 0.00 0.00 -0.05 0.00 0.00 33.50 32.27 3jx0 n PRO 338 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 3jx0 n THR 350 N -1.69 0.00 -0.07 0.52 -1.04 -1.26 -4.91 114.28 105.83 3jx0 n THR 350 Ca 0.05 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.96 3jx0 n THR 350 Cb 0.37 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.85 3jx0 n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3jx0 h LYS 351 N 7.94 0.34 0.00 -2.82 1.57 -1.92 0.18 116.57 121.85 3jx0 h LYS 351 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3jx0 h LYS 351 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3jx0 h LYS 351 CO 0.00 0.26 -0.09 -0.44 -0.57 0.00 0.00 179.45 178.61 3jx0 h ASP 352 N 0.31 0.00 0.22 0.86 5.19 -1.99 -3.18 116.42 117.83 3jx0 h ASP 352 Ca 0.09 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.15 3jx0 h ASP 352 Cb 0.01 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 3jx0 h ASP 352 CO -0.02 0.09 -1.92 0.00 -3.12 0.00 0.00 179.24 174.27 3jx0 n GLN 353 N -3.76 0.73 -0.09 3.56 6.02 -0.90 -4.43 117.38 118.50 3jx0 n GLN 353 Ca -0.02 0.27 -0.14 0.00 -0.01 0.00 0.00 57.00 57.10 3jx0 n GLN 353 Cb 0.19 -1.73 -0.04 0.00 1.02 0.00 0.00 30.24 29.69 3jx0 n GLN 353 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3jx0 h LEU 354 N 0.06 0.99 -0.45 1.08 5.85 -0.63 -3.31 115.31 118.89 3jx0 h LEU 354 Ca -0.39 -0.51 -0.10 0.00 0.84 0.00 0.00 57.88 57.72 3jx0 h LEU 354 Cb 2.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 3jx0 h LEU 354 CO 0.09 1.30 -0.13 0.15 -0.34 0.00 0.00 178.44 179.52 3jx0 h PHE 355 N 0.70 0.99 -0.40 1.25 3.57 -1.77 0.18 116.94 121.47 3jx0 h PHE 355 Ca 0.03 -0.22 0.08 0.00 3.53 0.00 0.00 57.97 61.39 3jx0 h PHE 355 Cb 1.09 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.52 3jx0 h PHE 355 CO 0.07 0.99 -0.05 -1.35 -2.23 0.00 0.00 178.31 175.74 3jx0 h PRO 356 N 0.71 0.05 -0.66 6.41 0.11 -1.79 0.13 132.00 136.96 3jx0 h PRO 356 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3jx0 h PRO 356 Cb 0.68 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 3jx0 h PRO 356 CO 0.05 0.03 0.42 -0.07 -0.21 0.00 0.00 178.00 178.22 3jx0 h LEU 357 N 0.05 0.78 0.12 2.35 3.38 -1.53 0.22 115.31 120.68 3jx0 h LEU 357 Ca 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3jx0 h LEU 357 Cb 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3jx0 h LEU 357 CO -0.37 0.59 -0.06 0.00 0.09 0.00 0.00 178.44 178.69 3jx0 h ALA 358 N 1.22 -0.16 0.09 1.53 0.00 -0.35 -1.47 119.26 120.13 3jx0 h ALA 358 Ca 0.24 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3jx0 h ALA 358 Cb -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3jx0 h ALA 358 CO -0.05 -0.56 -0.11 -0.22 0.00 0.00 0.00 179.25 178.32 3jx0 h LYS 359 N -0.24 -0.22 -0.43 0.00 3.64 -0.46 0.18 116.57 119.05 3jx0 h LYS 359 Ca -0.02 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 3jx0 h LYS 359 Cb 0.19 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 3jx0 h LYS 359 CO 0.03 -0.15 -0.17 1.49 -2.27 0.00 0.00 179.45 178.38 3jx0 h GLU 360 N -0.23 -0.07 0.08 1.90 4.81 -0.54 0.28 114.58 120.81 3jx0 h GLU 360 Ca 0.01 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3jx0 h GLU 360 Cb 0.23 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3jx0 h GLU 360 CO -0.04 -0.05 -0.04 0.35 -0.73 0.00 0.00 179.01 178.50 3jx0 h PHE 361 N -0.08 -0.10 -0.74 0.92 3.57 -1.01 -2.69 116.94 116.80 3jx0 h PHE 361 Ca 0.21 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3jx0 h PHE 361 Cb 0.40 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3jx0 h PHE 361 CO -0.42 -0.01 0.42 -0.07 -2.23 0.00 0.00 178.31 175.99 3jx0 h LEU 362 N -0.16 0.91 -0.18 0.59 3.38 -0.10 -0.36 115.31 119.39 3jx0 h LEU 362 Ca -0.01 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3jx0 h LEU 362 Cb 0.13 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3jx0 h LEU 362 CO 0.02 0.73 -0.06 0.44 0.09 0.00 0.00 178.44 179.65 3jx0 h ASP 363 N 1.03 -0.22 -0.54 -0.43 5.19 -0.43 -0.72 116.42 120.31 3jx0 h ASP 363 Ca 0.26 0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.62 3jx0 h ASP 363 Cb 0.01 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 3jx0 h ASP 363 CO -0.04 -0.08 -0.11 0.06 -3.12 0.00 0.00 179.24 175.94 3jx0 h GLN 364 N -0.03 1.02 -0.30 3.56 3.07 -0.99 -1.81 115.11 119.63 3jx0 h GLN 364 Ca 0.09 -0.38 0.06 0.00 0.09 0.00 0.00 58.65 58.50 3jx0 h GLN 364 Cb 0.17 -0.06 -0.05 0.00 0.08 0.00 0.00 27.48 27.61 3jx0 h GLN 364 CO -0.20 1.07 -0.04 -0.92 0.09 0.00 0.00 178.83 178.83 3jx0 h TYR 365 N 0.90 -0.09 -0.00 0.06 3.20 -0.84 -0.64 116.97 119.55 3jx0 h TYR 365 Ca 0.14 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 3jx0 h TYR 365 Cb 0.68 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3jx0 h TYR 365 CO 0.05 -0.09 -0.45 1.88 -1.64 0.00 0.00 178.16 177.90 3jx0 h TYR 366 N 0.04 0.00 -0.28 -3.82 -1.99 -0.98 -2.34 116.97 107.60 3jx0 h TYR 366 Ca 0.14 -0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.77 3jx0 h TYR 366 Cb 0.21 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 3jx0 h TYR 366 CO -0.26 0.46 -0.26 1.03 -0.00 0.00 0.00 178.16 179.13 3jx0 h SER 367 N 0.00 0.56 0.30 3.88 0.87 -0.93 0.11 113.55 118.35 3jx0 h SER 367 Ca -0.00 -0.20 -0.12 0.00 -1.23 0.00 0.00 61.79 60.23 3jx0 h SER 367 Cb 0.80 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 3jx0 h SER 367 CO 0.06 0.81 -0.50 0.77 -0.53 0.00 0.00 176.83 177.44 3jx0 h SER 368 N 0.49 0.25 -0.38 6.23 4.64 -0.59 -1.85 113.55 122.34 3jx0 h SER 368 Ca 0.07 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3jx0 h SER 368 Cb 0.70 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3jx0 h SER 368 CO 0.05 0.71 0.00 2.30 -0.87 0.00 0.00 176.83 179.02 3jx0 n ILE 369 N -3.95 1.18 -3.95 0.95 -5.35 -1.04 -4.91 119.36 102.28 3jx0 n ILE 369 Ca -0.02 -0.72 -0.31 0.00 -0.27 0.00 0.00 62.75 61.44 3jx0 n ILE 369 Cb 0.54 -0.09 0.02 0.00 -1.74 0.00 0.00 39.64 38.37 3jx0 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx0 n LYS 370 N 0.54 -5.19 -2.25 6.28 5.02 -0.70 -4.88 118.16 116.99 3jx0 n LYS 370 Ca 0.16 0.57 -0.09 0.00 -2.02 0.00 0.00 58.31 56.92 3jx0 n LYS 370 Cb 0.62 -5.42 0.05 0.00 -0.02 0.00 0.00 35.03 30.26 3jx0 n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jx0 n ARG 371 N -4.64 2.36 -2.04 1.97 1.74 0.35 -5.02 116.66 111.37 3jx0 n ARG 371 Ca 0.03 -3.65 -0.41 0.00 -0.77 0.00 0.00 57.85 53.05 3jx0 n ARG 371 Cb 0.53 -1.76 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 3jx0 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3jx0 s PHE 372 N -3.39 3.01 -0.17 -1.55 5.36 -1.03 -2.81 117.98 117.41 3jx0 s PHE 372 Ca 0.38 1.18 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 3jx0 s PHE 372 Cb 0.37 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 39.27 3jx0 s PHE 372 CO -0.02 -2.37 0.00 0.41 -1.46 0.00 0.00 175.22 171.78 3jx0 n GLY 373 N 1.62 0.38 3.91 13.12 0.00 -1.26 -5.00 105.19 117.96 3jx0 n GLY 373 Ca 0.04 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 3jx0 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx0 s SER 374 N -2.13 4.86 0.22 1.61 1.04 -1.12 -4.90 113.70 113.28 3jx0 s SER 374 Ca 0.00 0.76 -0.05 0.00 0.48 0.00 0.00 55.95 57.14 3jx0 s SER 374 Cb 0.00 -1.40 0.21 0.00 0.10 0.00 0.00 66.02 64.93 3jx0 s SER 374 CO 0.00 -1.65 1.70 0.50 0.98 0.00 0.00 173.24 174.77 3jx0 h LYS 375 N -0.79 0.92 -0.39 4.02 3.64 -1.95 -1.77 116.57 120.25 3jx0 h LYS 375 Ca -0.45 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 58.64 3jx0 h LYS 375 Cb 1.31 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 3jx0 h LYS 375 CO 0.64 0.92 0.17 0.00 -2.27 0.00 0.00 179.45 178.91 3jx0 h ALA 376 N 1.13 1.57 0.58 5.00 0.00 -1.94 0.35 119.26 125.97 3jx0 h ALA 376 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3jx0 h ALA 376 Cb 0.52 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3jx0 h ALA 376 CO 0.03 0.34 -0.28 1.25 0.00 0.00 0.00 179.25 180.59 3jx0 h HIS 377 N 0.55 -0.73 -0.48 0.00 -0.00 -1.71 -2.22 115.15 110.56 3jx0 h HIS 377 Ca 0.14 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.58 3jx0 h HIS 377 Cb 0.09 0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 27.66 3jx0 h HIS 377 CO 0.00 -0.40 0.05 0.52 -0.00 0.00 0.00 177.93 178.10 3jx0 h MET 378 N -0.97 0.16 -0.72 5.26 2.07 -0.85 -1.55 114.93 118.34 3jx0 h MET 378 Ca -0.08 -0.01 0.13 0.00 -2.07 0.00 0.00 59.70 57.67 3jx0 h MET 378 Cb 0.66 -0.04 -0.09 0.00 -1.87 0.00 0.00 31.60 30.26 3jx0 h MET 378 CO 0.13 0.11 0.29 -0.44 1.07 0.00 0.00 176.91 178.07 3jx0 h ASP 379 N 0.17 0.28 -0.65 1.22 3.32 -0.35 0.14 116.42 120.55 3jx0 h ASP 379 Ca 0.24 0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.31 3jx0 h ASP 379 Cb 0.34 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 3jx0 h ASP 379 CO -0.36 0.12 0.10 -0.09 -1.72 0.00 0.00 179.24 177.30 3jx0 h ARG 380 N 0.45 1.07 -0.35 3.56 9.65 -1.04 -2.69 114.38 125.03 3jx0 h ARG 380 Ca 0.39 -0.29 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3jx0 h ARG 380 Cb 0.55 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 3jx0 h ARG 380 CO -0.37 0.99 0.20 1.25 2.80 0.00 0.00 179.97 184.84 3jx0 h LEU 381 N 0.99 0.42 -0.05 3.80 5.85 0.19 -2.35 115.31 124.16 3jx0 h LEU 381 Ca 0.20 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3jx0 h LEU 381 Cb 0.44 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 3jx0 h LEU 381 CO 0.01 0.36 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.20 3jx0 h GLU 382 N 0.44 -0.28 -0.09 1.25 4.57 -0.85 -2.43 114.58 117.19 3jx0 h GLU 382 Ca 0.12 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3jx0 h GLU 382 Cb 0.03 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3jx0 h GLU 382 CO -0.02 -0.19 -0.05 1.49 -1.18 0.00 0.00 179.01 179.06 3jx0 h GLU 383 N -0.30 0.13 -0.05 1.92 4.81 -1.32 0.57 114.58 120.35 3jx0 h GLU 383 Ca 0.07 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3jx0 h GLU 383 Cb 0.40 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3jx0 h GLU 383 CO -0.22 0.20 -0.14 0.28 -0.73 0.00 0.00 179.01 178.41 3jx0 h VAL 384 N 0.13 1.43 -0.41 0.32 2.07 -1.37 -2.80 116.25 115.62 3jx0 h VAL 384 Ca 0.03 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 3jx0 h VAL 384 Cb 0.19 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 3jx0 h VAL 384 CO 0.01 0.41 0.17 -1.13 0.02 0.00 0.00 177.57 177.05 3jx0 h ASN 385 N -0.33 0.52 -0.63 0.57 -0.73 -0.96 -0.98 115.58 113.04 3jx0 h ASN 385 Ca -0.00 -0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.08 3jx0 h ASN 385 Cb 0.74 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.17 3jx0 h ASN 385 CO 0.03 0.47 0.25 0.11 -0.37 0.00 0.00 177.43 177.93 3jx0 h LYS 386 N 0.58 0.98 0.12 6.67 1.79 0.14 -2.53 116.57 124.31 3jx0 h LYS 386 Ca 0.14 -0.17 -0.29 0.00 -2.18 0.00 0.00 60.65 58.16 3jx0 h LYS 386 Cb 0.11 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 3jx0 h LYS 386 CO -0.02 0.80 -1.38 1.49 -1.08 0.00 0.00 179.45 179.27 3jx0 h GLU 387 N 0.96 0.25 -0.28 3.15 4.81 -1.01 -3.23 114.58 119.22 3jx0 h GLU 387 Ca 0.22 -0.43 -0.14 0.00 -0.13 0.00 0.00 59.36 58.89 3jx0 h GLU 387 Cb 0.20 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3jx0 h GLU 387 CO -0.02 1.15 -0.38 0.82 -0.73 0.00 0.00 179.01 179.85 3jx0 h ILE 388 N 0.07 1.29 0.00 2.32 2.04 -1.17 0.24 117.51 122.30 3jx0 h ILE 388 Ca -0.18 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.11 3jx0 h ILE 388 Cb 1.99 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 39.55 3jx0 h ILE 388 CO 0.18 0.49 -0.12 -0.33 0.00 0.00 0.00 178.15 178.37 3jx0 h GLU 389 N 0.54 0.00 0.00 2.37 4.39 -1.48 -1.22 114.58 119.19 3jx0 h GLU 389 Ca 0.05 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 3jx0 h GLU 389 Cb 0.90 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 3jx0 h GLU 389 CO 0.08 0.12 -1.44 -1.13 -1.16 0.00 0.00 179.01 175.48 3jx0 n SER 390 N -3.78 3.41 -0.32 1.42 3.41 -1.16 -4.69 113.62 111.91 3jx0 n SER 390 Ca -0.02 -0.03 0.11 0.00 -0.26 0.00 0.00 58.87 58.67 3jx0 n SER 390 Cb 0.23 0.03 0.06 0.00 -0.26 0.00 0.00 64.21 64.27 3jx0 n SER 390 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3jx0 n THR 391 N -2.63 0.00 -0.85 6.66 -2.24 0.84 -4.96 114.28 111.10 3jx0 n THR 391 Ca -0.13 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3jx0 n THR 391 Cb 0.66 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 3jx0 n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3jx0 n SER 392 N -0.54 -3.80 -1.36 3.42 3.41 -0.46 -4.91 113.62 109.39 3jx0 n SER 392 Ca 0.09 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.67 3jx0 n SER 392 Cb 0.41 -2.89 -0.01 0.00 -0.26 0.00 0.00 64.21 61.47 3jx0 n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3jx0 n THR 393 N -2.07 0.00 -3.81 6.66 5.66 -1.26 -4.69 114.28 114.77 3jx0 n THR 393 Ca 0.00 -0.32 -0.09 0.00 -3.05 0.00 0.00 64.05 60.59 3jx0 n THR 393 Cb 0.30 0.20 -0.04 0.00 -1.55 0.00 0.00 70.33 69.24 3jx0 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx0 s TYR 394 N -4.58 -0.01 -0.08 1.09 -0.85 -1.26 -3.17 117.35 108.50 3jx0 s TYR 394 Ca 0.05 -0.35 -0.00 0.00 -0.52 0.00 0.00 57.07 56.25 3jx0 s TYR 394 Cb -0.00 0.36 -0.03 0.00 0.38 0.00 0.00 41.96 42.67 3jx0 s TYR 394 CO 0.04 -0.95 -0.05 -0.65 -1.52 0.00 0.00 175.55 172.42 3jx0 s GLN 395 N -3.91 2.87 0.31 -3.49 -1.52 -1.26 -5.06 119.66 107.60 3jx0 s GLN 395 Ca 0.12 -0.50 -0.27 0.00 -1.95 0.00 0.00 55.36 52.76 3jx0 s GLN 395 Cb -0.01 -2.67 -0.10 0.00 -0.22 0.00 0.00 33.01 30.01 3jx0 s GLN 395 CO 0.01 0.65 0.95 -0.51 -0.25 0.00 0.00 175.29 176.14 3jx0 s LEU 396 N -0.77 4.41 0.56 2.90 2.01 -1.26 -5.07 118.68 121.47 3jx0 s LEU 396 Ca 0.12 1.88 -0.17 0.00 0.01 0.00 0.00 54.13 55.97 3jx0 s LEU 396 Cb -0.11 -3.92 -0.05 0.00 0.01 0.00 0.00 46.19 42.12 3jx0 s LEU 396 CO 0.02 -0.03 1.06 -0.54 1.01 0.00 0.00 176.35 177.87 3jx0 s LYS 397 N -1.85 3.42 0.22 1.70 -0.14 -1.26 -4.81 119.74 117.01 3jx0 s LYS 397 Ca 0.48 1.31 -0.13 0.00 -1.36 0.00 0.00 55.97 56.28 3jx0 s LYS 397 Cb -0.21 -2.04 0.27 0.00 -1.68 0.00 0.00 37.83 34.17 3jx0 s LYS 397 CO 0.26 -0.74 1.62 -0.44 -0.76 0.00 0.00 175.35 175.29 3jx0 h ASP 398 N 0.81 -0.61 -0.61 2.83 5.19 -1.98 0.22 116.42 122.27 3jx0 h ASP 398 Ca -0.48 0.20 0.08 0.00 -0.62 0.00 0.00 57.03 56.21 3jx0 h ASP 398 Cb 1.23 0.41 -0.06 0.00 0.18 0.00 0.00 39.33 41.09 3jx0 h ASP 398 CO 0.58 -0.22 0.28 0.71 -3.12 0.00 0.00 179.24 177.46 3jx0 h THR 399 N 0.00 0.86 -0.41 0.35 1.35 -2.00 -0.78 112.91 112.28 3jx0 h THR 399 Ca 0.33 -0.17 -0.14 0.00 -0.55 0.00 0.00 66.41 65.88 3jx0 h THR 399 Cb 0.50 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 3jx0 h THR 399 CO -0.69 0.09 -0.28 -0.33 -0.25 0.00 0.00 175.52 174.06 3jx0 h GLU 400 N 0.50 0.89 -0.14 4.72 5.08 -1.38 -1.87 114.58 122.39 3jx0 h GLU 400 Ca 0.29 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3jx0 h GLU 400 Cb 0.29 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3jx0 h GLU 400 CO -0.24 1.06 0.07 1.25 -1.00 0.00 0.00 179.01 180.14 3jx0 h LEU 401 N 0.76 0.18 -0.09 1.33 5.85 -0.36 0.13 115.31 123.12 3jx0 h LEU 401 Ca 0.09 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3jx0 h LEU 401 Cb 0.84 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 3jx0 h LEU 401 CO 0.07 0.25 0.05 0.40 -0.34 0.00 0.00 178.44 178.87 3jx0 h ILE 402 N 0.10 1.08 -0.31 4.05 2.04 -1.07 -1.39 117.51 122.02 3jx0 h ILE 402 Ca 0.05 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.72 3jx0 h ILE 402 Cb 0.12 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3jx0 h ILE 402 CO -0.01 0.07 0.06 0.22 0.00 0.00 0.00 178.15 178.50 3jx0 h TYR 403 N 0.05 0.10 -0.81 1.37 3.20 -1.36 -2.33 116.97 117.20 3jx0 h TYR 403 Ca 0.03 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3jx0 h TYR 403 Cb 0.07 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 3jx0 h TYR 403 CO -0.05 0.02 0.53 0.78 -1.64 0.00 0.00 178.16 177.80 3jx0 h GLY 404 N 0.17 1.16 1.00 1.82 0.00 -0.40 -0.84 103.07 105.99 3jx0 h GLY 404 Ca 0.14 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 3jx0 h GLY 404 CO -0.19 0.37 0.17 0.00 0.00 0.00 0.00 176.54 176.89 3jx0 h ALA 405 N 1.32 0.75 -0.35 3.60 0.00 -1.09 0.68 119.26 124.17 3jx0 h ALA 405 Ca 0.31 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3jx0 h ALA 405 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3jx0 h ALA 405 CO -0.09 0.43 -0.36 0.87 0.00 0.00 0.00 179.25 180.10 3jx0 h LYS 406 N 0.81 0.87 -0.01 0.00 1.57 -1.16 -2.79 116.57 115.86 3jx0 h LYS 406 Ca 0.18 -0.46 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 3jx0 h LYS 406 Cb 0.30 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3jx0 h LYS 406 CO -0.00 1.10 -0.57 0.45 -0.57 0.00 0.00 179.45 179.86 3jx0 h HIS 407 N 0.66 0.02 -0.56 -1.35 3.86 -0.94 0.24 115.15 117.09 3jx0 h HIS 407 Ca 0.06 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3jx0 h HIS 407 Cb 0.95 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.39 3jx0 h HIS 407 CO 0.07 0.58 0.19 0.00 0.86 0.00 0.00 177.93 179.63 3jx0 h ALA 408 N 1.41 1.29 -0.08 2.45 0.00 -0.66 0.48 119.26 124.15 3jx0 h ALA 408 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3jx0 h ALA 408 Cb 1.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3jx0 h ALA 408 CO 0.08 0.52 0.00 2.35 0.00 0.00 0.00 179.25 182.19 3jx0 h TRP 409 N 0.81 0.16 -0.89 0.00 7.01 -1.22 -2.66 115.95 119.15 3jx0 h TRP 409 Ca 0.19 -0.03 0.17 0.00 2.11 0.00 0.00 58.89 61.33 3jx0 h TRP 409 Cb 0.21 -0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 27.16 3jx0 h TRP 409 CO 0.01 0.40 0.58 -0.09 -2.79 0.00 0.00 178.44 176.55 3jx0 h ARG 410 N -0.13 0.55 -0.01 2.65 2.43 -0.42 -1.58 114.38 117.86 3jx0 h ARG 410 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3jx0 h ARG 410 Cb 0.34 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3jx0 h ARG 410 CO 0.00 0.36 -0.23 0.09 -1.51 0.00 0.00 179.97 178.69 3jx0 n ASN 411 N -4.55 0.82 -4.55 -3.80 3.02 0.11 -4.82 115.26 101.48 3jx0 n ASN 411 Ca 0.18 -0.73 -0.37 0.00 -0.03 0.00 0.00 54.58 53.63 3jx0 n ASN 411 Cb 0.57 0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.78 3jx0 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx0 s ALA 412 N -2.54 2.28 -0.23 5.41 0.00 -0.60 -4.67 121.76 121.42 3jx0 s ALA 412 Ca 0.24 -1.21 0.25 0.00 0.00 0.00 0.00 51.96 51.24 3jx0 s ALA 412 Cb 0.19 -4.37 1.20 0.00 0.00 0.00 0.00 23.12 20.15 3jx0 s ALA 412 CO 0.52 -3.89 1.77 0.66 0.00 0.00 0.00 175.76 174.81 3jx0 h SER 413 N 12.31 0.00 -0.04 0.00 4.64 -1.88 -1.73 113.55 126.85 3jx0 h SER 413 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3jx0 h SER 413 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3jx0 h SER 413 CO 1.26 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.76 3jx0 n ARG 414 N -2.39 1.92 -3.45 4.77 1.74 -1.26 -0.10 116.66 117.89 3jx0 n ARG 414 Ca 0.00 -1.34 -0.41 0.00 -0.77 0.00 0.00 57.85 55.34 3jx0 n ARG 414 Cb 0.15 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 3jx0 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx0 h VAL 416 N 5.53 0.00 -0.59 0.00 3.04 -1.90 -3.32 116.25 119.01 3jx0 h VAL 416 Ca -0.30 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 3jx0 h VAL 416 Cb 1.15 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 3jx0 h VAL 416 CO 0.68 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.85 3jx0 n GLY 417 N 0.39 2.46 0.00 3.17 0.00 -1.26 -4.41 105.19 105.54 3jx0 n GLY 417 Ca 0.03 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.36 3jx0 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx0 n ARG 418 N 1.01 0.25 0.21 1.61 1.74 -1.25 -2.84 116.66 117.39 3jx0 n ARG 418 Ca 0.23 0.12 0.18 0.00 -0.77 0.00 0.00 57.85 57.61 3jx0 n ARG 418 Cb 0.82 -1.50 0.84 0.00 -1.02 0.00 0.00 32.46 31.61 3jx0 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx0 h ILE 419 N 0.00 0.39 -0.00 0.55 2.10 -1.88 0.43 117.51 119.10 3jx0 h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jx0 h ILE 419 Cb 0.16 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 3jx0 h ILE 419 CO 0.00 0.00 -0.09 0.00 -1.08 0.00 0.00 178.15 176.98 3jx0 n GLN 420 N -3.67 0.82 -0.30 2.19 1.13 -1.13 -4.62 117.38 111.80 3jx0 n GLN 420 Ca 0.02 -0.28 0.27 0.00 -1.94 0.00 0.00 57.00 55.07 3jx0 n GLN 420 Cb 0.35 -1.49 0.61 0.00 0.11 0.00 0.00 30.24 29.82 3jx0 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx0 h TRP 421 N 0.67 0.37 0.00 1.08 5.08 -1.14 0.14 115.95 122.16 3jx0 h TRP 421 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3jx0 h TRP 421 Cb 0.33 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 3jx0 h TRP 421 CO 0.00 0.04 -0.24 -1.13 -1.28 0.00 0.00 178.44 175.83 3jx0 n SER 422 N -4.44 0.58 -4.34 0.11 3.41 -1.26 -4.24 113.62 103.44 3jx0 n SER 422 Ca 0.24 0.33 -0.45 0.00 -0.26 0.00 0.00 58.87 58.73 3jx0 n SER 422 Cb 1.00 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3jx0 n SER 422 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3jx0 s LYS 423 N -3.09 4.09 -0.07 4.33 1.02 0.49 -4.96 119.74 121.55 3jx0 s LYS 423 Ca 0.10 -3.05 -0.00 0.00 0.02 0.00 0.00 55.97 53.04 3jx0 s LYS 423 Cb 0.15 -4.56 0.02 0.00 -0.52 0.00 0.00 37.83 32.92 3jx0 s LYS 423 CO 0.63 -1.27 -0.04 -1.17 -0.92 0.00 0.00 175.35 172.58 3jx0 s LEU 424 N -0.87 0.99 -0.19 3.17 2.96 -1.26 -4.58 118.68 118.90 3jx0 s LEU 424 Ca 0.29 -0.16 -0.28 0.00 -0.22 0.00 0.00 54.13 53.76 3jx0 s LEU 424 Cb -0.10 -0.57 -0.00 0.00 0.50 0.00 0.00 46.19 46.03 3jx0 s LEU 424 CO -0.08 -0.13 0.97 -1.58 -1.32 0.00 0.00 176.35 174.21 3jx0 s GLN 425 N 1.56 4.30 -0.22 1.98 2.00 -0.72 -4.97 119.66 123.58 3jx0 s GLN 425 Ca -0.00 1.26 -0.07 0.00 -2.00 0.00 0.00 55.36 54.55 3jx0 s GLN 425 Cb -0.13 -3.60 -0.03 0.00 0.80 0.00 0.00 33.01 30.05 3jx0 s GLN 425 CO -0.04 -0.47 0.05 0.08 -0.50 0.00 0.00 175.29 174.41 3jx0 s VAL 426 N 2.64 4.35 -0.28 1.34 1.01 -1.26 -1.05 120.40 127.14 3jx0 s VAL 426 Ca 0.43 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 3jx0 s VAL 426 Cb -0.16 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 3jx0 s VAL 426 CO 0.11 0.39 0.12 -0.36 0.00 0.00 0.00 175.10 175.35 3jx0 s PHE 427 N 1.18 3.14 -0.55 5.22 0.08 0.85 -4.98 117.98 122.92 3jx0 s PHE 427 Ca 0.04 -0.51 -0.26 0.00 0.12 0.00 0.00 56.93 56.31 3jx0 s PHE 427 Cb -0.14 -2.30 0.03 0.00 -0.57 0.00 0.00 43.02 40.04 3jx0 s PHE 427 CO 0.03 -0.41 1.07 0.34 -0.10 0.00 0.00 175.22 176.15 3jx0 s ASP 428 N 1.61 6.42 -0.30 1.36 -1.08 -1.26 -1.15 116.67 122.27 3jx0 s ASP 428 Ca 0.05 -0.05 0.09 0.00 -0.52 0.00 0.00 52.55 52.13 3jx0 s ASP 428 Cb -0.16 -2.50 0.53 0.00 -1.46 0.00 0.00 42.92 39.33 3jx0 s ASP 428 CO 0.05 -1.34 1.52 0.00 0.52 0.00 0.00 175.17 175.92 3jx0 n ALA 429 N 7.94 4.32 0.69 3.66 0.00 0.07 -4.66 120.51 132.53 3jx0 n ALA 429 Ca 0.06 -3.01 0.08 0.00 0.00 0.00 0.00 53.44 50.57 3jx0 n ALA 429 Cb 0.48 -0.83 0.38 0.00 0.00 0.00 0.00 19.45 19.49 3jx0 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jx0 n ARG 430 N -1.04 0.15 0.00 0.00 1.74 -1.08 -1.89 116.66 114.54 3jx0 n ARG 430 Ca 0.35 0.17 0.14 0.00 -0.77 0.00 0.00 57.85 57.73 3jx0 n ARG 430 Cb 1.10 -1.50 0.44 0.00 -1.02 0.00 0.00 32.46 31.48 3jx0 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jx0 n ASP 431 N -1.36 1.73 -4.77 0.55 5.75 -1.26 -4.56 116.55 112.63 3jx0 n ASP 431 Ca 0.06 -1.55 -0.40 0.00 -0.01 0.00 0.00 54.79 52.89 3jx0 n ASP 431 Cb 0.15 0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.23 3jx0 n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jx0 n THR 433 N 0.70 0.00 -4.37 0.00 -2.24 -1.26 -4.77 114.28 102.34 3jx0 n THR 433 Ca 0.00 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 3jx0 n THR 433 Cb 0.42 0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.88 3jx0 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx0 s THR 434 N -1.46 0.96 0.21 4.28 -4.23 -1.26 -4.65 115.64 109.49 3jx0 s THR 434 Ca 0.00 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.46 3jx0 s THR 434 Cb 0.00 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.28 3jx0 s THR 434 CO 0.00 -0.12 1.62 0.00 -0.54 0.00 0.00 174.62 175.57 3jx0 h ALA 435 N 2.32 0.86 -0.27 3.99 0.00 -1.91 -1.09 119.26 123.17 3jx0 h ALA 435 Ca -0.39 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.14 3jx0 h ALA 435 Cb 1.