#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx1 s PHE 300 N 0.00 2.82 0.03 -0.14 0.40 -1.26 -4.82 117.98 115.00 3jx1 s PHE 300 Ca 0.00 -0.45 0.08 0.00 -0.60 0.00 0.00 56.93 55.95 3jx1 s PHE 300 Cb 0.00 -1.80 -0.02 0.00 0.51 0.00 0.00 43.02 41.71 3jx1 s PHE 300 CO 0.00 -0.06 -0.22 -0.51 0.70 0.00 0.00 175.22 175.12 3jx1 s LEU 301 N 0.02 2.13 0.01 -0.37 1.43 -0.99 -4.95 118.68 115.95 3jx1 s LEU 301 Ca -0.04 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3jx1 s LEU 301 Cb -0.14 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 3jx1 s LEU 301 CO 0.04 0.22 0.14 -0.54 0.23 0.00 0.00 176.35 176.43 3jx1 s LYS 302 N -1.00 3.25 -0.08 1.70 1.02 -1.26 0.11 119.74 123.48 3jx1 s LYS 302 Ca 0.09 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.67 3jx1 s LYS 302 Cb -0.09 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.27 3jx1 s LYS 302 CO 0.01 0.65 -0.12 0.08 -0.92 0.00 0.00 175.35 175.06 3jx1 s VAL 303 N -1.29 1.14 -0.06 3.17 1.01 0.61 -4.95 120.40 120.03 3jx1 s VAL 303 Ca 0.26 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3jx1 s VAL 303 Cb -0.12 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3jx1 s VAL 303 CO 0.18 0.36 -0.15 -0.75 0.00 0.00 0.00 175.10 174.74 3jx1 s LYS 304 N 0.89 2.60 -0.24 2.72 2.20 -1.26 -0.71 119.74 125.94 3jx1 s LYS 304 Ca -0.10 -0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 54.67 3jx1 s LYS 304 Cb -0.15 -2.38 -0.05 0.00 -1.51 0.00 0.00 37.83 33.74 3jx1 s LYS 304 CO 0.01 0.56 0.23 1.21 -0.36 0.00 0.00 175.35 177.00 3jx1 s ASN 305 N -0.56 6.18 0.10 1.43 3.84 -0.06 -1.62 114.94 124.25 3jx1 s ASN 305 Ca 0.08 0.19 0.25 0.00 0.21 0.00 0.00 52.86 53.60 3jx1 s ASN 305 Cb -0.11 -2.14 0.59 0.00 -0.55 0.00 0.00 41.25 39.03 3jx1 s ASN 305 CO 0.01 -0.00 1.51 0.79 -2.79 0.00 0.00 177.10 176.62 3jx1 n TRP 306 N 4.51 0.46 0.04 0.43 7.02 -0.07 -0.64 117.44 129.19 3jx1 n TRP 306 Ca -0.13 0.13 -0.17 0.00 -1.02 0.00 0.00 57.50 56.32 3jx1 n TRP 306 Cb 0.52 -0.62 -0.14 0.00 -2.42 0.00 0.00 31.31 28.64 3jx1 n TRP 306 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3jx1 h GLU 307 N 0.00 0.22 -0.00 -0.99 4.81 -1.94 -3.40 114.58 113.27 3jx1 h GLU 307 Ca 0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3jx1 h GLU 307 Cb 0.67 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3jx1 h GLU 307 CO 0.00 1.04 -0.29 0.25 -0.73 0.00 0.00 179.01 179.28 3jx1 n THR 308 N -3.40 0.00 -0.62 0.32 -2.24 -1.23 -4.99 114.28 102.12 3jx1 n THR 308 Ca -0.20 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3jx1 n THR 308 Cb 1.05 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 70.34 3jx1 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx1 n ASP 309 N -0.66 -0.00 -4.71 3.42 8.00 0.19 -4.97 116.55 117.83 3jx1 n ASP 309 Ca 0.03 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 3jx1 n ASP 309 Cb 0.18 -1.88 -0.03 0.00 -0.02 0.00 0.00 41.12 39.36 3jx1 n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jx1 s VAL 310 N -1.74 2.64 -0.14 2.53 1.01 -1.23 -4.73 120.40 118.74 3jx1 s VAL 310 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3jx1 s VAL 310 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 3jx1 s VAL 310 CO 0.00 0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.27 3jx1 s VAL 311 N 1.86 2.76 0.09 2.92 1.01 -1.26 -0.89 120.40 126.89 3jx1 s VAL 311 Ca 0.74 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 62.06 3jx1 s VAL 311 Cb -0.44 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3jx1 s VAL 311 CO 0.32 0.52 -0.24 -0.76 0.00 0.00 0.00 175.10 174.95 3jx1 s LEU 312 N 0.60 2.39 -0.19 3.92 1.43 0.11 -4.95 118.68 121.99 3jx1 s LEU 312 Ca -0.09 -0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 52.34 3jx1 s LEU 312 Cb -0.16 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 3jx1 s LEU 312 CO 0.03 0.22 0.03 -0.89 0.23 0.00 0.00 176.35 175.97 3jx1 s THR 313 N -0.97 4.39 -0.27 5.49 2.01 -1.26 -0.28 115.64 124.75 3jx1 s THR 313 Ca 0.14 -0.17 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 3jx1 s THR 313 Cb -0.10 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 3jx1 s THR 313 CO 0.05 0.45 0.18 -0.62 -0.69 0.00 0.00 174.62 173.99 3jx1 s ASP 314 N 0.59 5.99 -0.00 3.53 -1.08 0.31 -4.63 116.67 121.38 3jx1 s ASP 314 Ca 0.01 0.01 0.04 0.00 -0.52 0.00 0.00 52.55 52.09 3jx1 s ASP 314 Cb -0.13 -2.11 -0.06 0.00 -1.46 0.00 0.00 42.92 39.16 3jx1 s ASP 314 CO 0.02 -0.02 0.13 0.35 0.52 0.00 0.00 175.17 176.17 3jx1 n THR 315 N 4.88 0.00 0.24 1.71 -2.24 0.41 -2.35 114.28 116.92 3jx1 n THR 315 Ca -0.14 -0.21 0.10 0.00 -2.27 0.00 0.00 64.05 61.53 3jx1 n THR 315 Cb 0.52 0.61 0.60 0.00 -2.10 0.00 0.00 70.33 69.96 3jx1 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx1 h LEU 316 N 0.00 0.00 -1.98 3.22 6.46 -1.67 -2.89 115.31 118.44 3jx1 h LEU 316 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 3jx1 h LEU 316 Cb 0.17 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 3jx1 h LEU 316 CO 0.00 0.19 -0.11 1.12 -0.62 0.00 0.00 178.44 179.03 3jx1 h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.85 -0.85 115.15 115.77 3jx1 h HIS 317 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jx1 h HIS 317 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 3jx1 h HIS 317 CO 0.00 0.11 0.00 1.28 -3.07 0.00 0.00 177.93 176.25 3jx1 n LEU 318 N -3.77 0.00 -0.94 6.12 4.77 -1.09 -1.56 117.00 120.52 3jx1 n LEU 318 Ca -0.02 0.46 0.12 0.00 -0.03 0.00 0.00 56.01 56.53 3jx1 n LEU 318 Cb 0.21 -0.46 0.26 0.00 -2.33 0.00 0.00 43.42 41.10 3jx1 n LEU 318 CO 0.30 -0.25 0.72 0.29 -1.33 0.00 0.00 177.39 177.12 3jx1 n LYS 319 N -1.46 2.24 -1.74 3.23 5.02 -0.32 -4.95 118.16 120.19 3jx1 n LYS 319 Ca 0.04 -1.87 -0.31 0.00 -2.02 0.00 0.00 