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3jx0 h ALA 435 CO 0.65 0.63 0.14 0.45 0.00 0.00 0.00 179.25 181.12 3jx0 h HIS 436 N 0.62 0.26 -0.44 0.00 -0.00 -1.97 0.78 115.15 114.42 3jx0 h HIS 436 Ca 0.08 0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.55 3jx0 h HIS 436 Cb 0.78 -0.08 -0.09 0.00 -0.00 0.00 0.00 27.41 28.02 3jx0 h HIS 436 CO 0.04 0.15 -0.21 0.78 -0.00 0.00 0.00 177.93 178.69 3jx0 h GLY 437 N 0.29 0.11 0.35 2.45 0.00 -1.91 -1.17 103.07 103.18 3jx0 h GLY 437 Ca 0.11 0.26 0.11 0.00 0.00 0.00 0.00 47.33 47.81 3jx0 h GLY 437 CO -0.06 -0.20 0.35 -0.33 0.00 0.00 0.00 176.54 176.30 3jx0 h MET 438 N -0.12 0.55 -0.43 4.80 0.00 -0.85 -1.45 114.93 117.43 3jx0 h MET 438 Ca 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 59.70 59.88 3jx0 h MET 438 Cb 0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 31.60 31.90 3jx0 h MET 438 CO -0.51 0.36 0.28 0.35 0.00 0.00 0.00 176.91 177.39 3jx0 h PHE 439 N 0.57 0.53 -0.05 -0.22 -0.00 0.08 -0.46 116.94 117.39 3jx0 h PHE 439 Ca 0.39 0.01 -0.00 0.00 -0.00 0.00 0.00 57.97 58.37 3jx0 h PHE 439 Cb 0.48 -0.18 -0.00 0.00 -0.00 0.00 0.00 35.95 36.25 3jx0 h PHE 439 CO -0.12 0.33 0.03 -0.97 -0.00 0.00 0.00 178.31 177.58 3jx0 h ASN 440 N 0.57 0.07 -0.87 0.41 -1.24 -0.74 -0.05 115.58 113.73 3jx0 h ASN 440 Ca 0.16 -0.12 0.11 0.00 0.71 0.00 0.00 56.30 57.16 3jx0 h ASN 440 Cb -0.06 -0.02 -0.08 0.00 0.73 0.00 0.00 38.32 38.89 3jx0 h ASN 440 CO -0.04 0.17 0.51 1.88 -1.29 0.00 0.00 177.43 178.66 3jx0 h TYR 441 N -0.04 0.92 0.03 0.67 -1.99 -1.17 -1.57 116.97 113.82 3jx0 h TYR 441 Ca 0.02 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 3jx0 h TYR 441 Cb 0.12 -0.28 0.00 0.00 2.00 0.00 0.00 36.73 38.57 3jx0 h TYR 441 CO -0.03 0.35 -0.01 0.82 -0.00 0.00 0.00 178.16 179.28 3jx0 h ILE 442 N 0.82 1.27 -0.98 -2.88 2.04 -0.63 -0.96 117.51 116.18 3jx0 h ILE 442 Ca 0.43 -0.98 0.15 0.00 1.00 0.00 0.00 64.86 65.47 3jx0 h ILE 442 Cb 0.43 1.92 -0.09 0.00 -0.74 0.00 0.00 36.82 38.34 3jx0 h ILE 442 CO -0.27 0.25 0.60 0.00 0.00 0.00 0.00 178.15 178.73 3jx0 h ASN 444 N 0.86 0.78 0.26 0.00 2.35 -1.11 -1.17 115.58 117.55 3jx0 h ASN 444 Ca 0.53 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3jx0 h ASN 444 Cb 0.67 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3jx0 h ASN 444 CO -0.32 0.93 -0.13 -0.74 -1.65 0.00 0.00 177.43 175.52 3jx0 h HIS 445 N 0.70 -0.33 -0.76 1.19 2.76 -0.04 -0.71 115.15 117.97 3jx0 h HIS 445 Ca 0.11 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.39 3jx0 h HIS 445 Cb 0.63 0.11 -0.08 0.00 1.55 0.00 0.00 27.41 29.62 3jx0 h HIS 445 CO 0.03 -0.10 0.37 0.28 -1.30 0.00 0.00 177.93 177.21 3jx0 h VAL 446 N -0.49 0.78 -0.13 5.26 2.07 -0.45 0.71 116.25 124.00 3jx0 h VAL 446 Ca -0.04 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 3jx0 h VAL 446 Cb 0.37 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3jx0 h VAL 446 CO 0.06 0.11 -0.48 0.50 0.02 0.00 0.00 177.57 177.78 3jx0 h LYS 447 N 0.59 0.56 -0.65 1.57 3.64 -1.16 -1.13 116.57 119.98 3jx0 h LYS 447 Ca 0.39 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3jx0 h LYS 447 Cb 0.49 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 3jx0 h LYS 447 CO -0.32 1.04 0.38 -0.92 -2.27 0.00 0.00 179.45 177.36 3jx0 h TYR 448 N 0.18 0.87 -0.14 1.91 3.20 -0.78 -2.07 116.97 120.14 3jx0 h TYR 448 Ca -0.02 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.67 3jx0 h TYR 448 Cb 1.11 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 39.10 3jx0 h TYR 448 CO 0.11 0.60 -0.55 0.00 -1.64 0.00 0.00 178.16 176.68 3jx0 h ALA 449 N 1.19 0.26 0.13 1.82 0.00 -0.85 -3.27 119.26 118.53 3jx0 h ALA 449 Ca 0.23 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3jx0 h ALA 449 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3jx0 h ALA 449 CO -0.04 0.47 -0.11 1.15 0.00 0.00 0.00 179.25 180.72 3jx0 h THR 450 N 0.28 0.76 -6.27 0.00 2.02 -1.23 0.87 112.91 109.34 3jx0 h THR 450 Ca -0.03 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.69 3jx0 h THR 450 Cb 1.18 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 3jx0 h THR 450 CO 0.12 0.00 -0.79 -3.20 0.37 0.00 0.00 175.52 172.01 3jx0 n ASN 451 N -5.23 -3.24 -1.39 4.18 4.05 -0.78 -0.66 115.26 112.19 3jx0 n ASN 451 Ca -0.08 -0.82 -0.15 0.00 0.45 0.00 0.00 54.58 53.98 3jx0 n ASN 451 Cb 0.15 -3.83 -0.07 0.00 1.23 0.00 0.00 39.78 37.27 3jx0 n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3jx0 n LYS 452 N -4.52 -1.38 0.00 1.20 5.02 -1.26 -2.12 118.16 115.09 3jx0 n LYS 452 Ca -0.09 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 3jx0 n LYS 452 Cb 0.58 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 3jx0 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx0 n GLY 453 N -0.24 2.03 3.25 0.72 0.00 0.16 -4.94 105.19 106.17 3jx0 n GLY 453 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3jx0 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jx0 n ASN 454 N 0.00 5.18 -4.75 1.61 4.05 -0.90 -1.11 115.26 119.33 3jx0 n ASN 454 Ca 0.00 -3.03 -0.41 0.00 0.45 0.00 0.00 54.58 51.59 3jx0 n ASN 454 Cb 0.00 -1.54 0.00 0.00 1.23 0.00 0.00 39.78 39.47 3jx0 n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3jx0 n LEU 455 N 5.02 4.52 -4.06 1.20 4.32 -1.23 -4.55 117.00 122.21 3jx0 n LEU 455 Ca 0.38 1.19 -0.23 0.00 -0.02 0.00 0.00 56.01 57.33 3jx0 n LEU 455 Cb 0.40 -1.58 -0.16 0.00 -1.62 0.00 0.00 43.42 40.47 3jx0 n LEU 455 CO 0.69 -0.11 -0.47 -0.13 -1.22 0.00 0.00 177.39 176.16 3jx0 s ARG 456 N -2.13 1.33 0.29 3.23 0.52 0.30 -5.00 118.95 117.49 3jx0 s ARG 456 Ca 0.56 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 55.04 3jx0 s ARG 456 Cb -0.49 -1.19 -0.11 0.00 0.52 0.00 0.00 34.95 33.68 3jx0 s ARG 456 CO 0.62 0.16 1.47 -1.12 0.02 0.00 0.00 175.30 176.45 3jx0 s SER 457 N 0.16 6.55 0.04 0.23 0.01 -1.26 -4.48 113.70 114.94 3jx0 s SER 457 Ca -0.04 2.80 -0.16 0.00 1.31 0.00 0.00 55.95 59.86 3jx0 s SER 457 Cb -0.10 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.52 3jx0 s SER 457 CO 0.01 -0.76 0.35 0.00 0.41 0.00 0.00 173.24 173.25 3jx0 s ALA 458 N -0.27 -0.83 -0.01 1.44 0.00 -0.99 -1.76 121.76 119.34 3jx0 s ALA 458 Ca 0.58 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.70 3jx0 s ALA 458 Cb -0.44 0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3jx0 s ALA 458 CO 0.48 -0.42 0.02 -1.50 0.00 0.00 0.00 175.76 174.35 3jx0 s ILE 459 N -2.41 0.01 -0.13 0.00 2.07 -0.22 -1.38 121.20 119.14 3jx0 s ILE 459 Ca -0.06 -0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.08 3jx0 s ILE 459 Cb -0.01 -0.08 -0.00 0.00 0.13 0.00 0.00 42.46 42.49 3jx0 s ILE 459 CO -0.02 -0.06 -0.18 -0.89 -1.91 0.00 0.00 174.94 171.87 3jx0 s THR 460 N -0.18 2.51 -0.30 4.00 2.01 -0.59 -0.11 115.64 122.99 3jx0 s THR 460 Ca -0.02 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 3jx0 s THR 460 Cb -0.01 -2.03 0.05 0.00 0.01 0.00 0.00 72.50 70.52 3jx0 s THR 460 CO -0.00 0.53 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.82 3jx0 s ILE 461 N 0.57 2.92 0.89 1.82 1.01 -0.30 -3.07 121.20 125.03 3jx0 s ILE 461 Ca -0.11 -1.41 -0.14 0.00 0.00 0.00 0.00 60.65 59.00 3jx0 s ILE 461 Cb -0.16 -2.68 0.13 0.00 0.01 0.00 0.00 42.46 39.76 3jx0 s ILE 461 CO 0.04 -0.10 1.23 -0.36 0.00 0.00 0.00 174.94 175.74 3jx0 s PHE 462 N 1.24 2.35 0.75 3.97 0.08 -0.83 -0.75 117.98 124.79 3jx0 s PHE 462 Ca -0.05 0.59 -0.15 0.00 0.12 0.00 0.00 56.93 57.44 3jx0 s PHE 462 Cb -0.20 -3.72 0.05 0.00 -0.57 0.00 0.00 43.02 38.58 3jx0 s PHE 462 CO -0.01 -2.21 1.23 -2.14 -0.10 0.00 0.00 175.22 171.99 3jx0 s PRO 463 N -5.67 1.95 0.59 0.24 0.02 -1.26 -4.66 135.00 126.22 3jx0 s PRO 463 Ca 0.67 1.86 -0.14 0.00 0.02 0.00 0.00 61.00 63.40 3jx0 s PRO 463 Cb -0.09 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 3jx0 s PRO 463 CO 0.51 -2.00 1.03 1.14 -0.33 0.00 0.00 177.00 177.35 3jx0 s GLN 464 N -3.88 3.54 0.36 5.54 -2.07 -1.26 -4.58 119.66 117.31 3jx0 s GLN 464 Ca 0.76 0.98 -0.25 0.00 -1.82 0.00 0.00 55.36 55.04 3jx0 s GLN 464 Cb -0.32 -2.07 -0.13 0.00 -1.09 0.00 0.00 33.01 29.40 3jx0 s GLN 464 CO 0.47 -0.62 0.68 -2.13 -1.32 0.00 0.00 175.29 172.37 3jx0 n ARG 465 N -2.19 0.73 0.00 9.60 0.63 0.93 -4.92 116.66 121.44 3jx0 n ARG 465 Ca 0.07 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 3jx0 n ARG 465 Cb 0.54 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.89 3jx0 n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jx0 n THR 466 N -0.47 0.00 0.49 5.15 -2.24 -1.26 -4.79 114.28 111.15 3jx0 n THR 466 Ca 0.12 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 3jx0 n THR 466 Cb 0.36 -0.22 0.24 0.00 -2.10 0.00 0.00 70.33 68.61 3jx0 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx0 n ASP 467 N -0.21 3.14 -0.18 3.42 5.68 -1.26 -4.95 116.55 122.19 3jx0 n ASP 467 Ca 0.00 -1.95 -0.02 0.00 -0.50 0.00 0.00 54.79 52.32 3jx0 n ASP 467 Cb 0.00 -0.22 -0.01 0.00 -1.14 0.00 0.00 41.12 39.75 3jx0 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jx0 n GLY 468 N 1.44 0.48 0.42 6.12 0.00 -1.26 -4.81 105.19 107.58 3jx0 n GLY 468 Ca 0.19 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3jx0 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx0 n LYS 469 N -1.51 1.60 -1.91 1.61 5.02 -1.26 -4.55 118.16 117.16 3jx0 n LYS 469 Ca -0.02 -0.91 -0.06 0.00 -2.02 0.00 0.00 58.31 55.30 3jx0 n LYS 469 Cb 0.26 -1.31 0.07 0.00 -0.02 0.00 0.00 35.03 34.02 3jx0 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx0 n HIS 470 N 0.00 1.27 -1.97 2.13 8.25 -1.26 -4.35 115.22 119.29 3jx0 n HIS 470 Ca 0.07 -1.74 -0.41 0.00 -0.26 0.00 0.00 57.72 55.38 3jx0 n HIS 470 Cb 0.37 -0.25 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 3jx0 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jx0 s ASP 471 N -3.30 6.57 -0.05 0.41 1.11 -1.26 -3.46 116.67 116.68 3jx0 s ASP 471 Ca 0.38 2.85 -0.18 0.00 0.18 0.00 0.00 52.55 55.78 3jx0 s ASP 471 Cb 0.37 -2.66 -0.05 0.00 1.07 0.00 0.00 42.92 41.66 3jx0 s ASP 471 CO -0.04 -0.70 0.51 -0.36 1.18 0.00 0.00 175.17 175.76 3jx0 s PHE 472 N -1.04 3.61 -0.06 4.23 0.40 -1.26 0.04 117.98 123.90 3jx0 s PHE 472 Ca 0.51 1.03 -0.05 0.00 -0.60 0.00 0.00 56.93 57.82 3jx0 s PHE 472 Cb -0.43 -2.53 0.02 0.00 0.51 0.00 0.00 43.02 40.59 3jx0 s PHE 472 CO 0.57 0.32 0.15 1.03 0.70 0.00 0.00 175.22 177.99 3jx0 s ARG 473 N 0.03 0.16 -0.27 0.44 1.81 0.50 -2.95 118.95 118.67 3jx0 s ARG 473 Ca 0.28 0.24 -0.13 0.00 -1.72 0.00 0.00 55.73 54.39 3jx0 s ARG 473 Cb -0.17 0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.33 3jx0 s ARG 473 CO 0.13 -0.05 0.31 0.08 -0.68 0.00 0.00 175.30 175.09 3jx0 s VAL 474 N 0.28 5.23 0.18 3.52 1.01 -1.26 -0.61 120.40 128.74 3jx0 s VAL 474 Ca -0.02 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3jx0 s VAL 474 Cb -0.03 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 3jx0 s VAL 474 CO -0.01 0.20 1.41 -0.50 0.00 0.00 0.00 175.10 176.21 3jx0 h TRP 475 N 8.16 0.28 -3.86 5.22 4.06 -1.16 -3.42 115.95 125.24 3jx0 h TRP 475 Ca -0.33 -0.14 -0.55 0.00 2.06 0.00 0.00 58.89 59.92 3jx0 h TRP 475 Cb 1.17 -0.03 0.18 0.00 -1.00 0.00 0.00 29.16 29.48 3jx0 h TRP 475 CO 0.75 0.93 0.14 0.09 -3.56 0.00 0.00 178.44 176.79 3jx0 n ASN 476 N -3.69 0.58 0.03 -3.49 4.13 -1.26 -4.92 115.26 106.64 3jx0 n ASN 476 Ca -0.03 0.65 -0.10 0.00 1.68 0.00 0.00 54.58 56.77 3jx0 n ASN 476 Cb 0.77 -1.43 -0.13 0.00 -1.54 0.00 0.00 39.78 37.45 3jx0 n ASN 476 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3jx0 h SER 477 N -0.39 0.12 -4.27 6.41 4.64 -1.91 -3.34 113.55 114.81 3jx0 h SER 477 Ca -0.47 -0.17 -0.36 0.00 -0.47 0.00 0.00 61.79 60.32 3jx0 h SER 477 Cb 1.33 -0.04 -0.18 0.00 -0.31 0.00 0.00 62.40 63.19 3jx0 h SER 477 CO 0.47 1.14 -0.75 -1.10 -0.87 0.00 0.00 176.83 175.72 3jx0 s GLN 478 N -2.65 0.90 0.27 4.77 -0.21 -1.26 -1.08 119.66 120.40 3jx0 s GLN 478 Ca -0.04 -1.16 -0.03 0.00 0.02 0.00 0.00 55.36 54.15 3jx0 s GLN 478 Cb 0.08 -0.69 0.36 0.00 1.00 0.00 0.00 33.01 33.76 3jx0 s GLN 478 CO 0.83 0.12 1.88 -0.07 -2.12 0.00 0.00 175.29 175.93 3jx0 h LEU 479 N 3.63 0.95 -8.10 2.90 3.38 -1.19 -3.38 115.31 113.50 3jx0 h LEU 479 Ca -0.38 -0.09 -0.67 0.00 0.09 0.00 0.00 57.88 56.82 3jx0 h LEU 479 Cb 1.19 -0.24 -0.33 0.00 0.09 0.00 0.00 40.66 41.37 3jx0 h LEU 479 CO 0.51 0.79 -0.77 -0.63 0.09 0.00 0.00 178.44 178.42 3jx0 s ILE 480 N -5.64 2.64 0.14 1.22 1.01 -1.26 -4.89 121.20 114.42 3jx0 s ILE 480 Ca -0.11 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 59.43 3jx0 s ILE 480 Cb 0.17 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3jx0 s ILE 480 CO 0.81 0.25 0.14 -0.13 0.00 0.00 0.00 174.94 176.00 3jx0 s ARG 481 N 1.30 0.99 -0.05 2.79 0.52 -1.26 -4.85 118.95 118.38 3jx0 s ARG 481 Ca 0.00 -1.31 -0.04 0.00 -0.52 0.00 0.00 55.73 53.86 3jx0 s ARG 481 Cb -0.16 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.56 3jx0 s ARG 481 CO -0.06 -0.31 0.16 0.71 0.02 0.00 0.00 175.30 175.82 3jx0 s TYR 482 N -4.00 3.55 0.87 -0.53 1.51 -1.26 -0.56 117.35 116.93 3jx0 s TYR 482 Ca 0.20 0.41 -0.11 0.00 -1.01 0.00 0.00 57.07 56.56 3jx0 s TYR 482 Cb 0.06 -1.86 0.11 0.00 -0.11 0.00 0.00 41.96 40.16 3jx0 s TYR 482 CO -0.00 0.67 1.09 0.00 -1.11 0.00 0.00 175.55 176.20 3jx0 s ALA 483 N -1.21 1.70 -0.03 3.71 0.00 0.34 -4.43 121.76 121.84 3jx0 s ALA 483 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.23 3jx0 s ALA 483 Cb -0.12 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.80 3jx0 s ALA 483 CO 0.13 -2.23 -0.00 0.20 0.00 0.00 0.00 175.76 173.85 3jx0 s GLY 484 N -3.38 0.28 -0.10 0.00 0.00 -1.24 -1.28 107.32 101.59 3jx0 s GLY 484 Ca 0.63 0.12 0.02 0.00 0.00 0.00 0.00 44.72 45.49 3jx0 s GLY 484 CO 0.57 0.65 -0.15 -0.19 0.00 0.00 0.00 173.10 173.98 3jx0 s TYR 485 N 1.11 1.91 0.25 1.90 1.51 -0.52 -4.16 117.35 119.36 3jx0 s TYR 485 Ca -0.08 -0.87 -0.30 0.00 -1.01 0.00 0.00 57.07 54.80 3jx0 s TYR 485 Cb -0.13 -1.38 -0.09 0.00 -0.11 0.00 0.00 41.96 40.24 3jx0 s TYR 485 CO -0.02 -0.45 1.04 0.15 -1.11 0.00 0.00 175.55 175.17 3jx0 s LYS 486 N 0.95 4.71 0.17 -0.62 1.02 -1.26 -1.07 119.74 123.63 3jx0 s LYS 486 Ca -0.08 1.68 0.09 0.00 0.02 0.00 0.00 55.97 57.69 3jx0 s LYS 486 Cb -0.15 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 3jx0 s LYS 486 CO -0.01 0.29 -0.13 -0.65 -0.92 0.00 0.00 175.35 173.94 3jx0 s GLN 487 N -1.17 1.95 0.47 1.68 -0.21 -0.70 -4.94 119.66 116.73 3jx0 s GLN 487 Ca 0.44 -1.27 0.33 0.00 0.02 0.00 0.00 55.36 54.88 3jx0 s GLN 487 Cb -0.29 -2.12 1.45 0.00 1.00 0.00 0.00 33.01 33.05 3jx0 s GLN 487 CO 0.37 0.44 1.67 -1.35 -2.12 0.00 0.00 175.29 174.30 3jx0 h PRO 488 N 3.14 0.10 -0.90 2.91 0.11 -1.97 0.55 132.00 135.95 3jx0 h PRO 488 Ca -0.47 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.78 3jx0 h PRO 488 Cb 1.20 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 3jx0 h PRO 488 CO 0.52 0.07 0.58 0.22 -0.21 0.00 0.00 178.00 179.17 3jx0 h ASP 489 N 0.10 0.64 0.00 -2.05 1.82 -2.02 -3.46 116.42 111.46 3jx0 h ASP 489 Ca 0.77 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 57.45 3jx0 h ASP 489 Cb 2.58 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 42.51 3jx0 h ASP 489 CO -0.26 0.32 0.00 0.61 -1.61 0.00 0.00 179.24 178.30 3jx0 n GLY 490 N -1.43 2.78 3.89 -0.78 0.00 0.19 -5.07 105.19 104.76 3jx0 n GLY 490 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3jx0 n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx0 s SER 491 N -1.33 2.57 -0.06 1.61 1.04 -1.26 -4.79 113.70 111.49 3jx0 s SER 491 Ca 0.00 0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.69 3jx0 s SER 491 Cb 0.00 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.91 3jx0 s SER 491 CO 0.00 -3.07 -0.16 -0.89 0.98 0.00 0.00 173.24 170.10 3jx0 s THR 492 N -3.82 1.39 -0.16 2.02 2.01 -1.26 -1.72 115.64 114.10 3jx0 s THR 492 Ca 0.76 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 3jx0 s THR 492 Cb -0.03 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 3jx0 s THR 492 CO 0.54 0.41 0.04 -0.22 -0.69 0.00 0.00 174.62 174.70 3jx0 s LEU 493 N 0.27 3.73 0.00 4.42 0.20 -0.23 -4.97 118.68 122.10 3jx0 s LEU 493 Ca -0.09 0.09 0.00 0.00 0.69 0.00 0.00 54.13 54.82 3jx0 s LEU 493 Cb -0.13 -1.92 0.00 0.00 -0.43 0.00 0.00 46.19 43.71 3jx0 s LEU 493 CO 0.03 0.22 0.00 0.61 -0.29 0.00 0.00 176.35 176.93 3jx0 n GLY 494 N 3.20 0.03 3.52 7.98 0.00 -1.26 -1.44 105.19 117.22 3jx0 n GLY 494 Ca -0.17 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 3jx0 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx0 s ASP 495 N -4.00 6.35 0.53 1.61 -1.08 -0.40 -4.76 116.67 114.91 3jx0 s ASP 495 Ca 0.00 -0.32 0.19 0.00 -0.52 0.00 0.00 52.55 51.91 3jx0 s ASP 495 Cb 0.00 -2.37 1.33 0.00 -1.46 0.00 0.00 42.92 40.42 3jx0 s ASP 495 CO 0.00 -0.94 2.11 -0.65 0.52 0.00 0.00 175.17 176.21 3jx0 h PRO 496 N 9.02 0.00 -0.07 4.34 0.11 -1.82 -1.96 132.00 141.62 3jx0 h PRO 496 Ca -0.25 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.87 3jx0 h PRO 496 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jx0 h PRO 496 CO 0.97 0.00 0.10 0.00 -0.21 0.00 0.00 178.00 178.86 3jx0 h ALA 497 N 1.92 1.51 -0.40 -0.75 0.00 -1.92 -2.86 119.26 116.76 3jx0 h ALA 497 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3jx0 h ALA 497 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3jx0 h ALA 497 CO -0.00 -0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.21 3jx0 n ASN 498 N -3.62 3.38 0.01 0.00 3.02 -0.74 -4.69 115.26 112.62 3jx0 n ASN 498 Ca -0.01 -2.23 -0.10 0.00 -0.03 0.00 0.00 54.58 52.21 3jx0 n ASN 498 Cb 0.19 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 3jx0 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx0 h VAL 499 N 2.39 0.54 0.06 2.41 2.07 -1.58 0.26 116.25 122.38 3jx0 h VAL 499 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3jx0 h VAL 499 Cb 0.96 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3jx0 h VAL 499 CO 0.06 0.00 -0.03 -0.61 0.02 0.00 0.00 177.57 177.02 3jx0 h GLN 500 N -0.24 -0.07 -0.71 1.57 4.15 -1.85 -1.31 115.11 116.66 3jx0 h GLN 500 Ca 0.09 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 3jx0 h GLN 500 Cb 0.37 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 3jx0 h GLN 500 CO -0.25 0.01 0.31 0.35 -1.93 0.00 0.00 178.83 177.32 3jx0 h PHE 501 N -0.14 1.04 -0.67 3.99 3.57 -1.84 -1.63 116.94 121.26 3jx0 h PHE 501 Ca -0.01 -0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.53 3jx0 h PHE 501 Cb 0.12 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.46 3jx0 h PHE 501 CO -0.05 0.79 0.30 1.15 -2.23 0.00 0.00 178.31 178.26 3jx0 h THR 502 N 0.99 0.79 -0.90 4.41 2.02 -0.22 -1.60 112.91 118.40 3jx0 h THR 502 Ca 0.24 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 3jx0 h THR 502 Cb 0.16 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 3jx0 h THR 502 CO -0.03 0.09 0.49 -0.33 0.37 0.00 0.00 175.52 176.12 3jx0 h GLU 503 N 0.50 1.26 -0.67 6.66 5.08 -0.36 -1.02 114.58 126.03 3jx0 h GLU 503 Ca 0.34 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3jx0 h GLU 503 Cb 0.41 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3jx0 h GLU 503 CO -0.30 0.92 0.30 0.82 -1.00 0.00 0.00 179.01 179.75 3jx0 h ILE 504 N 1.26 1.22 -0.40 3.13 2.04 -0.67 0.25 117.51 124.34 3jx0 h ILE 504 Ca 0.32 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 3jx0 h ILE 504 Cb 0.03 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3jx0 h ILE 504 CO -0.05 0.27 0.08 0.00 0.00 0.00 0.00 178.15 178.45 3jx0 h ILE 506 N 0.50 0.93 -0.08 0.00 1.08 -0.69 -1.82 117.51 117.44 3jx0 h ILE 506 Ca 0.12 -0.15 0.02 0.00 -0.39 0.00 0.00 64.86 64.46 3jx0 h ILE 506 Cb 0.33 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 3jx0 h ILE 506 CO 0.00 0.08 0.12 -0.61 -0.69 0.00 0.00 178.15 177.06 3jx0 h GLN 507 N 0.44 0.00 -0.24 2.37 4.15 -0.80 -1.11 115.11 119.92 3jx0 h GLN 507 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3jx0 h GLN 507 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 3jx0 h GLN 507 CO -0.17 0.00 0.00 1.04 -1.93 0.00 0.00 178.83 177.77 3jx0 n GLN 508 N -3.55 2.24 0.00 1.69 6.02 -0.85 -4.98 117.38 117.94 3jx0 n GLN 508 Ca -0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 57.00 55.21 3jx0 n GLN 508 Cb 0.21 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3jx0 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3jx0 n GLY 509 N 0.48 1.09 3.73 1.08 0.00 -0.42 -4.94 105.19 106.21 3jx0 n GLY 509 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3jx0 n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jx0 s TRP 510 N -1.97 3.05 -0.31 1.61 -0.00 -0.74 -4.98 118.94 115.61 3jx0 s TRP 510 Ca 0.00 0.85 -0.19 0.00 -0.00 0.00 0.00 56.10 56.75 3jx0 s TRP 510 Cb 0.00 -3.86 -0.01 0.00 -0.00 0.00 0.00 33.47 29.60 3jx0 s TRP 510 CO 0.00 -2.98 0.59 0.15 -0.00 0.00 0.00 176.95 174.70 3jx0 s LYS 511 N 0.37 3.86 -0.16 5.86 1.02 -1.26 -4.56 119.74 124.87 3jx0 s LYS 511 Ca 0.64 0.20 -0.13 0.00 0.02 0.00 0.00 55.97 56.70 3jx0 s LYS 511 Cb -0.42 -3.73 -0.05 0.00 -0.52 0.00 0.00 37.83 33.10 3jx0 s LYS 511 CO 0.37 -0.56 0.26 0.00 -0.92 0.00 0.00 175.35 174.50 3jx0 s ALA 512 N 2.52 3.63 -0.27 5.17 0.00 -1.26 -4.96 121.76 126.58 3jx0 s ALA 512 Ca 0.23 -0.50 0.27 0.00 0.00 0.00 0.00 51.96 51.97 3jx0 s ALA 512 Cb -0.15 -2.33 1.11 0.00 0.00 0.00 0.00 23.12 21.75 3jx0 s ALA 512 CO 0.12 0.14 1.82 -1.35 0.00 0.00 0.00 175.76 176.48 3jx0 h PRO 513 N 6.54 0.00 -5.92 0.00 0.11 -1.99 -3.46 132.00 127.27 3jx0 h PRO 513 Ca -0.42 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.28 3jx0 h PRO 513 Cb 1.17 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.38 3jx0 h PRO 513 CO 0.75 0.00 -0.72 0.54 -0.21 0.00 0.00 178.00 178.36 3jx0 n ARG 514 N -2.58 -7.16 -3.31 1.05 5.12 -1.26 -5.01 116.66 103.52 3jx0 n ARG 514 Ca 0.02 0.78 -0.21 0.00 -1.93 0.00 0.00 57.85 56.51 3jx0 n ARG 514 Cb 0.27 -5.77 0.02 0.00 -1.16 0.00 0.00 32.46 25.82 3jx0 n ARG 514 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3jx0 s GLY 515 N -3.53 1.98 0.41 -0.13 0.00 -1.26 -5.02 107.32 99.78 3jx0 s GLY 515 Ca 0.49 -1.82 0.19 0.00 0.00 0.00 0.00 44.72 43.58 3jx0 s GLY 515 CO 0.75 -1.71 1.85 -0.09 0.00 0.00 0.00 173.10 173.91 3jx0 h ARG 516 N 0.53 0.00 -1.26 2.90 2.43 -1.93 -3.38 114.38 113.67 3jx0 h ARG 516 Ca -0.35 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.35 3jx0 h ARG 516 Cb 1.29 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.43 3jx0 h ARG 516 CO 0.48 0.30 -0.98 1.19 -1.51 0.00 0.00 179.97 179.46 3jx0 n PHE 517 N -3.73 2.23 -2.99 2.20 3.01 -1.26 -4.16 117.46 112.76 3jx0 n PHE 517 Ca -0.01 -2.96 -0.41 0.00 1.01 0.00 0.00 57.45 55.08 3jx0 n PHE 517 Cb 0.40 -0.24 -0.05 0.00 -0.01 0.00 0.00 39.48 39.58 3jx0 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx0 s ASP 518 N -3.32 6.81 0.03 4.37 1.01 -1.26 -4.92 116.67 119.39 3jx0 s ASP 518 Ca 0.37 0.99 -0.30 0.00 0.71 0.00 0.00 52.55 54.32 3jx0 s ASP 518 Cb 0.43 -2.40 -0.07 0.00 1.01 0.00 0.00 42.92 41.89 3jx0 s ASP 518 CO -0.07 -0.37 1.51 -0.69 0.21 0.00 0.00 175.17 175.76 3jx0 s VAL 519 N 2.22 3.39 0.66 -1.27 1.01 -1.26 -0.51 120.40 124.64 3jx0 s VAL 519 Ca 0.33 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.97 3jx0 s VAL 519 Cb -0.16 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3jx0 s VAL 519 CO 0.10 -0.00 1.16 -0.76 0.00 0.00 0.00 175.10 175.61 3jx0 s LEU 520 N 2.46 3.45 0.64 3.92 1.43 0.28 -4.86 118.68 126.00 3jx0 s LEU 520 Ca 0.68 2.22 -0.11 0.00 -1.03 0.00 0.00 54.13 55.89 3jx0 s LEU 520 Cb -0.35 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.26 3jx0 s LEU 520 CO 0.29 -1.80 1.04 -2.16 0.23 0.00 0.00 176.35 173.95 3jx0 s PRO 521 N -3.80 3.43 0.24 1.29 0.04 -1.26 -4.78 135.00 130.16 3jx0 s PRO 521 Ca 0.72 0.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.28 3jx0 s PRO 521 Cb -0.26 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 3jx0 s PRO 521 CO 0.40 -0.69 0.83 -0.51 0.04 0.00 0.00 177.00 177.06 3jx0 s LEU 522 N -5.25 4.44 -0.32 -3.56 1.43 0.12 -4.88 118.68 110.66 3jx0 s LEU 522 Ca 0.56 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 55.34 3jx0 s LEU 522 Cb -0.11 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.56 3jx0 s LEU 522 CO 0.54 0.06 0.06 -0.22 0.23 0.00 0.00 176.35 177.02 3jx0 s LEU 523 N -1.70 3.67 -0.15 1.79 0.20 -1.26 -1.78 118.68 119.45 3jx0 s LEU 523 Ca 0.43 -1.89 -0.02 0.00 0.69 0.00 0.00 54.13 53.33 3jx0 s LEU 523 Cb -0.20 -1.32 -0.02 0.00 -0.43 0.00 0.00 46.19 44.22 3jx0 s LEU 523 CO 0.24 -0.38 -0.07 -0.76 -0.29 0.00 0.00 176.35 175.09 3jx0 s LEU 524 N 1.20 3.02 -0.19 -0.68 1.43 -0.67 -0.57 118.68 122.23 3jx0 s LEU 524 Ca 0.09 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3jx0 s LEU 524 Cb -0.18 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3jx0 s LEU 524 CO -0.14 0.15 -0.12 -1.58 0.23 0.00 0.00 176.35 174.89 3jx0 s GLN 525 N 0.45 3.22 -0.07 1.70 0.74 0.21 -1.01 119.66 124.90 3jx0 s GLN 525 Ca -0.06 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 54.65 3jx0 s GLN 525 Cb -0.15 -2.76 -0.02 0.00 1.10 0.00 0.00 33.01 31.18 3jx0 s GLN 525 CO 0.04 -0.13 -0.14 0.00 -0.55 0.00 0.00 175.29 174.51 3jx0 s ALA 526 N 1.21 2.67 -1.62 1.58 0.00 -1.26 -0.37 121.76 123.96 3jx0 s ALA 526 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3jx0 s ALA 526 Cb -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.94 3jx0 s ALA 526 CO -0.05 0.49 0.00 0.09 0.00 0.00 0.00 175.76 176.29 3jx0 n ASN 527 N 2.56 -5.46 0.00 0.00 3.02 -1.20 -0.55 115.26 113.64 3jx0 n ASN 527 Ca -0.17 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3jx0 n ASN 527 Cb 0.52 -4.57 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 3jx0 n ASN 527 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jx0 n GLY 528 N -0.96 0.16 3.74 7.41 0.00 0.11 -4.39 105.19 111.25 3jx0 n GLY 528 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 3jx0 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx0 s ASN 529 N -2.02 3.81 0.29 1.61 0.01 0.29 -4.89 114.94 114.04 3jx0 s ASN 529 Ca 0.00 1.45 -0.29 0.00 -0.71 0.00 0.00 52.86 53.32 3jx0 s ASN 529 Cb 0.00 -2.15 -0.14 0.00 0.41 0.00 0.00 41.25 39.37 3jx0 s ASN 529 CO 0.00 -2.42 1.11 0.47 -1.51 0.00 0.00 177.10 174.75 3jx0 n ASP 530 N -3.74 1.76 -4.82 -1.22 10.43 -1.26 -4.41 116.55 113.28 3jx0 n ASP 530 Ca 0.07 1.18 -0.32 0.00 2.57 0.00 0.00 54.79 58.29 3jx0 n ASP 530 Cb 0.55 -1.34 -0.00 0.00 1.84 0.00 0.00 41.12 42.17 3jx0 n ASP 530 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3jx0 s PRO 531 N -1.48 3.52 0.07 -0.24 0.04 -1.26 -4.73 135.00 130.91 3jx0 s PRO 531 Ca 0.59 1.08 0.09 0.00 0.04 0.00 0.00 61.00 62.80 3jx0 s PRO 531 Cb -0.67 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 3jx0 s PRO 531 CO 0.59 -0.64 -0.23 -1.21 0.04 0.00 0.00 177.00 175.55 3jx0 s GLU 532 N -4.20 1.43 0.28 4.56 2.02 -0.18 -4.85 118.70 117.76 3jx0 s GLU 532 Ca 0.61 -1.10 -0.25 0.00 0.02 0.00 0.00 54.97 54.24 3jx0 s GLU 532 Cb -0.14 -1.67 -0.09 0.00 0.10 0.00 0.00 34.13 32.34 3jx0 s GLU 532 CO 0.37 0.41 0.89 -0.51 0.02 0.00 0.00 175.26 176.45 3jx0 s LEU 533 N -1.51 4.40 -0.15 1.80 1.43 -1.26 -1.67 118.68 121.72 3jx0 s LEU 533 Ca 0.09 1.