58.31 54.14 3jx1 n LYS 319 Cb 0.15 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.72 3jx1 n LYS 319 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3jx1 s SER 320 N -1.57 5.62 0.02 4.39 1.04 -0.60 -4.89 113.70 117.70 3jx1 s SER 320 Ca 0.36 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.42 3jx1 s SER 320 Cb 0.21 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.83 3jx1 s SER 320 CO 0.30 -1.28 0.00 0.41 0.98 0.00 0.00 173.24 173.65 3jx1 n THR 321 N -2.80 0.03 -1.15 2.02 -1.04 -1.24 -5.06 114.28 105.05 3jx1 n THR 321 Ca 0.08 0.01 -0.34 0.00 -2.04 0.00 0.00 64.05 61.75 3jx1 n THR 321 Cb 0.53 -0.77 0.11 0.00 -1.82 0.00 0.00 70.33 68.39 3jx1 n THR 321 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3jx1 n LEU 322 N -2.72 3.11 -4.84 -4.42 4.77 -1.26 -5.00 117.00 106.64 3jx1 n LEU 322 Ca 0.00 0.57 -0.35 0.00 -0.03 0.00 0.00 56.01 56.21 3jx1 n LEU 322 Cb 0.12 -1.41 -0.06 0.00 -2.33 0.00 0.00 43.42 39.75 3jx1 n LEU 322 CO 0.00 -2.22 0.29 -1.61 -1.33 0.00 0.00 177.39 172.52 3jx1 s GLU 323 N -3.67 4.01 0.13 3.23 2.02 -1.26 -4.60 118.70 118.55 3jx1 s GLU 323 Ca 0.70 0.55 0.11 0.00 0.02 0.00 0.00 54.97 56.36 3jx1 s GLU 323 Cb -0.30 -2.82 -0.14 0.00 0.10 0.00 0.00 34.13 30.97 3jx1 s GLU 323 CO 0.54 0.40 1.17 1.79 0.02 0.00 0.00 175.26 179.18 3jx1 h THR 324 N 2.57 1.24 0.00 3.63 1.35 -1.96 -3.48 112.91 116.26 3jx1 h THR 324 Ca -0.48 -2.86 0.00 0.00 -0.55 0.00 0.00 66.41 62.52 3jx1 h THR 324 Cb 1.19 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.20 3jx1 h THR 324 CO 0.66 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 177.25 3jx1 n GLY 325 N 1.36 2.34 3.87 5.82 0.00 -1.26 -4.80 105.19 112.51 3jx1 n GLY 325 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3jx1 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx1 n THR 327 N -1.61 0.00 0.29 0.00 -2.24 -0.00 -5.00 114.28 105.72 3jx1 n THR 327 Ca 0.04 -2.27 0.18 0.00 -2.27 0.00 0.00 64.05 59.72 3jx1 n THR 327 Cb 0.54 0.70 0.86 0.00 -2.10 0.00 0.00 70.33 70.33 3jx1 n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3jx1 h GLU 328 N 0.00 0.00 0.00 -0.78 3.07 -2.05 -3.17 114.58 111.65 3jx1 h GLU 328 Ca -0.34 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.45 3jx1 h GLU 328 Cb 1.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 3jx1 h GLU 328 CO 0.54 0.04 -1.98 0.72 -1.40 0.00 0.00 179.01 176.93 3jx1 n HIS 329 N -3.24 0.00 -3.74 4.33 8.25 -1.26 -4.99 115.22 114.57 3jx1 n HIS 329 Ca -0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.30 3jx1 n HIS 329 Cb 0.22 -0.55 -0.15 0.00 1.12 0.00 0.00 29.99 30.62 3jx1 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jx1 s ILE 330 N -3.15 -0.08 -0.26 1.59 2.07 -1.20 -5.12 121.20 115.05 3jx1 s ILE 330 Ca -0.08 0.22 -0.13 0.00 -1.41 0.00 0.00 60.65 59.26 3jx1 s ILE 330 Cb 0.11 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.44 3jx1 s ILE 330 CO 0.80 0.09 0.27 0.00 -1.91 0.00 0.00 174.94 174.19 3jx1 n MET 332 N 4.90 2.77 0.08 0.00 0.00 -1.26 -4.73 117.12 118.88 3jx1 n MET 332 Ca -0.12 -3.05 0.20 0.00 0.00 0.00 0.00 57.70 54.73 3jx1 n MET 332 Cb 0.51 -2.00 0.75 0.00 0.00 0.00 0.00 33.22 32.48 3jx1 n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jx1 h GLY 333 N 1.73 0.00 -2.23 3.03 0.00 -1.94 -1.71 103.07 101.95 3jx1 h GLY 333 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3jx1 h GLY 333 CO 0.56 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.96 3jx1 n SER 334 N -3.82 3.49 -4.71 0.19 3.41 -1.26 -4.87 113.62 106.04 3jx1 n SER 334 Ca 0.07 -1.97 -0.40 0.00 -0.26 0.00 0.00 58.87 56.31 3jx1 n SER 334 Cb 0.59 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 3jx1 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx1 s ILE 335 N -1.22 5.02 0.17 -1.33 -1.09 -0.65 -4.97 121.20 117.12 3jx1 s ILE 335 Ca 0.39 1.51 -0.09 0.00 -2.23 0.00 0.00 60.65 60.23 3jx1 s ILE 335 Cb 0.22 -4.07 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 3jx1 s ILE 335 CO 0.29 0.22 1.56 0.24 -1.23 0.00 0.00 174.94 176.02 3jx1 h MET 336 N 6.84 0.98 -3.28 2.79 2.86 -1.91 -3.36 114.93 119.83 3jx1 h MET 336 Ca -0.40 -0.41 -0.63 0.00 -2.06 0.00 0.00 59.70 56.20 3jx1 h MET 336 Cb 1.19 -0.04 -0.41 0.00 0.06 0.00 0.00 31.60 32.40 3jx1 h MET 336 CO 0.76 1.08 -0.62 -0.51 1.06 0.00 0.00 176.91 178.69 3jx1 s LEU 337 N -9.06 4.41 0.06 1.22 1.43 -1.26 -5.12 118.68 110.35 3jx1 s LEU 337 Ca -0.11 -3.25 0.01 0.00 -1.03 0.00 0.00 54.13 49.75 3jx1 s LEU 337 Cb 0.12 -1.62 -0.25 0.00 0.03 0.00 0.00 46.19 44.47 3jx1 s LEU 337 CO 0.87 -0.19 1.08 1.55 0.23 0.00 0.00 176.35 179.89 3jx1 h PRO 338 N 6.18 0.15 0.00 1.29 0.14 -1.87 -3.53 132.00 134.36 3jx1 h PRO 338 Ca -0.01 -0.26 0.00 0.00 0.14 0.00 0.00 66.00 65.87 3jx1 h PRO 338 Cb 0.85 0.10 0.00 0.00 0.14 0.00 0.00 31.00 32.09 3jx1 h PRO 338 CO 0.69 1.06 0.00 2.41 0.14 0.00 0.00 178.00 182.30 3jx1 n THR 350 N -3.41 0.00 -0.27 1.56 -1.04 -1.26 -4.86 114.28 105.00 3jx1 n THR 350 Ca -0.08 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.98 3jx1 n THR 350 Cb 1.00 0.00 0.28 0.00 -1.82 0.00 0.00 70.33 69.79 3jx1 n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3jx1 h LYS 351 N 0.00 0.90 0.00 -2.82 1.57 -1.96 -0.43 116.57 113.82 3jx1 h LYS 351 Ca 0.00 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3jx1 h LYS 351 Cb 0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3jx1 h LYS 351 CO 0.00 0.60 -0.45 -0.44 -0.57 0.00 0.00 179.45 178.58 3jx1 h ASP 352 N 0.93 0.00 0.74 0.86 3.45 -2.00 -3.22 116.42 117.17 3jx1 h ASP 352 Ca 0.37 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.58 3jx1 h ASP 352 Cb 0.26 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.99 3jx1 h ASP 352 CO -0.14 0.45 -1.37 1.56 -1.57 0.00 0.00 179.24 178.17 3jx1 h GLN 353 N 0.00 0.00 0.11 3.56 4.20 -1.87 -3.40 115.11 117.72 3jx1 h GLN 353 Ca -0.00 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.46 3jx1 h GLN 353 Cb 1.11 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.91 3jx1 h GLN 353 CO 0.06 0.71 -1.01 1.25 -0.67 0.00 0.00 178.83 179.17 3jx1 h LEU 354 N 0.00 0.69 -0.95 1.46 5.85 -1.11 -3.31 115.31 117.94 3jx1 h LEU 354 Ca -0.16 -0.86 -0.08 0.00 0.84 0.00 0.00 57.88 57.63 3jx1 h LEU 354 Cb 1.89 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 3jx1 h LEU 354 CO 0.10 1.48 -0.11 0.15 -0.34 0.00 0.00 178.44 179.72 3jx1 h PHE 355 N 0.00 0.69 -0.89 1.25 3.57 -1.76 0.97 116.94 120.78 3jx1 h PHE 355 Ca -0.16 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 3jx1 h PHE 355 Cb 1.74 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 40.25 3jx1 h PHE 355 CO 0.15 0.72 0.50 -1.35 -2.23 0.00 0.00 178.31 176.10 3jx1 h PRO 356 N 0.59 1.23 -0.21 6.41 0.11 -1.77 -0.61 132.00 137.74 3jx1 h PRO 356 Ca 0.10 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3jx1 h PRO 356 Cb 0.53 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3jx1 h PRO 356 CO 0.03 0.89 0.09 -0.07 -0.21 0.00 0.00 178.00 178.73 3jx1 h LEU 357 N 1.24 0.28 -0.03 2.35 3.38 -1.46 -1.13 115.31 119.93 3jx1 h LEU 357 Ca 0.31 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.15 3jx1 h LEU 357 Cb 0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3jx1 h LEU 357 CO -0.05 0.35 -0.08 0.00 0.09 0.00 0.00 178.44 178.75 3jx1 h ALA 358 N 0.94 -0.06 -0.30 1.53 0.00 -0.66 -2.07 119.26 118.63 3jx1 h ALA 358 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3jx1 h ALA 358 Cb 0.15 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3jx1 h ALA 358 CO -0.01 -0.57 0.06 -0.22 0.00 0.00 0.00 179.25 178.52 3jx1 h LYS 359 N -0.13 0.16 -0.31 0.00 3.64 -1.04 -0.01 116.57 118.89 3jx1 h LYS 359 Ca 0.04 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3jx1 h LYS 359 Cb 0.19 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3jx1 h LYS 359 CO -0.11 0.11 0.08 1.49 -2.27 0.00 0.00 179.45 178.75 3jx1 h GLU 360 N 0.17 0.20 -0.23 1.90 4.81 -1.03 -0.10 114.58 120.29 3jx1 h GLU 360 Ca 0.14 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3jx1 h GLU 360 Cb 0.15 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3jx1 h GLU 360 CO -0.18 0.13 0.09 0.35 -0.73 0.00 0.00 179.01 178.66 3jx1 h PHE 361 N 0.20 0.35 -0.17 0.92 3.57 -0.92 -2.70 116.94 118.20 3jx1 h PHE 361 Ca 0.14 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 3jx1 h PHE 361 Cb 0.13 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3jx1 h PHE 361 CO -0.16 0.38 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.02 3jx1 h LEU 362 N 0.21 0.28 -0.24 0.59 3.38 -0.73 0.09 115.31 118.90 3jx1 h LEU 362 Ca 0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3jx1 h LEU 362 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3jx1 h LEU 362 CO -0.01 0.52 0.10 0.44 0.09 0.00 0.00 178.44 179.58 3jx1 h ASP 363 N 0.27 0.32 -0.21 -0.43 3.32 -0.93 -0.29 116.42 118.48 3jx1 h ASP 363 Ca 0.05 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.81 3jx1 h ASP 363 Cb 0.54 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3jx1 h ASP 363 CO 0.04 0.39 -0.32 0.06 -1.72 0.00 0.00 179.24 177.69 3jx1 h GLN 364 N 0.24 0.71 -0.26 3.56 3.07 -1.09 -0.93 115.11 120.41 3jx1 h GLN 364 Ca 0.08 -0.33 0.03 0.00 0.09 0.00 0.00 58.65 58.52 3jx1 h GLN 364 Cb 0.16 -0.01 -0.03 0.00 0.08 0.00 0.00 27.48 27.68 3jx1 h GLN 364 CO -0.01 0.94 0.06 -0.92 0.09 0.00 0.00 178.83 178.99 3jx1 h TYR 365 N 0.60 0.11 0.00 0.06 3.20 -0.82 0.02 116.97 120.14 3jx1 h TYR 365 Ca 0.07 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 3jx1 h TYR 365 Cb 0.84 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 3jx1 h TYR 365 CO 0.04 0.04 -0.34 1.88 -1.64 0.00 0.00 178.16 178.14 3jx1 h TYR 366 N 0.17 0.00 -0.34 -3.82 -1.99 -0.90 -2.30 116.97 107.79 3jx1 h TYR 366 Ca 0.12 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.73 3jx1 h TYR 366 Cb 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 3jx1 h TYR 366 CO -0.15 0.34 -0.23 1.03 -0.00 0.00 0.00 178.16 179.15 3jx1 h SER 367 N 0.00 0.79 -0.76 3.88 0.87 -0.80 0.51 113.55 118.04 3jx1 h SER 367 Ca -0.00 -0.43 -0.03 0.00 -1.23 0.00 0.00 61.79 60.10 3jx1 h SER 367 Cb 0.83 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.53 3jx1 h SER 367 CO 0.04 1.05 0.38 0.77 -0.53 0.00 0.00 176.83 178.55 3jx1 h SER 368 N 0.53 1.00 -0.37 6.23 4.64 -0.58 -1.87 113.55 123.12 3jx1 h SER 368 Ca 0.07 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3jx1 h SER 368 Cb 0.79 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3jx1 h SER 368 CO 0.06 0.83 0.00 2.30 -0.87 0.00 0.00 176.83 179.16 3jx1 n ILE 369 N -4.32 0.50 -3.64 0.95 -5.35 -0.90 -4.92 119.36 101.67 3jx1 n ILE 369 Ca 0.08 -0.50 -0.25 0.00 -0.27 0.00 0.00 62.75 61.81 3jx1 n ILE 369 Cb 0.13 0.25 0.07 0.00 -1.74 0.00 0.00 39.64 38.36 3jx1 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx1 n LYS 370 N 0.59 -7.56 -0.75 6.28 5.02 -0.70 -4.91 118.16 116.14 3jx1 n LYS 370 Ca 0.13 0.80 0.06 0.00 -2.02 0.00 0.00 58.31 57.27 3jx1 n LYS 370 Cb 0.32 -5.83 0.18 0.00 -0.02 0.00 0.00 35.03 29.68 3jx1 n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jx1 n ARG 371 N -4.92 1.31 -1.91 1.97 5.12 0.17 -5.01 116.66 113.39 3jx1 n ARG 371 Ca -0.00 -3.08 -0.42 0.00 -1.93 0.00 0.00 57.85 52.43 3jx1 n ARG 371 Cb 0.56 -1.34 -0.02 0.00 -1.16 0.00 0.00 32.46 30.50 3jx1 n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3jx1 s PHE 372 N -2.68 2.93 -0.35 -1.55 5.36 -0.83 -2.19 117.98 118.67 3jx1 s PHE 372 Ca 0.37 0.87 0.00 0.00 -0.96 0.00 0.00 56.93 57.21 