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.82 3jx0 s LEU 533 Cb -0.10 -3.83 0.04 0.00 0.03 0.00 0.00 46.19 42.34 3jx0 s LEU 533 CO 0.03 0.00 0.40 -0.36 0.23 0.00 0.00 176.35 176.66 3jx0 s PHE 534 N -1.50 -0.46 -0.36 0.29 0.40 -0.74 -4.96 117.98 110.65 3jx0 s PHE 534 Ca 0.46 1.10 -0.18 0.00 -0.60 0.00 0.00 56.93 57.71 3jx0 s PHE 534 Cb -0.20 0.16 -0.00 0.00 0.51 0.00 0.00 43.02 43.50 3jx0 s PHE 534 CO 0.25 -0.23 0.52 -1.14 0.70 0.00 0.00 175.22 175.32 3jx0 s GLN 535 N 0.35 3.58 0.02 0.44 0.74 -1.26 0.14 119.66 123.67 3jx0 s GLN 535 Ca -0.01 -0.19 -0.37 0.00 0.05 0.00 0.00 55.36 54.84 3jx0 s GLN 535 Cb -0.03 -3.83 -0.16 0.00 1.10 0.00 0.00 33.01 30.09 3jx0 s GLN 535 CO -0.01 -0.68 1.48 -0.89 -0.55 0.00 0.00 175.29 174.64 3jx0 n ILE 536 N 5.46 0.09 -1.62 -2.34 5.41 -1.26 -4.83 119.36 120.27 3jx0 n ILE 536 Ca -0.04 -0.02 -0.52 0.00 1.00 0.00 0.00 62.75 63.17 3jx0 n ILE 536 Cb 0.49 -1.06 -0.06 0.00 -0.71 0.00 0.00 39.64 38.30 3jx0 n ILE 536 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3jx0 n PRO 537 N 3.41 1.32 -0.10 0.38 -0.02 -1.26 -4.80 135.00 133.93 3jx0 n PRO 537 Ca 0.20 0.48 0.21 0.00 -2.02 0.00 0.00 63.50 62.36 3jx0 n PRO 537 Cb 0.20 -2.15 0.63 0.00 -0.02 0.00 0.00 33.50 32.17 3jx0 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jx0 h PRO 538 N 5.17 0.14 0.00 0.52 0.11 -1.95 0.14 132.00 136.13 3jx0 h PRO 538 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jx0 h PRO 538 Cb 1.32 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3jx0 h PRO 538 CO 0.82 0.09 0.00 -0.85 -0.21 0.00 0.00 178.00 177.85 3jx0 n GLU 539 N -4.39 0.29 0.02 1.05 0.00 -1.26 -2.22 120.64 114.12 3jx0 n GLU 539 Ca 0.14 0.07 0.11 0.00 0.00 0.00 0.00 57.16 57.48 3jx0 n GLU 539 Cb 0.67 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.59 3jx0 n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3jx0 n LEU 540 N -1.31 0.61 -4.39 -1.84 4.77 0.04 -4.73 117.00 110.14 3jx0 n LEU 540 Ca 0.10 -0.10 -0.45 0.00 -0.03 0.00 0.00 56.01 55.53 3jx0 n LEU 540 Cb 0.19 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3jx0 n LEU 540 CO 0.18 0.08 0.66 -0.69 -1.33 0.00 0.00 177.39 176.29 3jx0 s VAL 541 N -3.19 5.06 -0.10 4.08 1.01 -0.94 -4.78 120.40 121.55 3jx0 s VAL 541 Ca 0.03 -1.77 -0.30 0.00 0.00 0.00 0.00 61.98 59.95 3jx0 s VAL 541 Cb 0.15 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 3jx0 s VAL 541 CO 0.82 -1.26 1.42 -0.22 0.00 0.00 0.00 175.10 175.87 3jx0 s LEU 542 N 1.79 4.26 0.15 3.92 2.96 -1.26 -5.00 118.68 125.48 3jx0 s LEU 542 Ca 0.23 1.96 0.09 0.00 -0.22 0.00 0.00 54.13 56.19 3jx0 s LEU 542 Cb -0.11 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 3jx0 s LEU 542 CO -0.06 -0.81 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.34 3jx0 s GLU 543 N 3.47 1.30 -0.17 1.98 2.02 -1.26 -0.48 118.70 125.57 3jx0 s GLU 543 Ca 0.63 -1.35 -0.00 0.00 0.02 0.00 0.00 54.97 54.27 3jx0 s GLU 543 Cb -0.27 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.41 3jx0 s GLU 543 CO 0.22 0.34 -0.15 0.08 0.02 0.00 0.00 175.26 175.77 3jx0 s VAL 544 N -1.54 2.60 0.33 2.63 1.01 0.15 -4.91 120.40 120.66 3jx0 s VAL 544 Ca 0.14 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 3jx0 s VAL 544 Cb -0.08 -2.11 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 3jx0 s VAL 544 CO 0.07 0.51 1.14 -2.16 0.00 0.00 0.00 175.10 174.65 3jx0 s PRO 545 N 1.03 4.43 -0.28 2.72 0.04 -1.26 -1.89 135.00 139.78 3jx0 s PRO 545 Ca -0.01 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 3jx0 s PRO 545 Cb -0.15 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 3jx0 s PRO 545 CO -0.04 0.01 0.34 0.42 0.04 0.00 0.00 177.00 177.77 3jx0 s ILE 546 N -1.27 5.19 0.19 0.56 -1.09 0.94 -4.85 121.20 120.88 3jx0 s ILE 546 Ca 0.49 0.46 0.02 0.00 -2.23 0.00 0.00 60.65 59.39 3jx0 s ILE 546 Cb -0.32 -3.68 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 3jx0 s ILE 546 CO 0.41 0.15 0.01 0.00 -1.23 0.00 0.00 174.94 174.28 3jx0 s ARG 547 N 2.02 1.19 -0.08 2.79 3.03 -1.26 -4.20 118.95 122.44 3jx0 s ARG 547 Ca 0.13 -1.59 0.00 0.00 2.03 0.00 0.00 55.73 56.31 3jx0 s ARG 547 Cb -0.16 -0.35 -0.03 0.00 -1.03 0.00 0.00 34.95 33.38 3jx0 s ARG 547 CO 0.10 -0.14 -0.07 -1.58 -1.13 0.00 0.00 175.30 172.49 3jx0 s HIS 548 N -3.61 2.93 -0.44 5.89 2.46 -1.26 -4.43 115.29 116.85 3jx0 s HIS 548 Ca 0.26 -0.04 0.22 0.00 0.47 0.00 0.00 55.06 55.97 3jx0 s HIS 548 Cb 0.06 -1.74 0.99 0.00 -0.13 0.00 0.00 32.58 31.77 3jx0 s HIS 548 CO 0.06 0.27 1.67 -0.35 -2.47 0.00 0.00 174.74 173.92 3jx0 n PRO 549 N 2.41 0.17 0.00 2.88 -0.04 -1.26 -3.82 135.00 135.34 3jx0 n PRO 549 Ca -0.18 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 3jx0 n PRO 549 Cb 0.53 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 3jx0 n PRO 549 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3jx0 n LYS 550 N -2.19 2.24 -3.35 0.54 5.02 -1.26 -4.99 118.16 114.16 3jx0 n LYS 550 Ca 0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 3jx0 n LYS 550 Cb 0.16 -0.93 -0.09 0.00 -0.02 0.00 0.00 35.03 34.16 3jx0 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx0 s PHE 551 N -1.85 3.19 0.36 2.13 2.99 -1.25 -4.94 117.98 118.61 3jx0 s PHE 551 Ca 0.00 -0.55 0.11 0.00 0.00 0.00 0.00 56.93 56.49 3jx0 s PHE 551 Cb 0.00 -2.92 0.69 0.00 0.00 0.00 0.00 43.02 40.79 3jx0 s PHE 551 CO 0.00 -0.72 1.82 0.22 -0.00 0.00 0.00 175.22 176.54 3jx0 h ASP 552 N 8.73 0.09 0.56 1.36 3.58 -1.94 -2.88 116.42 125.92 3jx0 h ASP 552 Ca -0.27 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.15 3jx0 h ASP 552 Cb 1.11 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.14 3jx0 h ASP 552 CO 0.81 0.42 0.00 -2.67 -2.88 0.00 0.00 179.24 174.92 3jx0 n TRP 553 N -4.12 0.00 0.12 0.28 4.27 -1.26 -3.93 117.44 112.80 3jx0 n TRP 553 Ca -0.02 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.62 3jx0 n TRP 553 Cb 0.39 -0.48 0.42 0.00 -1.36 0.00 0.00 31.31 30.28 3jx0 n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3jx0 h PHE 554 N 0.00 0.26 -0.27 -2.67 3.57 -1.88 -2.05 116.94 113.90 3jx0 h PHE 554 Ca 0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3jx0 h PHE 554 Cb 0.28 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3jx0 h PHE 554 CO 0.00 0.33 0.12 1.57 -2.23 0.00 0.00 178.31 178.09 3jx0 h LYS 555 N 0.25 0.37 0.00 1.11 2.10 -1.73 -2.73 116.57 115.93 3jx0 h LYS 555 Ca 0.05 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3jx0 h LYS 555 Cb 0.28 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 3jx0 h LYS 555 CO 0.01 0.30 0.00 -0.25 -2.00 0.00 0.00 179.45 177.52 3jx0 n ASP 556 N -4.43 0.13 0.15 7.07 8.00 -0.77 -1.68 116.55 125.02 3jx0 n ASP 556 Ca 0.01 0.55 0.13 0.00 0.71 0.00 0.00 54.79 56.19 3jx0 n ASP 556 Cb 0.12 -0.57 0.44 0.00 -0.02 0.00 0.00 41.12 41.09 3jx0 n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jx0 h LEU 557 N 0.00 0.00 0.53 0.64 3.38 -1.65 -3.47 115.31 114.74 3jx0 h LEU 557 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3jx0 h LEU 557 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3jx0 h LEU 557 CO 0.00 0.00 -0.16 0.61 0.09 0.00 0.00 178.44 178.98 3jx0 n GLY 558 N 0.69 0.20 3.83 0.83 0.00 -0.68 -5.00 105.19 105.07 3jx0 n GLY 558 Ca 0.04 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 3jx0 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx0 s LEU 559 N -1.91 4.46 0.09 0.99 1.43 -1.26 -5.01 118.68 117.47 3jx0 s LEU 559 Ca 0.03 1.05 -0.13 0.00 -1.03 0.00 0.00 54.13 54.05 3jx0 s LEU 559 Cb -0.01 -2.81 0.02 0.00 0.03 0.00 0.00 46.19 43.41 3jx0 s LEU 559 CO 0.04 0.26 0.30 -1.59 0.23 0.00 0.00 176.35 175.59 3jx0 s LYS 560 N -1.30 0.91 0.06 1.70 -2.85 -1.26 -0.04 119.74 116.96 3jx0 s LYS 560 Ca 0.28 -0.74 -0.01 0.00 -1.00 0.00 0.00 55.97 54.50 3jx0 s LYS 560 Cb -0.17 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 3jx0 s LYS 560 CO 0.16 -0.32 -0.02 -0.46 0.10 0.00 0.00 175.35 174.82 3jx0 s TRP 561 N -3.48 0.53 0.39 1.78 -0.11 -0.79 -4.94 118.94 112.33 3jx0 s TRP 561 Ca 0.01 -1.07 -0.14 0.00 1.22 0.00 0.00 56.10 56.13 3jx0 s TRP 561 Cb 0.02 -0.39 -0.08 0.00 -1.50 0.00 0.00 33.47 31.52 3jx0 s TRP 561 CO -0.09 -0.39 0.81 1.52 -4.62 0.00 0.00 176.95 174.17 3jx0 s TYR 562 N -3.93 3.41 -0.47 5.86 -0.85 -1.26 0.32 117.35 120.43 3jx0 s TYR 562 Ca 0.08 1.24 0.24 0.00 -0.52 0.00 0.00 57.07 58.11 3jx0 s TYR 562 Cb 0.08 -2.57 0.47 0.00 0.38 0.00 0.00 41.96 40.32 3jx0 s TYR 562 CO -0.09 -0.07 1.66 0.78 -1.52 0.00 0.00 175.55 176.31 3jx0 h GLY 563 N 1.67 0.00 -7.66 5.49 0.00 -1.13 -3.45 103.07 97.98 3jx0 h GLY 563 Ca -0.48 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.16 3jx0 h GLY 563 CO 0.64 0.00 -0.62 -2.27 0.00 0.00 0.00 176.54 174.29 3jx0 s LEU 564 N -5.89 4.37 -0.32 3.11 2.96 -1.26 -4.58 118.68 117.07 3jx0 s LEU 564 Ca 0.07 -1.34 -0.24 0.00 -0.22 0.00 0.00 54.13 52.40 3jx0 s LEU 564 Cb 0.07 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.94 3jx0 s LEU 564 CO 0.65 -0.35 0.82 -2.16 -1.32 0.00 0.00 176.35 173.99 3jx0 s PRO 565 N 1.31 3.93 -0.34 0.98 0.04 -1.26 -4.67 135.00 134.99 3jx0 s PRO 565 Ca -0.01 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 61.61 3jx0 s PRO 565 Cb -0.20 -3.75 0.12 0.00 0.04 0.00 0.00 34.50 30.71 3jx0 s PRO 565 CO 0.00 -0.74 0.18 0.00 0.04 0.00 0.00 177.00 176.48 3jx0 s ALA 566 N 3.08 1.07 -0.01 8.56 0.00 -1.26 -2.79 121.76 130.41 3jx0 s ALA 566 Ca 0.34 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 50.27 3jx0 s ALA 566 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 3jx0 s ALA 566 CO 0.14 -1.93 1.26 0.08 0.00 0.00 0.00 175.76 175.30 3jx0 s VAL 567 N 1.31 4.04 0.00 0.00 1.01 0.12 -0.61 120.40 126.27 3jx0 s VAL 567 Ca 0.15 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3jx0 s VAL 567 Cb -0.21 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3jx0 s VAL 567 CO -0.12 0.02 0.39 -1.54 0.00 0.00 0.00 175.10 173.86 3jx0 n SER 568 N 4.96 0.72 -0.84 3.32 3.41 -0.24 -0.97 113.62 123.97 3jx0 n SER 568 Ca 0.11 -1.10 0.09 0.00 -0.26 0.00 0.00 58.87 57.70 3jx0 n SER 568 Cb 0.45 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.56 3jx0 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx0 n ASN 569 N -0.05 2.96 -4.95 4.04 6.94 -1.23 -4.40 115.26 118.57 3jx0 n ASN 569 Ca 0.00 -1.87 -0.22 0.00 -0.02 0.00 0.00 54.58 52.48 3jx0 n ASN 569 Cb 0.14 -0.19 0.04 0.00 -2.36 0.00 0.00 39.78 37.41 3jx0 n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3jx0 s MET 570 N -1.20 2.44 -0.14 -3.83 -1.94 -1.26 -4.39 119.30 108.97 3jx0 s MET 570 Ca 0.28 -0.79 0.02 0.00 -1.71 0.00 0.00 55.69 53.49 3jx0 s MET 570 Cb 0.17 -2.46 0.01 0.00 2.01 0.00 0.00 34.83 34.55 3jx0 s MET 570 CO 0.23 -0.81 -0.20 -1.17 -0.01 0.00 0.00 175.02 173.06 3jx0 s LEU 571 N -4.82 2.24 -0.26 -0.03 0.20 0.46 -4.44 118.68 112.02 3jx0 s LEU 571 Ca 0.58 -0.56 -0.18 0.00 0.69 0.00 0.00 54.13 54.66 3jx0 s LEU 571 Cb -0.10 -1.48 -0.03 0.00 -0.43 0.00 0.00 46.19 44.15 3jx0 s LEU 571 CO 0.39 0.08 0.53 -0.22 -0.29 0.00 0.00 176.35 176.85 3jx0 s LEU 572 N 0.80 4.06 -0.24 -0.68 2.96 -0.55 -0.58 118.68 124.44 3jx0 s LEU 572 Ca -0.07 0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 54.32 3jx0 s LEU 572 Cb -0.16 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.83 3jx0 s LEU 572 CO -0.01 -0.31 0.03 -0.70 -1.32 0.00 0.00 176.35 174.04 3jx0 s GLU 573 N 2.35 3.46 -0.07 1.98 2.12 0.36 -0.53 118.70 128.36 3jx0 s GLU 573 Ca 0.22 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.97 3jx0 s GLU 573 Cb -0.16 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.04 3jx0 s GLU 573 CO 0.09 -0.23 -0.11 0.42 -0.54 0.00 0.00 175.26 174.89 3jx0 s ILE 574 N 1.54 1.08 -1.45 -3.70 1.01 -0.49 -1.75 121.20 117.45 3jx0 s ILE 574 Ca 0.06 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.15 3jx0 s ILE 574 Cb -0.15 -1.02 0.11 0.00 0.01 0.00 0.00 42.46 41.42 3jx0 s ILE 574 CO 0.01 0.35 0.63 0.61 0.00 0.00 0.00 174.94 176.54 3jx0 n GLY 575 N 4.06 -0.47 2.59 6.18 0.00 -1.26 0.19 105.19 116.48 3jx0 n GLY 575 Ca -0.21 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3jx0 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx0 n GLY 576 N -1.26 2.40 3.85 -0.02 0.00 -1.26 -3.30 105.19 105.60 3jx0 n GLY 576 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3jx0 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx0 s LEU 577 N 0.00 4.23 -0.23 0.99 1.43 0.13 -5.00 118.68 120.23 3jx0 s LEU 577 Ca 0.00 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.27 3jx0 s LEU 577 Cb 0.00 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.62 