3jx1 s PHE 372 Cb 0.37 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 39.12 3jx1 s PHE 372 CO -0.09 -3.13 0.00 0.41 -1.46 0.00 0.00 175.22 170.95 3jx1 n GLY 373 N 2.47 0.48 3.92 13.12 0.00 -1.26 -5.00 105.19 118.91 3jx1 n GLY 373 Ca 0.09 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3jx1 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx1 s SER 374 N -2.21 5.18 0.18 1.61 1.04 -0.93 -4.89 113.70 113.69 3jx1 s SER 374 Ca 0.00 0.62 -0.13 0.00 0.48 0.00 0.00 55.95 56.92 3jx1 s SER 374 Cb 0.00 -1.42 0.15 0.00 0.10 0.00 0.00 66.02 64.85 3jx1 s SER 374 CO 0.00 -1.36 1.77 0.50 0.98 0.00 0.00 173.24 175.13 3jx1 h LYS 375 N -0.43 0.41 -0.97 4.02 3.64 -1.95 -1.36 116.57 119.93 3jx1 h LYS 375 Ca -0.45 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.98 3jx1 h LYS 375 Cb 1.29 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 3jx1 h LYS 375 CO 0.61 0.27 0.62 0.00 -2.27 0.00 0.00 179.45 178.68 3jx1 h ALA 376 N 1.30 1.37 0.46 5.00 0.00 -1.94 0.39 119.26 125.83 3jx1 h ALA 376 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3jx1 h ALA 376 Cb 0.19 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3jx1 h ALA 376 CO -0.20 0.37 -0.29 1.25 0.00 0.00 0.00 179.25 180.38 3jx1 h HIS 377 N 1.10 -0.76 -0.70 0.00 -0.00 -1.61 -1.34 115.15 111.83 3jx1 h HIS 377 Ca 0.43 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.74 3jx1 h HIS 377 Cb 0.23 0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.88 3jx1 h HIS 377 CO -0.01 -0.44 0.22 0.52 -0.00 0.00 0.00 177.93 178.22 3jx1 h MET 378 N -0.71 1.07 -0.36 5.26 2.07 -0.71 -0.73 114.93 120.81 3jx1 h MET 378 Ca -0.05 -0.22 0.03 0.00 -2.07 0.00 0.00 59.70 57.39 3jx1 h MET 378 Cb 0.59 -0.16 -0.03 0.00 -1.87 0.00 0.00 31.60 30.13 3jx1 h MET 378 CO 0.05 0.91 0.17 -0.44 1.07 0.00 0.00 176.91 178.67 3jx1 h ASP 379 N 1.03 0.25 -0.40 1.22 3.32 -0.22 -0.58 116.42 121.05 3jx1 h ASP 379 Ca 0.23 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 3jx1 h ASP 379 Cb 0.28 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3jx1 h ASP 379 CO -0.01 0.19 0.01 -0.09 -1.72 0.00 0.00 179.24 177.62 3jx1 h ARG 380 N 0.36 0.70 -0.94 3.56 9.65 -0.58 0.86 114.38 127.99 3jx1 h ARG 380 Ca 0.15 -0.22 0.04 0.00 -1.10 0.00 0.00 59.98 58.85 3jx1 h ARG 380 Cb 0.06 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.52 3jx1 h ARG 380 CO -0.11 0.78 0.60 1.25 2.80 0.00 0.00 179.97 185.30 3jx1 h LEU 381 N 0.53 1.00 0.08 3.80 5.85 -0.99 -0.33 115.31 125.25 3jx1 h LEU 381 Ca 0.11 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3jx1 h LEU 381 Cb 0.47 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3jx1 h LEU 381 CO 0.02 0.67 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.67 3jx1 h GLU 382 N 1.16 -0.10 -0.75 1.25 4.57 -0.70 -1.23 114.58 118.77 3jx1 h GLU 382 Ca 0.38 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.65 3jx1 h GLU 382 Cb 0.04 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.59 3jx1 h GLU 382 CO -0.13 0.07 0.41 1.49 -1.18 0.00 0.00 179.01 179.67 3jx1 h GLU 383 N -0.27 0.69 -0.26 1.92 4.81 -0.48 0.13 114.58 121.12 3jx1 h GLU 383 Ca -0.01 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 3jx1 h GLU 383 Cb 0.23 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.45 3jx1 h GLU 383 CO 0.02 0.45 -0.52 0.28 -0.73 0.00 0.00 179.01 178.52 3jx1 h VAL 384 N 0.71 1.29 -0.61 0.32 2.07 -1.05 -2.09 116.25 116.88 3jx1 h VAL 384 Ca 0.36 -1.71 0.04 0.00 0.82 0.00 0.00 66.70 66.20 3jx1 h VAL 384 Cb 0.31 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3jx1 h VAL 384 CO -0.24 0.55 0.36 -1.13 0.02 0.00 0.00 177.57 177.13 3jx1 h ASN 385 N 0.57 0.56 -0.44 0.57 -0.00 -0.64 -0.23 115.58 115.95 3jx1 h ASN 385 Ca 0.01 0.01 0.05 0.00 -0.00 0.00 0.00 56.30 56.37 3jx1 h ASN 385 Cb 1.13 -0.10 -0.04 0.00 -0.00 0.00 0.00 38.32 39.30 3jx1 h ASN 385 CO 0.12 0.38 0.19 0.11 -0.00 0.00 0.00 177.43 178.23 3jx1 h LYS 386 N 0.68 0.38 -0.07 6.67 1.79 -0.62 -2.24 116.57 123.16 3jx1 h LYS 386 Ca 0.26 -0.02 -0.17 0.00 -2.18 0.00 0.00 60.65 58.54 3jx1 h LYS 386 Cb 0.09 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 3jx1 h LYS 386 CO -0.14 0.25 -0.68 1.49 -1.08 0.00 0.00 179.45 179.30 3jx1 h GLU 387 N 0.39 0.32 0.38 3.15 4.81 -0.85 -2.24 114.58 120.54 3jx1 h GLU 387 Ca 0.20 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3jx1 h GLU 387 Cb 0.15 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3jx1 h GLU 387 CO -0.17 0.88 -0.18 0.82 -0.73 0.00 0.00 179.01 179.62 3jx1 h ILE 388 N 0.22 0.54 -1.07 2.32 2.04 -0.93 0.22 117.51 120.85 3jx1 h ILE 388 Ca -0.02 -0.56 0.29 0.00 1.00 0.00 0.00 64.86 65.57 3jx1 h ILE 388 Cb 1.22 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 37.99 3jx1 h ILE 388 CO 0.11 0.09 0.71 -0.33 0.00 0.00 0.00 178.15 178.73 3jx1 h GLU 389 N -0.87 0.28 0.01 2.37 4.39 -1.34 0.51 114.58 119.93 3jx1 h GLU 389 Ca -0.05 -0.02 -0.36 0.00 0.34 0.00 0.00 59.36 59.27 3jx1 h GLU 389 Cb 0.54 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.07 3jx1 h GLU 389 CO 0.09 0.18 -2.27 0.45 -1.16 0.00 0.00 179.01 176.30 3jx1 n SER 390 N -4.53 1.00 -0.00 1.42 2.88 -0.85 -4.60 113.62 108.94 3jx1 n SER 390 Ca 0.26 0.04 0.05 0.00 -1.33 0.00 0.00 58.87 57.89 3jx1 n SER 390 Cb 0.98 0.19 -0.06 0.00 -0.75 0.00 0.00 64.21 64.56 3jx1 n SER 390 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3jx1 n THR 391 N -3.04 0.00 -0.91 2.46 -2.24 0.78 -5.01 114.28 106.33 3jx1 n THR 391 Ca -0.35 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3jx1 n THR 391 Cb 1.08 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 3jx1 n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3jx1 n SER 392 N -1.39 -0.98 -2.01 3.42 3.41 0.18 -4.96 113.62 111.28 