3jx0 s LEU 577 CO 0.00 -0.03 -0.13 -1.61 0.23 0.00 0.00 176.35 174.81 3jx0 s GLU 578 N -2.42 2.62 -0.68 1.70 2.02 -1.26 -1.39 118.70 119.29 3jx0 s GLU 578 Ca 0.45 -1.09 -0.10 0.00 0.02 0.00 0.00 54.97 54.25 3jx0 s GLU 578 Cb -0.13 -2.81 0.18 0.00 0.10 0.00 0.00 34.13 31.47 3jx0 s GLU 578 CO 0.20 -0.41 0.57 -0.06 0.02 0.00 0.00 175.26 175.58 3jx0 s PHE 579 N 1.21 3.55 -0.43 1.61 0.40 0.31 -0.05 117.98 124.58 3jx0 s PHE 579 Ca -0.02 -2.10 0.26 0.00 -0.60 0.00 0.00 56.93 54.47 3jx0 s PHE 579 Cb -0.17 -3.59 0.97 0.00 0.51 0.00 0.00 43.02 40.74 3jx0 s PHE 579 CO -0.08 -0.95 1.77 0.66 0.70 0.00 0.00 175.22 177.32 3jx0 h SER 580 N 7.80 0.00 -3.28 1.36 4.64 -1.81 -1.46 113.55 120.80 3jx0 h SER 580 Ca -0.03 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.76 3jx0 h SER 580 Cb 1.03 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.74 3jx0 h SER 580 CO 0.79 0.00 -0.79 0.00 -0.87 0.00 0.00 176.83 175.96 3jx0 s ALA 581 N -3.32 1.33 -0.41 5.18 0.00 -1.15 -4.66 121.76 118.72 3jx0 s ALA 581 Ca 0.05 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.40 3jx0 s ALA 581 Cb 0.10 -1.04 0.34 0.00 0.00 0.00 0.00 23.12 22.52 3jx0 s ALA 581 CO 0.49 -0.70 1.26 0.00 0.00 0.00 0.00 175.76 176.80 3jx0 n PRO 583 N -0.22 1.87 -4.07 0.00 -0.04 -1.17 -4.63 135.00 126.74 3jx0 n PRO 583 Ca -0.02 0.66 -0.08 0.00 -0.04 0.00 0.00 63.50 64.02 3jx0 n PRO 583 Cb 0.78 -2.22 -0.10 0.00 -0.04 0.00 0.00 33.50 31.92 3jx0 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jx0 s PHE 584 N -0.64 0.49 0.03 0.54 -0.12 -0.14 -1.54 117.98 116.60 3jx0 s PHE 584 Ca 0.62 -0.89 -0.13 0.00 -0.05 0.00 0.00 56.93 56.48 3jx0 s PHE 584 Cb -0.65 -0.35 0.02 0.00 -0.63 0.00 0.00 43.02 41.41 3jx0 s PHE 584 CO 0.56 -0.29 0.29 -1.54 -0.05 0.00 0.00 175.22 174.19 3jx0 s SER 585 N -2.49 -0.11 0.00 1.98 1.04 -0.48 0.15 113.70 113.80 3jx0 s SER 585 Ca 0.01 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3jx0 s SER 585 Cb 0.02 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3jx0 s SER 585 CO -0.07 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.19 3jx0 n GLY 586 N 0.73 4.42 3.18 7.32 0.00 -1.12 -2.34 105.19 117.39 3jx0 n GLY 586 Ca -0.19 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 3jx0 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx0 s TRP 587 N 3.18 0.10 0.45 1.61 -2.14 -1.26 -4.54 118.94 116.34 3jx0 s TRP 587 Ca 0.00 -0.39 -0.23 0.00 2.66 0.00 0.00 56.10 58.14 3jx0 s TRP 587 Cb 0.00 -0.05 -0.08 0.00 -3.10 0.00 0.00 33.47 30.24 3jx0 s TRP 587 CO 0.00 -0.46 1.11 0.71 -2.66 0.00 0.00 176.95 175.65 3jx0 s TYR 588 N -2.99 3.00 0.02 1.66 1.51 -1.26 -4.88 117.35 114.40 3jx0 s TYR 588 Ca -0.02 1.58 -0.17 0.00 -1.01 0.00 0.00 57.07 57.45 3jx0 s TYR 588 Cb 0.01 -3.25 -0.06 0.00 -0.11 0.00 0.00 41.96 38.55 3jx0 s TYR 588 CO -0.06 -1.14 0.49 1.41 -1.11 0.00 0.00 175.55 175.14 3jx0 s MET 589 N -2.76 4.10 0.30 -0.62 -2.45 -1.26 -1.50 119.30 115.11 3jx0 s MET 589 Ca 0.63 0.57 0.05 0.00 -1.25 0.00 0.00 55.69 55.68 3jx0 s MET 589 Cb -0.24 -3.26 0.69 0.00 1.25 0.00 0.00 34.83 33.27 3jx0 s MET 589 CO 0.30 0.59 1.80 0.78 1.05 0.00 0.00 175.02 179.54 3jx0 h GLY 590 N 4.93 1.70 2.00 2.11 0.00 -0.93 -1.82 103.07 111.06 3jx0 h GLY 590 Ca -0.49 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.46 3jx0 h GLY 590 CO 0.64 0.02 -0.02 -0.91 0.00 0.00 0.00 176.54 176.27 3jx0 h THR 591 N 0.83 0.51 -0.76 4.70 1.35 -1.94 -1.83 112.91 115.78 3jx0 h THR 591 Ca 0.55 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 66.31 3jx0 h THR 591 Cb 0.76 1.06 -0.04 0.00 -1.73 0.00 0.00 68.15 68.20 3jx0 h THR 591 CO -0.33 0.02 0.44 -0.33 -0.25 0.00 0.00 175.52 175.07 3jx0 h GLU 592 N 0.00 1.04 0.00 4.72 5.08 -1.74 -0.97 114.58 122.71 3jx0 h GLU 592 Ca -0.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3jx0 h GLU 592 Cb 0.05 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3jx0 h GLU 592 CO 0.00 0.75 -0.21 0.82 -1.00 0.00 0.00 179.01 179.37 3jx0 h ILE 593 N 1.04 0.40 -0.46 3.13 2.04 -1.64 -1.63 117.51 120.39 3jx0 h ILE 593 Ca 0.27 -1.34 -0.13 0.00 1.00 0.00 0.00 64.86 64.66 3jx0 h ILE 593 Cb -0.01 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 3jx0 h ILE 593 CO -0.05 0.14 -0.21 1.23 0.00 0.00 0.00 178.15 179.25 3jx0 h GLY 594 N -1.00 1.02 0.00 5.37 0.00 -1.38 0.26 103.07 107.34 3jx0 h GLY 594 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.41 3jx0 h GLY 594 CO -0.02 0.81 -0.26 -2.08 0.00 0.00 0.00 176.54 174.99 3jx0 h VAL 595 N 0.81 0.00 0.03 4.60 2.07 -1.42 -3.34 116.25 119.00 3jx0 h VAL 595 Ca 0.11 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3jx0 h VAL 595 Cb 0.77 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3jx0 h VAL 595 CO 0.06 0.00 -0.01 0.03 0.02 0.00 0.00 177.57 177.67 3jx0 h ARG 596 N -0.97 -0.03 -0.96 1.57 2.47 -1.42 -1.74 114.38 113.30 3jx0 h ARG 596 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3jx0 h ARG 596 Cb 0.26 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.54 3jx0 h ARG 596 CO 0.00 0.14 0.59 -0.91 0.56 0.00 0.00 179.97 180.35 3jx0 h ASN 597 N -1.00 1.14 0.38 7.04 2.35 -1.11 -2.47 115.58 121.90 3jx0 h ASN 597 Ca -0.00 -0.06 -0.32 0.00 -0.55 0.00 0.00 56.30 55.37 3jx0 h ASN 597 Cb 0.19 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3jx0 h ASN 597 CO 0.01 0.86 -1.77 1.88 -1.65 0.00 0.00 177.43 176.76 3jx0 h TYR 598 N 1.32 0.21 0.00 1.19 0.99 -1.09 -2.21 116.97 117.37 3jx0 h TYR 598 Ca 0.34 -0.15 -0.07 0.00 2.00 0.00 0.00 58.73 60.86 3jx0 h TYR 598 Cb -0.08 -0.01 -0.01 0.00 1.00 0.00 0.00 36.73 37.63 3jx0 h TYR 598 CO 0.00 1.30 -1.53 0.00 -0.00 0.00 0.00 178.16 177.94 3jx0 n ASP 600 N -2.04 1.34 -0.36 0.00 9.92 -0.93 -4.57 116.55 119.91 3jx0 n ASP 600 Ca -0.07 1.13 0.11 0.00 -0.53 0.00 0.00 54.79 55.43 3jx0 n ASP 600 Cb 0.47 -1.14 0.29 0.00 -0.64 0.00 0.00 41.12 40.11 3jx0 n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3jx0 h ASN 601 N 4.29 0.84 -0.31 -2.24 2.35 -1.93 -0.51 115.58 118.06 3jx0 h ASN 601 Ca -0.48 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3jx0 h ASN 601 Cb 1.35 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.65 3jx0 h ASN 601 CO 0.75 0.35 0.00 -1.54 -1.65 0.00 0.00 177.43 175.34 3jx0 n SER 602 N -4.72 2.52 0.00 5.81 3.41 -1.26 -4.65 113.62 114.73 3jx0 n SER 602 Ca 0.22 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 3jx0 n SER 602 Cb 0.50 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3jx0 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jx0 n ARG 603 N 0.41 1.72 0.24 4.33 5.12 -0.21 -4.29 116.66 123.98 3jx0 n ARG 603 Ca 0.12 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.16 3jx0 n ARG 603 Cb 0.49 0.00 0.54 0.00 -1.16 0.00 0.00 32.46 32.33 3jx0 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx0 h TYR 604 N 0.00 0.00 -6.23 -1.55 -1.99 -1.53 -3.42 116.97 102.24 3jx0 h TYR 604 Ca 0.00 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.30 3jx0 h TYR 604 Cb 0.00 0.00 0.08 0.00 2.00 0.00 0.00 36.73 38.81 3jx0 h TYR 604 CO 0.00 0.18 -0.93 -1.71 -0.00 0.00 0.00 178.16 175.70 3jx0 n ASN 605 N -3.40 -4.72 -0.69 3.88 5.15 -0.06 -4.91 115.26 110.50 3jx0 n ASN 605 Ca -0.00 -1.00 0.12 0.00 -0.60 0.00 0.00 54.58 53.10 3jx0 n ASN 605 Cb 0.38 -3.41 0.21 0.00 -0.53 0.00 0.00 39.78 36.42 3jx0 n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3jx0 n ILE 606 N -4.19 0.00 -0.20 -1.44 -5.35 -0.21 -4.49 119.36 103.48 3jx0 n ILE 606 Ca -0.12 -0.36 -0.01 0.00 -0.27 0.00 0.00 62.75 61.99 3jx0 n ILE 606 Cb 0.60 1.12 0.10 0.00 -1.74 0.00 0.00 39.64 39.72 3jx0 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx0 h LEU 607 N 3.41 0.24 -0.15 7.28 3.38 -1.87 -1.61 115.31 125.98 3jx0 h LEU 607 Ca 0.00 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3jx0 h LEU 607 Cb 0.79 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 3jx0 h LEU 607 CO 0.00 0.15 -0.19 -0.33 0.09 0.00 0.00 178.44 178.15 3jx0 h GLU 608 N 0.41 -0.23 -0.53 1.13 5.08 -1.99 -1.05 114.58 117.40 3jx0 h GLU 608 Ca 0.29 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 3jx0 h GLU 608 Cb 0.34 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3jx0 h GLU 608 CO -0.29 -0.15 0.26 0.93 -1.00 0.00 0.00 179.01 178.77 3jx0 h GLU 609 N -0.24 0.76 -0.38 2.33 5.08 -1.72 -1.90 114.58 118.51 3jx0 h GLU 609 Ca 0.11 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3jx0 h GLU 609 Cb 0.39 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3jx0 h GLU 609 CO -0.29 0.62 0.13 0.28 -1.00 0.00 0.00 179.01 178.75 3jx0 h VAL 610 N 0.71 1.20 -0.64 3.13 2.07 -1.16 -2.09 116.25 119.47 3jx0 h VAL 610 Ca 0.18 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3jx0 h VAL 610 Cb 0.10 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3jx0 h VAL 610 CO -0.02 0.23 0.25 0.00 0.02 0.00 0.00 177.57 178.04 3jx0 h ALA 611 N 0.98 1.22 -0.40 1.67 0.00 -1.09 -1.59 119.26 120.05 3jx0 h ALA 611 Ca 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3jx0 h ALA 611 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3jx0 h ALA 611 CO -0.01 0.56 0.15 0.87 0.00 0.00 0.00 179.25 180.83 3jx0 h LYS 612 N 0.93 0.57 0.01 0.00 1.57 -0.99 -2.00 116.57 116.65 3jx0 h LYS 612 Ca 0.22 -0.08 -0.21 0.00 -1.87 0.00 0.00 60.65 58.71 3jx0 h LYS 612 Cb 0.20 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3jx0 h LYS 612 CO -0.02 0.48 -1.00 0.87 -0.57 0.00 0.00 179.45 179.21 3jx0 h LYS 613 N 0.56 0.02 0.00 3.15 1.57 -0.77 -2.81 116.57 118.29 3jx0 h LYS 613 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3jx0 h LYS 613 Cb 0.13 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3jx0 h LYS 613 CO -0.01 1.00 0.00 -1.33 -0.57 0.00 0.00 179.45 178.54 3jx0 n MET 614 N -3.38 0.20 -3.93 3.15 2.81 -0.65 -4.93 117.12 110.38 3jx0 n MET 614 Ca -0.01 0.08 -0.29 0.00 -1.81 0.00 0.00 57.70 55.67 3jx0 n MET 614 Cb 0.93 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.94 3jx0 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx0 n ASP 615 N -1.37 -1.76 -4.88 7.83 2.03 -0.78 -5.00 116.55 112.61 3jx0 n ASP 615 Ca 0.09 -1.06 -0.30 0.00 0.52 0.00 0.00 54.79 54.04 3jx0 n ASP 615 Cb 0.22 -2.87 -0.04 0.00 -0.72 0.00 0.00 41.12 37.71 3jx0 n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jx0 s LEU 616 N -6.93 4.00 -0.50 -2.67 1.43 -1.03 -5.04 118.68 107.94 3jx0 s LEU 616 Ca 0.16 0.94 -0.28 0.00 -1.03 0.00 0.00 54.13 53.92 3jx0 s LEU 616 Cb -0.07 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3jx0 s LEU 616 CO 0.90 -0.24 1.56 -0.62 0.23 0.00 0.00 176.35 178.18 3jx0 s ASP 617 N -2.94 5.98 -0.09 2.29 2.15 -1.26 -4.85 116.67 117.94 3jx0 s ASP 617 Ca 0.48 0.58 0.19 0.00 0.43 0.00 0.00 52.55 54.23 3jx0 s ASP 617 Cb -0.11 -2.54 0.70 0.00 -0.30 0.00 0.00 42.92 40.68 3jx0 s ASP 617 CO 0.28 -1.77 1.61 0.23 -0.17 0.00 0.00 175.17 175.34 3jx0 n MET 618 N 8.60 3.52 0.23 4.34 2.81 -1.26 -4.45 117.12 130.91 3jx0 n MET 618 Ca 0.16 -2.79 0.11 0.00 -1.81 0.00 0.00 57.70 53.38 3jx0 n MET 618 Cb 0.49 -1.84 0.46 0.00 -0.71 0.00 0.00 33.22 31.62 3jx0 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jx0 h ARG 619 N 4.09 0.00 -2.89 0.03 3.08 -2.04 -3.45 114.38 113.21 3jx0 h ARG 619 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3jx0 h ARG 619 Cb 1.36 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.20 3jx0 h ARG 619 CO 0.19 0.18 -0.23 -1.59 -1.07 0.00 0.00 179.97 177.45 3jx0 s LYS 620 N -3.59 0.64 0.56 0.04 -2.85 -1.26 -5.04 119.74 108.24 3jx0 s LYS 620 Ca 0.01 0.04 0.24 0.00 -1.00 0.00 0.00 55.97 55.26 3jx0 s LYS 620 Cb 0.09 0.29 1.57 0.00 -2.06 0.00 0.00 37.83 37.73 3jx0 s LYS 620 CO 0.63 -0.16 2.19 1.79 0.10 0.00 0.00 175.35 179.89 3jx0 h THR 621 N 3.97 0.72 0.00 3.79 1.35 -1.93 -2.94 112.91 117.87 3jx0 h THR 621 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3jx0 h THR 621 Cb 1.18 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3jx0 h THR 621 CO 0.36 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.09 3jx0 n SER 622 N -4.14 0.00 0.07 5.36 3.41 -1.26 -1.30 113.62 115.76 3jx0 n SER 622 Ca -0.02 0.32 0.10 0.00 -0.26 0.00 0.00 58.87 59.02 3jx0 n SER 622 Cb 0.14 -0.43 0.43 0.00 -0.26 0.00 0.00 64.21 64.08 3jx0 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx0 n SER 623 N -1.43 0.41 -2.58 4.04 3.41 -1.11 -4.91 113.62 111.44 3jx0 n SER 623 Ca 0.08 0.59 -0.21 0.00 -0.26 0.00 0.00 58.87 59.07 3jx0 n SER 623 Cb 0.27 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 63.55 3jx0 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jx0 n LEU 624 N -1.94 -2.22 -0.20 1.04 4.77 -0.42 -4.90 117.00 113.13 3jx0 n LEU 624 Ca 0.03 -0.12 -0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3jx0 n LEU 624 Cb 0.24 -2.92 0.24 0.00 -2.33 0.00 0.00 43.42 38.65 3jx0 n LEU 624 CO 0.19 -0.04 1.19 4.11 -1.33 0.00 0.00 177.39 181.51 3jx0 h TRP 625 N -0.53 0.92 -0.65 -1.77 5.08 -1.83 0.05 115.95 117.22 3jx0 h TRP 625 Ca -0.50 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.47 3jx0 h TRP 625 Cb 1.36 -0.30 -0.03 0.00 -3.00 0.00 0.00 29.16 27.18 3jx0 h TRP 625 CO 0.53 0.62 0.42 0.87 -1.28 0.00 0.00 178.44 179.60 3jx0 h LYS 626 N 0.97 0.86 -0.43 0.12 1.57 -1.90 -1.47 116.57 116.29 3jx0 h LYS 626 Ca 0.25 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.83 3jx0 h LYS 626 Cb -0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3jx0 h LYS 626 CO -0.05 0.58 -0.32 -0.44 -0.57 0.00 0.00 179.45 178.65 3jx0 h ASP 627 N 0.88 1.02 0.33 0.86 5.19 -1.62 -0.53 116.42 122.54 3jx0 h ASP 627 Ca 0.24 -0.44 -0.01 0.00 -0.62 0.00 0.00 57.03 56.20 3jx0 h ASP 627 Cb -0.09 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.14 3jx0 h ASP 627 CO -0.05 1.24 -0.19 1.56 -3.12 0.00 0.00 179.24 178.68 3jx0 h GLN 628 N 0.80 -0.48 -0.39 3.56 4.20 -0.89 -2.41 115.11 119.51 3jx0 h GLN 628 Ca 0.08 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.83 3jx0 h GLN 628 Cb 0.91 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 3jx0 h GLN 628 CO 0.08 -0.32 0.26 0.00 -0.67 0.00 0.00 178.83 178.18 3jx0 h ALA 629 N 0.16 1.75 -0.35 3.87 0.00 -1.15 -2.86 119.26 120.68 3jx0 h ALA 629 Ca -0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3jx0 h ALA 629 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3jx0 h ALA 629 CO 0.04 0.22 0.05 1.25 0.00 0.00 0.00 179.25 180.81 3jx0 h LEU 630 N 0.50 0.57 -0.13 0.00 5.85 -0.64 -0.74 115.31 120.72 3jx0 h LEU 630 Ca 0.15 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3jx0 h LEU 630 Cb -0.02 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3jx0 h LEU 630 CO -0.03 0.70 -0.06 0.58 -0.34 0.00 0.00 178.44 179.28 3jx0 h VAL 631 N 0.43 0.79 -0.19 1.05 2.07 -1.24 -2.28 116.25 116.89 3jx0 h VAL 631 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 3jx0 h VAL 631 Cb 0.38 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3jx0 h VAL 631 CO 0.01 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.24 3jx0 h GLU 632 N -0.05 0.02 -0.86 1.57 4.39 -1.24 0.97 114.58 119.38 3jx0 h GLU 632 Ca 0.07 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.89 3jx0 h GLU 632 Cb 0.16 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.73 3jx0 h GLU 632 CO -0.17 0.01 0.48 0.82 -1.16 0.00 0.00 179.01 179.00 3jx0 h ILE 633 N 0.02 0.84 0.00 3.13 2.04 -1.03 -0.29 117.51 122.23 3jx0 h ILE 633 Ca 0.09 -0.26 -0.14 0.00 1.00 0.00 0.00 64.86 65.55 3jx0 h ILE 633 Cb 0.13 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 3jx0 h ILE 633 CO -0.18 0.14 -0.67 0.78 0.00 0.00 0.00 178.15 178.23 3jx0 h ASN 634 N 0.76 0.00 -0.46 1.72 4.21 -0.74 -2.22 115.58 118.85 3jx0 h ASN 634 Ca 0.44 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.85 3jx0 h ASN 634 Cb 0.49 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.67 3jx0 h ASN 634 CO -0.29 0.67 -0.08 0.40 -1.29 0.00 0.00 177.43 176.84 3jx0 h ILE 635 N 0.00 1.26 -0.42 2.81 2.04 0.12 -2.87 117.51 120.46 3jx0 h ILE 635 Ca -0.01 -1.19 -0.11 0.00 1.00 0.00 0.00 64.86 64.55 3jx0 h ILE 635 Cb 1.32 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3jx0 h ILE 635 CO 0.09 0.42 -0.19 0.00 0.00 0.00 0.00 178.15 178.46 3jx0 h ALA 636 N 1.08 0.88 -0.05 1.87 0.00 -0.71 -1.97 119.26 120.34 3jx0 h ALA 636 Ca 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3jx0 h ALA 636 Cb 0.60 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3jx0 h ALA 636 CO 0.04 0.63 0.00 0.28 0.00 0.00 0.00 179.25 180.20 3jx0 h VAL 637 N 0.72 1.23 -0.67 0.00 2.07 -1.38 -1.27 116.25 116.95 3jx0 h VAL 637 Ca 0.10 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 3jx0 h VAL 637 Cb 0.71 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3jx0 h VAL 637 CO 0.05 0.19 0.36 -0.07 0.02 0.00 0.00 177.57 178.12 3jx0 h LEU 638 N -0.18 0.84 -0.76 2.57 3.38 -1.50 -1.80 115.31 117.86 3jx0 h LEU 638 Ca 0.02 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3jx0 h LEU 638 Cb 0.30 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3jx0 h LEU 638 CO 0.00 0.70 0.05 0.22 0.09 0.00 0.00 178.44 179.50 3jx0 h TYR 639 N 0.91 1.06 -0.17 1.13 3.20 -1.30 -1.12 116.97 120.68 3jx0 h TYR 639 Ca 0.23 -0.15 -0.12 0.00 3.14 0.00 0.00 58.73 61.83 3jx0 h TYR 639 Cb 0.06 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.04 3jx0 h TYR 639 CO -0.00 0.92 -0.36 0.77 -1.64 0.00 0.00 178.16 177.85 3jx0 h SER 640 N 0.92 0.61 -0.66 -2.11 0.02 -0.95 0.37 113.55 111.74 3jx0 h SER 640 Ca 0.18 -0.56 -0.07 0.00 -0.84 0.00 0.00 61.79 60.50 3jx0 h SER 640 Cb 0.47 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3jx0 h SER 640 CO 0.02 1.05 0.14 -0.26 -1.14 0.00 0.00 176.83 176.65 3jx0 h PHE 641 N 0.19 1.13 -0.55 3.45 -1.00 -1.30 -2.60 116.94 116.25 3jx0 h PHE 641 Ca 0.00 -0.14 -0.08 0.00 2.81 0.00 0.00 57.97 60.56 3jx0 h PHE 641 Cb 0.96 -0.32 -0.02 0.00 3.61 0.00 0.00 35.95 40.18 3jx0 h PHE 641 CO 0.10 0.94 0.04 1.96 -1.61 0.00 0.00 178.31 179.73 3jx0 h GLN 642 N 0.99 0.94 0.00 1.51 4.20 -1.04 -0.49 115.11 121.23 3jx0 h GLN 642 Ca 0.21 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 3jx0 h GLN 642 Cb 0.39 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3jx0 h GLN 642 CO 0.01 0.94 -0.42 0.77 -0.67 0.00 0.00 178.83 179.45 3jx0 h SER 643 N 0.83 0.00 -0.24 1.46 0.02 -0.85 -2.04 113.55 112.74 3jx0 h SER 643 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3jx0 h SER 643 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3jx0 h SER 643 CO 0.02 0.42 0.00 0.47 -1.14 0.00 0.00 176.83 176.60 3jx0 n ASP 644 N -3.91 2.19 -3.65 3.07 8.00 -0.99 -4.97 116.55 116.29 3jx0 n ASP 644 Ca -0.01 -1.81 -0.26 0.00 0.71 0.00 0.00 54.79 53.41 3jx0 n ASP 644 Cb 0.47 -0.15 0.05 0.00 -0.02 0.00 0.00 41.12 41.46 3jx0 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx0 n LYS 645 N 0.67 -6.35 -3.79 -1.24 4.76 -0.77 -4.99 118.16 106.46 3jx0 n LYS 645 Ca 0.17 0.72 -0.36 0.00 -2.87 0.00 0.00 58.31 55.97 3jx0 n LYS 645 Cb 0.41 -5.67 -0.12 0.00 -1.84 0.00 0.00 35.03 27.81 3jx0 n LYS 645 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3jx0 s VAL 646 N -3.27 4.64 0.04 -0.18 1.01 -0.25 -4.25 120.40 118.14 3jx0 s VAL 646 Ca 0.58 -0.07 -0.36 0.00 0.00 0.00 0.00 61.98 62.13 3jx0 s VAL 646 Cb -0.27 -3.16 -0.15 0.00 0.00 0.00 0.00 36.38 32.79 3jx0 s VAL 646 CO 0.71 0.35 1.51 0.41 0.00 0.00 0.00 175.10 178.08 3jx0 n THR 647 N 4.59 0.09 -3.78 3.92 -1.04 -0.27 -4.37 114.28 113.43 3jx0 n THR 647 Ca -0.16 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.05 61.72 3jx0 n THR 647 Cb 0.52 -1.15 -0.08 0.00 -1.82 0.00 0.00 70.33 67.79 3jx0 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx0 s ILE 648 N 1.34 0.08 -0.06 12.58 2.07 -1.26 -4.40 121.20 131.55 3jx0 s ILE 648 Ca 0.86 -0.63 0.05 0.00 -1.41 0.00 0.00 60.65 59.51 3jx0 s ILE 648 Cb -0.88 -0.76 -0.00 0.00 0.13 0.00 0.00 42.46 40.94 3jx0 s ILE 648 CO 0.48 -0.35 -0.21 0.54 -1.91 0.00 0.00 174.94 173.49 3jx0 s VAL 649 N -1.97 1.76 0.75 4.00 0.11 -0.56 -5.00 120.40 119.48 3jx0 s VAL 649 Ca -0.09 -0.89 -0.11 0.00 -2.93 0.00 0.00 61.98 57.96 3jx0 s VAL 649 Cb -0.03 -1.50 0.04 0.00 -1.53 0.00 0.00 36.38 33.35 3jx0 s VAL 649 CO 0.00 0.49 1.08 1.51 -3.33 0.00 0.00 175.10 174.86 3jx0 s ASP 650 N 0.05 4.94 0.43 3.54 -4.77 -1.26 -0.24 116.67 119.37 3jx0 s ASP 650 Ca -0.07 1.40 0.22 0.00 -3.30 0.00 0.00 52.55 50.80 3jx0 s ASP 650 Cb -0.14 -2.20 0.94 0.00 -1.09 0.00 0.00 42.92 40.43 3jx0 s ASP 650 CO 0.04 -1.69 1.85 1.12 0.70 0.00 0.00 175.17 177.19 3jx0 h HIS 651 N -0.89 0.00 -0.01 2.11 2.07 -1.98 -1.34 115.15 115.11 3jx0 h HIS 651 Ca -0.46 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3jx0 h HIS 651 Cb 1.24 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.22 3jx0 h HIS 651 CO 0.53 0.27 -0.00 0.45 -3.07 0.00 0.00 177.93 176.10 3jx0 h HIS 652 N 0.00 0.02 -0.49 6.12 3.86 -1.96 -2.55 115.15 120.15 3jx0 h HIS 652 Ca -0.00 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 3jx0 h HIS 652 Cb 0.70 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 3jx0 h HIS 652 CO 0.00 0.37 0.05 1.03 0.86 0.00 0.00 177.93 180.24 3jx0 h SER 653 N -0.33 0.81 -0.51 2.45 0.87 -1.92 -1.71 113.55 113.22 3jx0 h SER 653 Ca 0.00 -0.28 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 3jx0 h SER 653 Cb 0.36 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3jx0 h SER 653 CO 0.00 0.89 0.16 0.00 -0.53 0.00 0.00 176.83 177.35 3jx0 h ALA 654 N 0.95 0.66 -0.24 6.23 0.00 -1.31 -1.79 119.26 123.77 3jx0 h ALA 654 Ca 0.15 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 3jx0 h ALA 654 Cb 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3jx0 h ALA 654 CO 0.02 0.32 -0.61 1.79 0.00 0.00 0.00 179.25 180.76 3jx0 h THR 655 N 0.69 1.28 -0.40 0.00 1.35 -1.38 -0.76 112.91 113.69 3jx0 h THR 655 Ca 0.16 -1.81 0.05 0.00 -0.55 0.00 0.00 66.41 64.26 3jx0 h THR 655 Cb 0.27 1.75 -0.05 0.00 -1.73 0.00 0.00 68.15 68.38 3jx0 h THR 655 CO -0.01 0.58 0.13 -0.08 -0.25 0.00 0.00 175.52 175.90 3jx0 h GLU 656 N 0.60 0.28 -0.31 4.72 4.81 -1.31 -1.05 114.58 122.33 3jx0 h GLU 656 Ca -0.00 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 3jx0 h GLU 656 Cb 1.22 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3jx0 h GLU 656 CO 0.13 0.18 -0.22 0.66 -0.73 0.00 0.00 179.01 179.03 3jx0 h SER 657 N 0.28 0.58 -0.61 1.04 4.64 -1.13 -2.59 113.55 115.77 3jx0 h SER 657 Ca 0.19 -0.19 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3jx0 h SER 657 Cb 0.18 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3jx0 h SER 657 CO -0.20 0.80 0.13 0.15 -0.87 0.00 0.00 176.83 176.84 3jx0 h PHE 658 N 0.51 1.07 -0.61 4.77 3.57 -0.83 -0.83 116.94 124.59 3jx0 h PHE 658 Ca 0.08 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.47 3jx0 h PHE 658 Cb 0.67 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3jx0 h PHE 658 CO 0.03 0.89 0.38 0.82 -2.23 0.00 0.00 178.31 178.20 3jx0 h ILE 659 N 0.96 1.10 -0.58 1.41 1.08 -0.86 0.15 117.51 120.78 3jx0 h ILE 659 Ca 0.20 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 3jx0 h ILE 659 Cb 0.38 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 3jx0 h ILE 659 CO 0.01 0.14 0.29 0.50 -0.69 0.00 0.00 178.15 178.40 3jx0 h LYS 660 N 0.77 0.81 -0.14 2.37 3.64 -1.24 -1.55 116.57 121.23 3jx0 h LYS 660 Ca 0.24 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 3jx0 h LYS 660 Cb -0.02 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3jx0 h LYS 660 CO -0.08 0.62 -0.14 1.25 -2.27 0.00 0.00 179.45 178.82 3jx0 h HIS 661 N 0.81 0.42 -0.34 1.91 2.76 -0.39 -1.43 115.15 118.89 3jx0 h HIS 661 Ca 0.20 -0.13 0.07 0.00 -2.20 0.00 0.00 60.37 58.32 3jx0 h HIS 661 Cb 0.06 -0.09 -0.06 0.00 1.55 0.00 0.00 27.41 28.87 3jx0 h HIS 661 CO 0.01 0.74 -0.09 0.52 -1.30 0.00 0.00 177.93 177.81 3jx0 h MET 662 N -0.03 -0.00 -0.74 5.26 2.86 -0.43 0.68 114.93 122.53 3jx0 h MET 662 Ca 0.02 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 3jx0 h MET 662 Cb 0.67 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.27 3jx0 h MET 662 CO 0.04 -0.00 0.41 0.93 1.06 0.00 0.00 176.91 179.35 3jx0 h GLU 663 N -0.00 0.71 0.01 1.72 5.08 -1.24 0.11 114.58 120.97 3jx0 h GLU 663 Ca 0.16 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3jx0 h GLU 663 Cb 0.