3jx1 n SER 392 Ca 0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.55 3jx1 n SER 392 Cb 0.19 -0.77 -0.01 0.00 -0.26 0.00 0.00 64.21 63.36 3jx1 n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3jx1 n THR 393 N -2.20 0.00 -3.85 6.66 5.66 -1.26 -4.75 114.28 114.54 3jx1 n THR 393 Ca 0.00 -0.84 -0.10 0.00 -3.05 0.00 0.00 64.05 60.07 3jx1 n THR 393 Cb 0.03 0.56 -0.06 0.00 -1.55 0.00 0.00 70.33 69.31 3jx1 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx1 s TYR 394 N -4.26 0.15 -0.14 1.09 -0.85 -1.26 -3.23 117.35 108.85 3jx1 s TYR 394 Ca 0.14 -0.51 -0.05 0.00 -0.52 0.00 0.00 57.07 56.12 3jx1 s TYR 394 Cb -0.01 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.42 3jx1 s TYR 394 CO 0.10 -0.77 0.02 -0.65 -1.52 0.00 0.00 175.55 172.73 3jx1 s GLN 395 N -3.91 3.58 0.28 -3.49 -1.52 -1.26 -5.05 119.66 108.30 3jx1 s GLN 395 Ca 0.12 -0.39 -0.29 0.00 -1.95 0.00 0.00 55.36 52.85 3jx1 s GLN 395 Cb 0.02 -3.02 -0.10 0.00 -0.22 0.00 0.00 33.01 29.70 3jx1 s GLN 395 CO -0.03 0.42 1.27 -0.51 -0.25 0.00 0.00 175.29 176.19 3jx1 s LEU 396 N -0.09 4.45 0.67 2.90 1.02 -1.26 -5.05 118.68 121.33 3jx1 s LEU 396 Ca 0.05 2.52 -0.15 0.00 0.02 0.00 0.00 54.13 56.57 3jx1 s LEU 396 Cb -0.12 -3.63 0.01 0.00 0.02 0.00 0.00 46.19 42.46 3jx1 s LEU 396 CO 0.02 -0.45 1.13 -0.54 0.02 0.00 0.00 176.35 176.52 3jx1 s LYS 397 N -1.24 2.67 0.27 1.70 -0.14 -1.26 -4.83 119.74 116.90 3jx1 s LYS 397 Ca 0.50 1.45 -0.01 0.00 -1.36 0.00 0.00 55.97 56.55 3jx1 s LYS 397 Cb -0.37 -1.93 0.49 0.00 -1.68 0.00 0.00 37.83 34.34 3jx1 s LYS 397 CO 0.46 -1.36 1.82 -0.44 -0.76 0.00 0.00 175.35 175.07 3jx1 h ASP 398 N -0.05 0.79 -0.63 2.83 5.19 -1.99 -0.28 116.42 122.28 3jx1 h ASP 398 Ca -0.47 0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 55.95 3jx1 h ASP 398 Cb 1.25 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.64 3jx1 h ASP 398 CO 0.53 0.42 0.21 0.71 -3.12 0.00 0.00 179.24 178.00 3jx1 h THR 399 N 0.88 1.24 -0.56 0.35 1.35 -2.00 -1.49 112.91 112.69 3jx1 h THR 399 Ca 0.46 -0.82 -0.08 0.00 -0.55 0.00 0.00 66.41 65.42 3jx1 h THR 399 Cb 0.46 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.44 3jx1 h THR 399 CO -0.27 0.31 0.02 -0.33 -0.25 0.00 0.00 175.52 175.01 3jx1 h GLU 400 N 0.90 0.95 0.22 4.72 5.08 -1.66 -1.62 114.58 123.18 3jx1 h GLU 400 Ca 0.21 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3jx1 h GLU 400 Cb 0.27 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3jx1 h GLU 400 CO -0.01 0.93 -0.10 1.25 -1.00 0.00 0.00 179.01 180.07 3jx1 h LEU 401 N 0.88 -0.25 -0.19 1.33 5.85 -0.87 0.81 115.31 122.87 3jx1 h LEU 401 Ca 0.17 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3jx1 h LEU 401 Cb 0.49 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3jx1 h LEU 401 CO 0.02 -0.12 0.10 0.40 -0.34 0.00 0.00 178.44 178.50 3jx1 h ILE 402 N -0.35 1.01 -0.35 4.05 2.04 -1.19 -1.17 117.51 121.54 3jx1 h ILE 402 Ca -0.03 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3jx1 h ILE 402 Cb 0.27 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3jx1 h ILE 402 CO 0.05 0.04 0.12 0.22 0.00 0.00 0.00 178.15 178.58 3jx1 h TYR 403 N 0.22 0.21 -0.13 1.37 3.20 -1.30 -2.08 116.97 118.45 3jx1 h TYR 403 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3jx1 h TYR 403 Cb 0.01 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3jx1 h TYR 403 CO -0.09 0.09 0.08 0.78 -1.64 0.00 0.00 178.16 177.38 3jx1 h GLY 404 N 0.27 0.18 1.00 1.82 0.00 -0.41 -0.91 103.07 105.01 3jx1 h GLY 404 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3jx1 h GLY 404 CO -0.17 0.07 0.36 0.00 0.00 0.00 0.00 176.54 176.80 3jx1 h ALA 405 N 1.04 0.73 -0.48 3.60 0.00 -1.19 0.66 119.26 123.62 3jx1 h ALA 405 Ca 0.05 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3jx1 h ALA 405 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3jx1 h ALA 405 CO -0.01 0.20 0.05 0.87 0.00 0.00 0.00 179.25 180.36 3jx1 h LYS 406 N 0.78 0.77 0.00 0.00 1.57 -1.09 -2.74 116.57 115.86 3jx1 h LYS 406 Ca 0.21 -0.18 -0.19 0.00 -1.87 0.00 0.00 60.65 58.62 3jx1 h LYS 406 Cb -0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3jx1 h LYS 406 CO -0.04 0.74 -0.88 0.45 -0.57 0.00 0.00 179.45 179.15 3jx1 h HIS 407 N 0.73 0.05 -0.72 -1.35 3.86 -0.90 -0.73 115.15 116.08 3jx1 h HIS 407 Ca 0.15 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.37 3jx1 h HIS 407 Cb 0.37 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 3jx1 h HIS 407 CO 0.02 0.89 0.44 0.00 0.86 0.00 0.00 177.93 180.14 3jx1 h ALA 408 N 1.10 0.96 0.01 2.45 0.00 -0.62 0.18 119.26 123.34 3jx1 h ALA 408 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jx1 h ALA 408 Cb 1.55 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3jx1 h ALA 408 CO 0.12 0.20 -0.00 2.35 0.00 0.00 0.00 179.25 181.91 3jx1 h TRP 409 N 0.85 -0.01 -1.02 0.00 7.01 -1.43 -2.38 115.95 118.97 3jx1 h TRP 409 Ca 0.30 -0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.55 3jx1 h TRP 409 Cb 0.07 0.00 -0.11 0.00 -2.10 0.00 0.00 29.16 27.02 3jx1 h TRP 409 CO -0.05 0.24 0.62 -0.09 -2.79 0.00 0.00 178.44 176.38 3jx1 h ARG 410 N -0.27 0.52 -0.00 2.65 2.43 -0.68 -1.09 114.38 117.94 3jx1 h ARG 410 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3jx1 h ARG 410 Cb 0.26 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3jx1 h ARG 410 CO 0.00 0.35 -0.16 0.09 -1.51 0.00 0.00 179.97 178.73 3jx1 n ASN 411 N -4.78 0.53 -4.55 -3.80 3.02 0.60 -4.83 115.26 101.45 3jx1 n ASN 411 Ca 0.26 -0.51 -0.38 0.00 -0.03 0.00 0.00 54.58 53.93 3jx1 n ASN 411 Cb 0.77 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.87 3jx1 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx1 s ALA 412 N -2.57 2.18 -0.10 5.41 0.00 -0.41 -4.70 121.76 121.56 3jx1 s ALA 412 Ca 0.25 -0.82 0.29 0.00 0.00 0.00 0.00 51.96 51.69 3jx1 s ALA 412 Cb 0.20 -4.33 1.34 0.00 0.00 0.00 0.00 23.12 20.32 3jx1 s ALA 412 CO 0.51 -3.93 1.88 0.66 0.00 0.00 0.00 175.76 174.88 3jx1 h SER 413 N 14.13 0.00 -0.06 0.00 4.64 -1.88 -2.02 113.55 128.36 3jx1 h SER 413 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3jx1 h SER 413 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3jx1 h SER 413 CO 1.23 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.73 3jx1 n ARG 414 N -2.61 1.87 -3.56 4.77 1.74 -1.26 -0.74 116.66 116.88 3jx1 n ARG 414 Ca 0.00 -1.28 -0.40 0.00 -0.77 0.00 0.00 57.85 55.40 3jx1 n ARG 414 Cb 0.19 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 3jx1 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx1 n VAL 416 N 5.07 0.74 0.43 0.00 3.14 -1.26 -3.76 118.33 122.70 3jx1 n VAL 416 Ca -0.13 0.03 0.09 0.00 -2.96 0.00 0.00 64.34 61.37 3jx1 n VAL 416 Cb 0.49 -0.96 0.25 0.00 -1.06 0.00 0.00 33.84 32.56 3jx1 n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jx1 n GLY 417 N 0.48 1.35 0.00 7.55 0.00 -1.26 -4.44 105.19 108.88 3jx1 n GLY 417 Ca 0.03 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.52 3jx1 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx1 n ARG 418 N 1.00 0.05 0.14 1.61 1.74 -1.25 -2.32 116.66 117.64 3jx1 n ARG 418 Ca 0.18 0.29 0.18 0.00 -0.77 0.00 0.00 57.85 57.73 3jx1 n ARG 418 Cb 0.45 -1.50 0.77 0.00 -1.02 0.00 0.00 32.46 31.16 3jx1 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx1 h ILE 419 N 0.00 0.49 -0.04 0.55 2.10 -1.88 -1.02 117.51 117.72 3jx1 h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jx1 h ILE 419 Cb 0.11 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 3jx1 h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3jx1 n GLN 420 N -3.88 1.63 -0.30 2.19 1.13 -0.98 -4.62 117.38 112.55 3jx1 n GLN 420 Ca 0.05 -0.92 0.17 0.00 -1.94 0.00 0.00 57.00 54.36 3jx1 n GLN 420 Cb 0.46 -1.46 0.43 0.00 0.11 0.00 0.00 30.24 29.78 3jx1 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx1 h TRP 421 N 2.16 0.76 0.00 1.08 5.08 -1.40 0.04 115.95 123.67 3jx1 h TRP 421 Ca 0.00 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3jx1 h TRP 421 Cb 0.46 -0.23 0.00 0.00 -3.00 0.00 0.00 29.16 26.39 3jx1 h TRP 421 CO 0.02 0.18 0.00 -1.13 -1.28 0.00 0.00 178.44 176.23 3jx1 n SER 422 N -4.61 0.25 -4.28 0.11 3.41 -1.26 -4.21 113.62 103.02 3jx1 n SER 422 Ca 0.21 0.52 -0.44 0.00 -0.26 0.00 0.00 58.87 58.91 3jx1 n SER 422 Cb 0.66 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 3jx1 n SER 422 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3jx1 s LYS 423 N -3.03 3.76 -0.03 4.33 2.20 0.00 -4.96 119.74 122.00 3jx1 s LYS 423 Ca 0.13 -2.95 -0.01 0.00 -0.36 0.00 0.00 55.97 52.78 3jx1 s LYS 423 Cb 0.17 -4.37 0.03 0.00 -1.51 0.00 0.00 37.83 32.15 3jx1 s LYS 423 CO 0.54 -1.25 0.06 -1.17 -0.36 0.00 0.00 175.35 173.17 3jx1 s LEU 424 N -0.76 0.72 -0.30 5.43 2.96 -1.26 -4.62 118.68 120.84 3jx1 s LEU 424 Ca 0.25 0.09 -0.21 0.00 -0.22 0.00 0.00 54.13 54.05 3jx1 s LEU 424 Cb -0.10 -0.03 -0.01 0.00 0.50 0.00 0.00 46.19 46.55 3jx1 s LEU 424 CO -0.09 -0.17 0.64 -1.58 -1.32 0.00 0.00 176.35 173.84 3jx1 s GLN 425 N 1.45 3.93 -0.24 1.98 2.00 -0.90 -4.99 119.66 122.89 3jx1 s GLN 425 Ca -0.05 0.35 -0.10 0.00 -2.00 0.00 0.00 55.36 53.56 3jx1 s GLN 425 Cb -0.13 -3.72 -0.05 0.00 0.80 0.00 0.00 33.01 29.92 3jx1 s GLN 425 CO -0.03 -0.56 0.16 0.08 -0.50 0.00 0.00 175.29 174.43 3jx1 s VAL 426 N 2.63 5.35 -0.30 1.34 1.01 -1.26 -1.02 120.40 128.15 3jx1 s VAL 426 Ca 0.26 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.32 3jx1 s VAL 426 Cb -0.15 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 3jx1 s VAL 426 CO 0.11 0.34 0.14 -0.36 0.00 0.00 0.00 175.10 175.34 3jx1 s PHE 427 N 1.08 3.17 -0.63 5.22 0.08 0.11 -4.97 117.98 122.04 3jx1 s PHE 427 Ca 0.07 -0.51 -0.25 0.00 0.12 0.00 0.00 56.93 56.37 3jx1 s PHE 427 Cb -0.14 -2.34 0.04 0.00 -0.57 0.00 0.00 43.02 40.02 3jx1 s PHE 427 CO 0.05 -0.42 1.07 0.34 -0.10 0.00 0.00 175.22 176.15 3jx1 s ASP 428 N 1.62 6.27 -0.35 1.36 -1.08 -1.26 -1.31 116.67 121.93 3jx1 s ASP 428 Ca 0.05 -0.47 0.07 0.00 -0.52 0.00 0.00 52.55 51.68 3jx1 s ASP 428 Cb -0.17 -2.48 0.52 0.00 -1.46 0.00 0.00 42.92 39.34 3jx1 s ASP 428 CO 0.06 -1.47 1.56 0.00 0.52 0.00 0.00 175.17 175.84 3jx1 n ALA 429 N 8.13 4.78 0.49 3.66 0.00 0.23 -4.65 120.51 133.14 3jx1 n ALA 429 Ca 0.02 -3.22 0.11 0.00 0.00 0.00 0.00 53.44 50.35 3jx1 n ALA 429 Cb 0.48 -0.89 0.44 0.00 0.00 0.00 0.00 19.45 19.48 3jx1 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jx1 n ARG 430 N -1.07 0.15 0.00 0.00 1.74 -1.11 -2.02 116.66 114.35 3jx1 n ARG 430 Ca 0.41 0.33 0.15 0.00 -0.77 0.00 0.00 57.85 57.96 3jx1 n ARG 430 Cb 1.09 -1.75 0.66 0.00 -1.02 0.00 0.00 32.46 31.44 3jx1 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jx1 n ASP 431 N -2.02 0.87 -4.77 0.55 5.75 -1.26 -4.48 116.55 111.19 3jx1 n ASP 431 Ca 0.03 -1.19 -0.41 0.00 -0.01 0.00 0.00 54.79 53.21 3jx1 n ASP 431 Cb 0.25 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 3jx1 n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jx1 n THR 433 N 0.85 0.00 -4.15 0.00 -2.24 -1.26 -4.76 114.28 102.72 3jx1 n THR 433 Ca 0.01 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 3jx1 n THR 433 Cb 0.41 0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 69.37 3jx1 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx1 s THR 434 N -0.68 0.18 0.24 4.28 -4.23 -1.26 -4.75 115.64 109.42 3jx1 s THR 434 Ca 0.00 -1.90 -0.05 0.00 -1.18 0.00 0.00 61.69 58.56 3jx1 s THR 434 Cb 0.00 -1.97 0.15 0.00 1.34 0.00 0.00 72.50 72.02 3jx1 s THR 434 CO 0.00 -0.55 1.78 0.00 -0.54 0.00 0.00 174.62 175.31 3jx1 h ALA 435 N 2.89 1.09 -0.51 3.99 0.00 -1.90 0.42 119.26 125.24 3jx1 h ALA 435 Ca -0.35 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.37 3jx1 h ALA 435 Cb 1.