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3jx0 h GLU 663 CO -0.35 0.47 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.21 3jx0 h ASN 664 N 0.73 -0.01 -0.73 1.42 2.35 -0.43 -2.07 115.58 116.85 3jx0 h ASN 664 Ca 0.34 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.07 3jx0 h ASN 664 Cb 0.27 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 3jx0 h ASN 664 CO -0.22 -0.00 0.35 -0.33 -1.65 0.00 0.00 177.43 175.58 3jx0 h GLU 665 N -0.01 1.05 -0.89 0.81 4.39 -0.27 0.10 114.58 119.77 3jx0 h GLU 665 Ca -0.00 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 3jx0 h GLU 665 Cb 0.01 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.42 3jx0 h GLU 665 CO 0.00 0.82 0.55 1.88 -1.16 0.00 0.00 179.01 181.11 3jx0 h TYR 666 N 1.02 1.16 -0.08 4.33 -1.99 -0.79 0.22 116.97 120.84 3jx0 h TYR 666 Ca 0.25 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.96 3jx0 h TYR 666 Cb 0.12 -0.38 -0.00 0.00 2.00 0.00 0.00 36.73 38.46 3jx0 h TYR 666 CO 0.01 0.76 -0.06 -0.09 -0.00 0.00 0.00 178.16 178.78 3jx0 h ARG 667 N 1.22 0.18 -0.01 4.88 2.43 -0.61 -2.32 114.38 120.16 3jx0 h ARG 667 Ca 0.32 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3jx0 h ARG 667 Cb -0.08 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3jx0 h ARG 667 CO -0.06 0.58 -0.62 0.00 -1.51 0.00 0.00 179.97 178.36 3jx0 n ARG 669 N -0.86 2.01 -0.90 0.00 0.63 0.67 -5.04 116.66 113.18 3jx0 n ARG 669 Ca 0.05 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 3jx0 n ARG 669 Cb 0.31 -0.24 0.00 0.00 0.45 0.00 0.00 32.46 32.98 3jx0 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx0 n GLY 670 N 0.29 0.63 0.00 5.14 0.00 -0.52 -4.57 105.19 106.16 3jx0 n GLY 670 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3jx0 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx0 n GLY 671 N -2.72 0.30 3.08 -0.02 0.00 -1.03 -0.32 105.19 104.49 3jx0 n GLY 671 Ca 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 46.02 44.80 3jx0 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx0 s PRO 673 N 2.71 4.38 -0.17 0.00 0.04 -1.26 -4.61 135.00 136.09 3jx0 s PRO 673 Ca 0.15 2.07 -0.13 0.00 0.04 0.00 0.00 61.00 63.13 3jx0 s PRO 673 Cb -0.15 -3.19 0.05 0.00 0.04 0.00 0.00 34.50 31.25 3jx0 s PRO 673 CO -0.18 -0.27 0.44 0.00 0.04 0.00 0.00 177.00 177.04 3jx0 s ALA 674 N 0.12 -1.12 -0.66 8.56 0.00 -0.53 -4.15 121.76 123.98 3jx0 s ALA 674 Ca 0.57 1.42 -0.08 0.00 0.00 0.00 0.00 51.96 53.87 3jx0 s ALA 674 Cb -0.37 -0.84 0.17 0.00 0.00 0.00 0.00 23.12 22.08 3jx0 s ALA 674 CO 0.38 -0.24 0.54 0.34 0.00 0.00 0.00 175.76 176.78 3jx0 s ASP 675 N 0.77 5.91 0.31 0.00 -1.08 0.85 -3.63 116.67 119.80 3jx0 s ASP 675 Ca -0.04 -2.58 0.07 0.00 -0.52 0.00 0.00 52.55 49.48 3jx0 s ASP 675 Cb -0.05 -2.02 0.85 0.00 -1.46 0.00 0.00 42.92 40.23 3jx0 s ASP 675 CO -0.06 -0.52 1.66 -0.25 0.52 0.00 0.00 175.17 176.53 3jx0 h TRP 676 N 7.64 0.62 -0.82 -5.34 7.01 -1.91 0.22 115.95 123.37 3jx0 h TRP 676 Ca -0.02 0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.10 3jx0 h TRP 676 Cb 1.01 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.89 3jx0 h TRP 676 CO 0.81 -0.16 0.54 0.28 -2.79 0.00 0.00 178.44 177.12 3jx0 h VAL 677 N 0.30 1.02 0.03 2.65 2.07 -1.93 -1.57 116.25 118.82 3jx0 h VAL 677 Ca 0.62 -0.30 -0.30 0.00 0.82 0.00 0.00 66.70 67.54 3jx0 h VAL 677 Cb 1.29 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3jx0 h VAL 677 CO -0.61 0.16 -1.68 -0.50 0.02 0.00 0.00 177.57 174.96 3jx0 h TRP 678 N 0.87 0.10 -0.13 1.57 4.06 -1.28 -3.40 115.95 117.73 3jx0 h TRP 678 Ca 0.36 -0.07 -0.23 0.00 2.06 0.00 0.00 58.89 61.01 3jx0 h TRP 678 Cb 0.28 -0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.45 3jx0 h TRP 678 CO -0.00 1.14 -0.81 0.82 -3.56 0.00 0.00 178.44 176.03 3jx0 h ILE 679 N 0.01 1.28 -2.66 1.49 1.08 -0.17 -3.43 117.51 115.11 3jx0 h ILE 679 Ca -0.28 -2.00 -0.55 0.00 -0.39 0.00 0.00 64.86 61.64 3jx0 h ILE 679 Cb 2.00 2.04 -0.01 0.00 -3.07 0.00 0.00 36.82 37.77 3jx0 h ILE 679 CO 0.09 0.63 1.05 -0.69 -0.69 0.00 0.00 178.15 178.54 3jx0 s VAL 680 N -3.69 3.62 0.78 1.67 1.01 -0.64 -4.91 120.40 118.24 3jx0 s VAL 680 Ca -0.10 0.79 -0.13 0.00 0.00 0.00 0.00 61.98 62.53 3jx0 s VAL 680 Cb 0.08 -3.51 0.07 0.00 0.00 0.00 0.00 36.38 33.02 3jx0 s VAL 680 CO 0.91 -0.06 1.19 -2.84 0.00 0.00 0.00 175.10 174.29 3jx0 s PRO 681 N 3.81 1.86 0.00 2.72 0.02 -1.26 -4.89 135.00 137.25 3jx0 s PRO 681 Ca 0.71 1.68 0.30 0.00 0.02 0.00 0.00 61.00 63.71 3jx0 s PRO 681 Cb -0.33 -1.81 1.73 0.00 0.02 0.00 0.00 34.50 34.12 3jx0 s PRO 681 CO 0.28 -2.03 2.10 -0.35 -0.33 0.00 0.00 177.00 176.67 3jx0 n PRO 682 N -3.15 0.85 -4.22 5.54 -0.04 -1.26 -4.22 135.00 128.51 3jx0 n PRO 682 Ca 0.13 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.43 3jx0 n PRO 682 Cb 0.51 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 3jx0 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx0 s MET 683 N -2.09 0.97 -1.31 0.54 0.23 -1.26 -4.91 119.30 111.48 3jx0 s MET 683 Ca 0.42 -1.24 -0.10 0.00 -1.03 0.00 0.00 55.69 53.74 3jx0 s MET 683 Cb 0.20 -0.74 0.08 0.00 -1.53 0.00 0.00 34.83 32.84 3jx0 s MET 683 CO 0.36 0.13 0.51 0.43 -2.03 0.00 0.00 175.02 174.42 3jx0 n SER 684 N 0.44 -3.73 -0.38 -1.18 7.64 -1.26 -4.85 113.62 110.30 3jx0 n SER 684 Ca -0.15 -0.43 -0.07 0.00 1.01 0.00 0.00 58.87 59.23 3jx0 n SER 684 Cb 0.58 -3.08 -0.05 0.00 -1.01 0.00 0.00 64.21 60.65 3jx0 n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jx0 n GLY 685 N -1.20 -2.26 0.00 0.23 0.00 -1.26 -1.91 105.19 98.79 3jx0 n GLY 685 Ca -0.01 1.09 0.14 0.00 0.00 0.00 0.00 46.02 47.24 3jx0 n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx0 n SER 686 N -5.24 0.00 -0.78 1.61 3.41 -1.26 -2.19 113.62 109.16 3jx0 n SER 686 Ca 0.04 0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 3jx0 n SER 686 Cb 0.29 -0.33 0.29 0.00 -0.26 0.00 0.00 64.21 64.20 3jx0 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx0 n ILE 687 N -1.33 0.11 -3.96 -1.33 -5.35 -0.80 -4.83 119.36 101.87 3jx0 n ILE 687 Ca 0.12 -0.44 -0.34 0.00 -0.27 0.00 0.00 62.75 61.82 3jx0 n ILE 687 Cb 0.24 0.95 -0.06 0.00 -1.74 0.00 0.00 39.64 39.04 3jx0 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx0 s THR 688 N -1.89 5.26 0.15 7.28 -4.23 -0.93 -5.02 115.64 116.26 3jx0 s THR 688 Ca 0.33 -0.15 0.35 0.00 -1.18 0.00 0.00 61.69 61.04 3jx0 s THR 688 Cb 0.20 -3.41 0.39 0.00 1.34 0.00 0.00 72.50 71.03 3jx0 s THR 688 CO 0.31 0.39 2.02 1.55 -0.54 0.00 0.00 174.62 178.35 3jx0 h PRO 689 N 4.13 0.00 0.00 3.99 0.13 -1.87 -2.82 132.00 135.55 3jx0 h PRO 689 Ca -0.50 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 3jx0 h PRO 689 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3jx0 h PRO 689 CO 0.65 0.00 -0.31 -0.39 -0.23 0.00 0.00 178.00 177.72 3jx0 h VAL 690 N 0.00 0.87 -0.98 1.56 -1.51 -1.88 -2.57 116.25 111.73 3jx0 h VAL 690 Ca 0.00 -1.22 0.08 0.00 -1.23 0.00 0.00 66.70 64.33 3jx0 h VAL 690 Cb 0.44 1.74 -0.07 0.00 -2.13 0.00 0.00 31.29 31.27 3jx0 h VAL 690 CO 0.00 0.30 0.63 0.15 -1.23 0.00 0.00 177.57 177.42 3jx0 h PHE 691 N 0.00 1.15 -0.26 5.19 3.57 -1.69 -2.34 116.94 122.56 3jx0 h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3jx0 h PHE 691 Cb 0.71 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3jx0 h PHE 691 CO 0.00 0.55 0.00 0.72 -2.23 0.00 0.00 178.31 177.35 3jx0 n HIS 692 N -4.53 0.34 -3.69 0.41 8.25 -0.97 -4.83 115.22 110.19 3jx0 n HIS 692 Ca 0.16 -0.17 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 3jx0 n HIS 692 Cb 0.25 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.24 3jx0 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx0 s GLN 693 N -1.66 3.36 0.40 -0.41 2.00 -0.88 -0.60 119.66 121.86 3jx0 s GLN 693 Ca 0.29 -0.69 -0.27 0.00 -2.00 0.00 0.00 55.36 52.69 3jx0 s GLN 693 Cb 0.16 -3.49 -0.09 0.00 0.80 0.00 0.00 33.01 30.38 3jx0 s GLN 693 CO 0.22 -0.38 1.33 -1.21 -0.50 0.00 0.00 175.29 174.76 3jx0 s GLU 694 N 1.60 4.01 0.02 1.67 2.02 -0.36 -4.99 118.70 122.66 3jx0 s GLU 694 Ca 0.05 2.23 0.01 0.00 0.02 0.00 0.00 54.97 57.28 3jx0 s GLU 694 Cb -0.17 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 3jx0 s GLU 694 CO 0.05 -0.48 -0.05 -1.64 0.02 0.00 0.00 175.26 173.16 3jx0 s MET 695 N -2.18 0.39 -0.16 1.61 -1.94 -1.26 -4.60 119.30 111.16 3jx0 s MET 695 Ca 0.56 -0.49 -0.05 0.00 -1.71 0.00 0.00 55.69 53.99 3jx0 s MET 695 Cb -0.40 -0.20 -0.03 0.00 2.01 0.00 0.00 34.83 36.21 3jx0 s MET 695 CO 0.52 0.04 0.00 -0.51 -0.01 0.00 0.00 175.02 175.06 3jx0 s LEU 696 N -1.00 3.50 -0.20 -0.03 1.43 -1.26 -4.91 118.68 116.20 3jx0 s LEU 696 Ca -0.07 -0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 52.93 3jx0 s LEU 696 Cb -0.07 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3jx0 s LEU 696 CO -0.00 0.18 0.06 0.21 0.23 0.00 0.00 176.35 177.03 3jx0 s ASN 697 N 0.32 5.41 0.16 2.29 3.04 -1.24 -1.45 114.94 123.47 3jx0 s ASN 697 Ca -0.01 -0.03 -0.20 0.00 0.04 0.00 0.00 52.86 52.67 3jx0 s ASN 697 Cb -0.13 -1.94 0.05 0.00 -1.54 0.00 0.00 41.25 37.68 3jx0 s ASN 697 CO 0.02 0.10 0.53 -0.72 -3.04 0.00 0.00 177.10 173.99 3jx0 s TYR 698 N 0.80 -0.33 -0.32 0.43 -0.85 -1.26 -4.97 117.35 110.84 3jx0 s TYR 698 Ca 0.03 0.05 -0.07 0.00 -0.52 0.00 0.00 57.07 56.56 3jx0 s TYR 698 Cb -0.14 0.44 0.03 0.00 0.38 0.00 0.00 41.96 42.67 3jx0 s TYR 698 CO 0.02 -0.84 0.10 1.03 -1.52 0.00 0.00 175.55 174.35 3jx0 s ARG 699 N -3.80 2.83 0.22 -3.49 0.52 -1.26 -4.82 118.95 109.15 3jx0 s ARG 699 Ca 0.04 -1.04 0.06 0.00 -0.52 0.00 0.00 55.73 54.27 3jx0 s ARG 699 Cb -0.00 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 3jx0 s ARG 699 CO -0.10 -0.58 0.17 -0.51 0.02 0.00 0.00 175.30 174.30 3jx0 s LEU 700 N 1.46 3.78 0.04 2.53 1.43 -1.26 -3.27 118.68 123.38 3jx0 s LEU 700 Ca 0.00 -0.23 0.09 0.00 -1.03 0.00 0.00 54.13 52.97 3jx0 s LEU 700 Cb -0.19 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3jx0 s LEU 700 CO 0.03 0.00 -0.25 0.28 0.23 0.00 0.00 176.35 176.64 3jx0 s THR 701 N -2.00 2.03 0.89 5.49 -1.32 -1.26 -4.33 115.64 115.13 3jx0 s THR 701 Ca 0.32 -1.33 -0.10 0.00 -1.21 0.00 0.00 61.69 59.37 3jx0 s THR 701 Cb -0.09 -1.74 0.13 0.00 -1.51 0.00 0.00 72.50 69.30 3jx0 s THR 701 CO 0.24 0.35 1.15 -2.84 -2.21 0.00 0.00 174.62 171.31 3jx0 s PRO 702 N -1.18 1.22 -0.10 7.08 0.02 -1.26 -5.03 135.00 135.75 3jx0 s PRO 702 Ca 0.11 1.52 -0.17 0.00 0.02 0.00 0.00 61.00 62.48 3jx0 s PRO 702 Cb -0.10 -1.75 0.04 0.00 0.02 0.00 0.00 34.50 32.71 3jx0 s PRO 702 CO 0.02 -2.48 0.43 0.45 -0.33 0.00 0.00 177.00 175.09 3jx0 s SER 703 N -2.71 -0.40 -0.15 2.53 0.15 -0.72 -3.94 113.70 108.46 3jx0 s SER 703 Ca 0.67 0.61 -0.11 0.00 0.70 0.00 0.00 55.95 57.82 3jx0 s SER 703 Cb -0.23 0.67 -0.05 0.00 -1.71 0.00 0.00 66.02 64.71 3jx0 s SER 703 CO 0.57 -0.31 0.21 -0.36 1.20 0.00 0.00 173.24 174.56 3jx0 s PHE 704 N -0.45 3.49 0.14 3.44 0.40 -1.26 -0.49 117.98 123.25 3jx0 s PHE 704 Ca -0.06 0.52 0.06 0.00 -0.60 0.00 0.00 56.93 56.85 3jx0 s PHE 704 Cb -0.03 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 3jx0 s PHE 704 CO 0.03 0.39 -0.13 -1.21 0.70 0.00 0.00 175.22 175.00 3jx0 s GLU 705 N 0.01 1.08 0.69 0.44 0.41 0.25 -4.94 118.70 116.64 3jx0 s GLU 705 Ca 0.14 -1.34 -0.11 0.00 -0.41 0.00 0.00 54.97 53.25 3jx0 s GLU 705 Cb -0.12 -0.87 0.01 0.00 -1.78 0.00 0.00 34.13 31.37 3jx0 s GLU 705 CO 0.02 0.15 1.07 0.71 -0.49 0.00 0.00 175.26 176.72 3jx0 s TYR 706 N -2.53 3.31 0.06 1.61 1.51 -1.26 -0.40 117.35 119.65 3jx0 s TYR 706 Ca 0.13 0.98 -0.14 0.00 -1.01 0.00 0.00 57.07 57.03 3jx0 s TYR 706 Cb -0.03 -3.02 0.02 0.00 -0.11 0.00 0.00 41.96 38.83 3jx0 s TYR 706 CO 0.03 -1.12 0.31 1.14 -1.11 0.00 0.00 175.55 174.80 3jx0 s GLN 707 N -5.30 0.86 0.28 -0.62 -2.07 -1.26 -4.74 119.66 106.80 3jx0 s GLN 707 Ca 0.57 -0.57 -0.29 0.00 -1.82 0.00 0.00 55.36 53.25 3jx0 s GLN 707 Cb -0.11 0.37 -0.10 0.00 -1.09 0.00 0.00 33.01 32.09 3jx0 s GLN 707 CO 0.51 -0.29 1.20 -1.25 -1.32 0.00 0.00 175.29 174.14 3jx0 s PRO 708 N -2.86 4.50 0.02 9.60 0.04 -1.26 -4.92 135.00 140.12 3jx0 s PRO 708 Ca -0.03 1.99 -0.39 0.00 0.04 0.00 0.00 61.00 62.61 3jx0 s PRO 708 Cb 0.00 -3.15 -0.19 0.00 0.04 0.00 0.00 34.50 31.20 3jx0 s PRO 708 CO -0.05 -0.01 1.20 -0.25 0.04 0.00 0.00 177.00 177.93 3jx0 n ASP 709 N 1.31 0.73 0.27 6.66 8.00 -1.26 -4.83 116.55 127.43 3jx0 n ASP 709 Ca 0.00 1.14 0.17 0.00 0.71 0.00 0.00 54.79 56.82 3jx0 n ASP 709 Cb 0.43 -1.03 0.70 0.00 -0.02 0.00 0.00 41.12 41.21 3jx0 n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3jx0 h PRO 710 N 3.75 0.00 -0.19 -0.24 0.13 -1.91 -2.84 132.00 130.69 3jx0 h PRO 710 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 3jx0 h PRO 710 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 3jx0 h PRO 710 CO 0.71 0.00 -0.30 0.11 -0.23 0.00 0.00 178.00 178.29 3jx0 h TRP 711 N 0.00 0.42 0.00 1.56 0.09 -1.90 1.23 115.95 117.35 3jx0 h TRP 711 Ca 0.00 -0.09 -0.04 0.00 0.09 0.00 0.00 58.89 58.85 3jx0 h TRP 711 Cb 0.47 -0.10 -0.01 0.00 0.08 0.00 0.00 29.16 29.60 3jx0 h TRP 711 CO 0.00 0.64 -0.18 -0.91 0.09 0.00 0.00 178.44 178.08 3jx0 h ASN 712 N 0.33 0.00 0.00 0.11 2.35 -1.87 -3.35 115.58 113.15 3jx0 h ASN 712 Ca 0.04 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 3jx0 h ASN 712 Cb 0.70 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 3jx0 h ASN 712 CO 0.05 0.18 -1.12 0.41 -1.65 0.00 0.00 177.43 175.30 3jx0 n THR 713 N -4.06 1.48 -1.74 2.81 -1.04 -0.65 -5.00 114.28 106.08 3jx0 n THR 713 Ca -0.02 0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.63 3jx0 n THR 713 Cb 0.26 -2.25 -0.01 0.00 -1.82 0.00 0.00 70.33 66.51 3jx0 n THR 713 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3jx0 n HIS 714 N -4.47 2.78 -4.15 -1.42 -0.00 0.41 -5.01 115.22 103.36 3jx0 n HIS 714 Ca -0.21 0.34 -0.35 0.00 -0.00 0.00 0.00 57.72 57.51 3jx0 n HIS 714 Cb 0.52 -2.55 -0.09 0.00 -0.00 0.00 0.00 29.99 27.86 3jx0 n HIS 714 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3jx0 s VAL 715 N -0.38 4.66 -2.02 3.57 -7.23 -1.26 -4.89 120.40 112.85 3jx0 s VAL 715 Ca 0.61 -0.10 0.32 0.00 -1.81 0.00 0.00 61.98 61.00 3jx0 s VAL 715 Cb -0.51 -3.03 0.90 0.00 0.56 0.00 0.00 36.38 34.29 3jx0 s VAL 715 CO 0.54 0.54 2.21 0.79 -0.31 0.00 0.00 175.10 178.87