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3jx1 h ALA 435 CO 0.61 0.62 0.30 0.45 0.00 0.00 0.00 179.25 181.23 3jx1 h HIS 436 N 1.00 0.56 -0.51 0.00 -0.00 -1.96 0.18 115.15 114.42 3jx1 h HIS 436 Ca 0.22 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.66 3jx1 h HIS 436 Cb 0.29 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 27.47 3jx1 h HIS 436 CO 0.02 0.32 0.25 0.78 -0.00 0.00 0.00 177.93 179.30 3jx1 h GLY 437 N 0.60 0.71 0.69 2.45 0.00 -1.83 -1.78 103.07 103.91 3jx1 h GLY 437 Ca 0.20 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.42 3jx1 h GLY 437 CO -0.10 0.10 0.26 -0.33 0.00 0.00 0.00 176.54 176.47 3jx1 h MET 438 N 0.48 0.49 -0.45 4.80 0.00 -0.20 -1.32 114.93 118.74 3jx1 h MET 438 Ca 0.23 -0.03 0.03 0.00 0.00 0.00 0.00 59.70 59.93 3jx1 h MET 438 Cb 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 31.60 31.61 3jx1 h MET 438 CO -0.17 0.33 0.25 0.35 0.00 0.00 0.00 176.91 177.66 3jx1 h PHE 439 N 0.51 0.47 -0.21 -0.22 -0.00 -0.23 -0.85 116.94 116.41 3jx1 h PHE 439 Ca 0.24 0.02 0.01 0.00 -0.00 0.00 0.00 57.97 58.23 3jx1 h PHE 439 Cb 0.16 -0.14 -0.01 0.00 -0.00 0.00 0.00 35.95 35.95 3jx1 h PHE 439 CO -0.11 0.26 0.11 -0.97 -0.00 0.00 0.00 178.31 177.60 3jx1 h ASN 440 N 0.50 0.17 -0.89 0.41 -1.24 -0.94 -0.59 115.58 113.00 3jx1 h ASN 440 Ca 0.19 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.27 3jx1 h ASN 440 Cb 0.05 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.01 3jx1 h ASN 440 CO -0.11 0.13 0.58 1.88 -1.29 0.00 0.00 177.43 178.63 3jx1 h TYR 441 N 0.23 1.02 -0.11 0.67 -1.99 -0.97 -1.75 116.97 114.07 3jx1 h TYR 441 Ca 0.08 0.03 -0.22 0.00 2.00 0.00 0.00 58.73 60.62 3jx1 h TYR 441 Cb 0.01 -0.34 0.01 0.00 2.00 0.00 0.00 36.73 38.41 3jx1 h TYR 441 CO -0.08 0.53 -0.79 0.82 -0.00 0.00 0.00 178.16 178.64 3jx1 h ILE 442 N 1.00 1.29 -0.87 -2.88 2.04 -0.71 -0.30 117.51 117.09 3jx1 h ILE 442 Ca 0.38 -2.01 0.02 0.00 1.00 0.00 0.00 64.86 64.25 3jx1 h ILE 442 Cb 0.21 2.11 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 3jx1 h ILE 442 CO -0.14 0.63 0.58 0.00 0.00 0.00 0.00 178.15 179.21 3jx1 h ASN 444 N 1.16 0.91 -0.03 0.00 2.35 -1.16 -1.21 115.58 117.61 3jx1 h ASN 444 Ca 0.33 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3jx1 h ASN 444 Cb -0.10 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 3jx1 h ASN 444 CO -0.08 1.02 -0.05 -0.74 -1.65 0.00 0.00 177.43 175.93 3jx1 h HIS 445 N 0.82 -0.13 -0.63 1.19 2.76 -0.56 -1.20 115.15 117.39 3jx1 h HIS 445 Ca 0.13 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.33 3jx1 h HIS 445 Cb 0.63 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.61 3jx1 h HIS 445 CO 0.04 -0.08 0.40 0.28 -1.30 0.00 0.00 177.93 177.26 3jx1 h VAL 446 N -0.08 1.10 -0.18 5.26 2.07 -0.24 0.17 116.25 124.35 3jx1 h VAL 446 Ca 0.03 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3jx1 h VAL 446 Cb 0.12 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3jx1 h VAL 446 CO -0.08 0.14 -0.17 0.50 0.02 0.00 0.00 177.57 177.99 3jx1 h LYS 447 N 0.79 0.42 -0.29 1.57 3.64 -1.20 -1.60 116.57 119.90 3jx1 h LYS 447 Ca 0.25 -0.22 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3jx1 h LYS 447 Cb -0.01 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3jx1 h LYS 447 CO -0.09 0.78 0.16 -0.92 -2.27 0.00 0.00 179.45 177.11 3jx1 h TYR 448 N 0.08 0.29 -0.37 1.91 3.20 -0.91 -2.26 116.97 118.91 3jx1 h TYR 448 Ca 0.03 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 3jx1 h TYR 448 Cb 0.70 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3jx1 h TYR 448 CO 0.08 0.16 -0.04 0.00 -1.64 0.00 0.00 178.16 176.72 3jx1 h ALA 449 N 1.14 0.51 0.04 1.82 0.00 -0.96 -3.26 119.26 118.55 3jx1 h ALA 449 Ca 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3jx1 h ALA 449 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3jx1 h ALA 449 CO -0.07 0.32 -0.02 1.15 0.00 0.00 0.00 179.25 180.63 3jx1 h THR 450 N 0.49 1.16 -6.13 0.00 2.02 -1.28 0.12 112.91 109.30 3jx1 h THR 450 Ca 0.10 -0.65 -0.44 0.00 0.77 0.00 0.00 66.41 66.19 3jx1 h THR 450 Cb 0.53 1.60 0.03 0.00 -1.74 0.00 0.00 68.15 68.56 3jx1 h THR 450 CO 0.03 0.16 -0.75 -3.20 0.37 0.00 0.00 175.52 172.13 3jx1 n ASN 451 N -4.98 -4.69 -2.30 4.18 4.05 -0.85 -0.94 115.26 109.73 3jx1 n ASN 451 Ca -0.08 -0.72 -0.20 0.00 0.45 0.00 0.00 54.58 54.04 3jx1 n ASN 451 Cb 0.17 -4.26 -0.02 0.00 1.23 0.00 0.00 39.78 36.90 3jx1 n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3jx1 n LYS 452 N -4.70 -1.72 0.00 1.20 5.02 -1.26 -2.03 118.16 114.66 3jx1 n LYS 452 Ca -0.02 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 3jx1 n LYS 452 Cb 0.56 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 29.96 3jx1 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx1 n GLY 453 N -0.91 3.00 3.26 0.72 0.00 -0.12 -4.93 105.19 106.22 3jx1 n GLY 453 Ca -0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 3jx1 n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jx1 n ASN 454 N 0.00 5.30 -4.77 1.61 4.05 -0.86 -0.82 115.26 119.77 3jx1 n ASN 454 Ca 0.00 -3.05 -0.41 0.00 0.45 0.00 0.00 54.58 51.57 3jx1 n ASN 454 Cb 0.00 -1.50 -0.01 0.00 1.23 0.00 0.00 39.78 39.50 3jx1 n ASN 454 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3jx1 s LEU 455 N 0.49 4.34 -0.07 1.20 1.02 -1.24 -4.58 118.68 119.83 3jx1 s LEU 455 Ca 0.40 2.97 0.03 0.00 0.02 0.00 0.00 54.13 57.55 3jx1 s LEU 455 Cb 0.00 -3.66 0.01 0.00 0.02 0.00 0.00 46.19 42.56 3jx1 s LEU 455 CO 0.00 -0.82 -0.16 -0.13 0.02 0.00 0.00 176.35 175.26 3jx1 s ARG 456 N -1.83 2.12 0.29 1.70 0.52 0.43 -5.01 118.95 117.16 3jx1 s ARG 456 Ca 0.53 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.87 3jx1 s ARG 456 Cb -0.45 -1.69 -0.10 0.00 0.52 0.00 0.00 34.95 33.22 3jx1 s ARG 456 CO 0.59 0.10 1.45 -1.12 0.02 0.00 0.00 175.30 176.35 3jx1 s SER 457 N 0.48 6.58 0.01 0.23 0.01 -1.26 -4.43 113.70 115.33 3jx1 s SER 457 Ca -0.14 2.77 -0.16 0.00 1.31 0.00 0.00 55.95 59.73 3jx1 s SER 457 Cb -0.16 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.46 3jx1 s SER 457 CO 0.05 -0.74 0.34 0.00 0.41 0.00 0.00 173.24 173.31 3jx1 s ALA 458 N -0.33 -0.83 0.02 1.44 0.00 -0.88 -2.12 121.76 119.06 3jx1 s ALA 458 Ca 0.58 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.83 3jx1 s ALA 458 Cb -0.43 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 3jx1 s ALA 458 CO 0.48 -0.35 -0.11 -1.50 0.00 0.00 0.00 175.76 174.29 3jx1 s ILE 459 N -1.91 0.84 -0.12 0.00 2.07 -0.19 -1.28 121.20 120.61 3jx1 s ILE 459 Ca -0.09 -0.73 0.02 0.00 -1.41 0.00 0.00 60.65 58.43 3jx1 s ILE 459 Cb -0.03 -0.76 -0.00 0.00 0.13 0.00 0.00 42.46 41.80 3jx1 s ILE 459 CO 0.01 0.03 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.99 3jx1 s THR 460 N -0.65 2.48 -0.25 4.00 2.01 -0.33 0.10 115.64 123.01 3jx1 s THR 460 Ca 0.01 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.16 3jx1 s THR 460 Cb -0.06 -2.00 0.04 0.00 0.01 0.00 0.00 72.50 70.49 3jx1 s THR 460 CO 0.00 0.54 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.74 3jx1 s ILE 461 N 0.49 2.42 0.84 1.82 1.01 -0.42 -3.07 121.20 124.29 3jx1 s ILE 461 Ca -0.13 -1.31 -0.11 0.00 0.00 0.00 0.00 60.65 59.10 3jx1 s ILE 461 Cb -0.17 -2.29 0.14 0.00 0.01 0.00 0.00 42.46 40.15 3jx1 s ILE 461 CO 0.05 0.13 1.18 -0.36 0.00 0.00 0.00 174.94 175.94 3jx1 s PHE 462 N 1.21 2.13 0.64 3.97 0.08 -0.86 -0.60 117.98 124.55 3jx1 s PHE 462 Ca -0.03 0.33 -0.18 0.00 0.12 0.00 0.00 56.93 57.16 3jx1 s PHE 462 Cb -0.18 -3.63 -0.02 0.00 -0.57 0.00 0.00 43.02 38.63 3jx1 s PHE 462 CO -0.06 -2.07 1.29 -2.14 -0.10 0.00 0.00 175.22 172.13 3jx1 s PRO 463 N -5.58 2.63 0.66 0.24 0.02 -1.26 -4.66 135.00 127.05 3jx1 s PRO 463 Ca 0.68 2.04 -0.13 0.00 0.02 0.00 0.00 61.00 63.60 3jx1 s PRO 463 Cb -0.07 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.57 3jx1 s PRO 463 CO 0.49 -1.53 1.07 1.14 -0.33 0.00 0.00 177.00 177.84 3jx1 s GLN 464 N -3.35 2.99 0.28 5.54 -2.07 -1.26 -4.56 119.66 117.22 3jx1 s GLN 464 Ca 0.82 1.15 -0.28 0.00 -1.82 0.00 0.00 55.36 55.23 3jx1 s GLN 464 Cb -0.37 -1.99 -0.14 0.00 -1.09 0.00 0.00 33.01 29.42 3jx1 s GLN 464 CO 0.39 -1.07 1.05 -2.13 -1.32 0.00 0.00 175.29 172.21 3jx1 n ARG 465 N -2.61 1.41 0.00 9.60 0.63 0.12 -4.92 116.66 120.90 3jx1 n ARG 465 Ca 0.09 0.50 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 3jx1 n ARG 465 Cb 0.53 -1.90 0.00 0.00 0.45 0.00 0.00 32.46 31.54 3jx1 n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jx1 n THR 466 N 0.38 0.00 0.66 5.15 -2.24 -1.26 -4.77 114.28 112.19 3jx1 n THR 466 Ca 0.10 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 3jx1 n THR 466 Cb 0.32 -0.37 0.21 0.00 -2.10 0.00 0.00 70.33 68.39 3jx1 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx1 n ASP 467 N -0.20 3.08 0.00 3.42 5.68 -1.26 -4.95 116.55 122.32 3jx1 n ASP 467 Ca 0.00 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 3jx1 n ASP 467 Cb 0.00 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 3jx1 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jx1 n GLY 468 N 1.41 0.64 0.93 6.12 0.00 -1.26 -4.83 105.19 108.20 3jx1 n GLY 468 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3jx1 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx1 n LYS 469 N -2.19 2.30 -2.05 1.61 5.02 -1.26 -4.51 118.16 117.09 3jx1 n LYS 469 Ca 0.00 -2.09 0.02 0.00 -2.02 0.00 0.00 58.31 54.21 3jx1 n LYS 469 Cb 0.04 -1.41 0.04 0.00 -0.02 0.00 0.00 35.03 33.68 3jx1 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx1 n HIS 470 N 1.13 0.61 -1.99 2.13 8.25 -1.26 -4.41 115.22 119.67 3jx1 n HIS 470 Ca 0.16 -1.28 -0.41 0.00 -0.26 0.00 0.00 57.72 55.93 3jx1 n HIS 470 Cb 0.51 -0.19 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 3jx1 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jx1 s ASP 471 N -2.85 6.61 -0.04 0.41 1.11 -1.26 -3.40 116.67 117.25 3jx1 s ASP 471 Ca 0.32 2.78 -0.24 0.00 0.18 0.00 0.00 52.55 55.59 3jx1 s ASP 471 Cb 0.36 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.66 3jx1 s ASP 471 CO -0.11 -0.69 0.71 -0.36 1.18 0.00 0.00 175.17 175.91 3jx1 s PHE 472 N -0.71 3.62 -0.02 4.23 0.40 -1.26 -1.13 117.98 123.11 3jx1 s PHE 472 Ca 0.54 1.30 -0.02 0.00 -0.60 0.00 0.00 56.93 58.14 3jx1 s PHE 472 Cb -0.42 -2.80 0.00 0.00 0.51 0.00 0.00 43.02 40.31 3jx1 s PHE 472 CO 0.52 0.15 0.06 1.03 0.70 0.00 0.00 175.22 177.68 3jx1 s ARG 473 N 0.55 0.14 -0.27 0.44 1.81 0.09 -2.89 118.95 118.82 3jx1 s ARG 473 Ca 0.37 -0.03 -0.16 0.00 -1.72 0.00 0.00 55.73 54.20 3jx1 s ARG 473 Cb -0.18 0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.34 3jx1 s ARG 473 CO 0.19 -0.02 0.42 0.08 -0.68 0.00 0.00 175.30 175.29 3jx1 s VAL 474 N -0.25 5.14 0.28 3.52 1.01 -1.26 -0.86 120.40 127.97 3jx1 s VAL 474 Ca -0.03 0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.68 3jx1 s VAL 474 Cb -0.02 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3jx1 s VAL 474 CO 0.00 0.12 1.66 -0.50 0.00 0.00 0.00 175.10 176.38 3jx1 h TRP 475 N 8.13 0.25 -4.07 5.22 4.06 -0.92 -3.42 115.95 125.19 3jx1 h TRP 475 Ca -0.31 -0.08 -0.55 0.00 2.06 0.00 0.00 58.89 60.02 3jx1 h TRP 475 Cb 1.15 -0.05 0.14 0.00 -1.00 0.00 0.00 29.16 29.40 3jx1 h TRP 475 CO 0.76 0.65 0.56 -0.80 -3.56 0.00 0.00 178.44 176.05 3jx1 s ASN 476 N -6.88 5.05 0.25 -3.49 -0.87 -1.26 -4.85 114.94 102.89 3jx1 s ASN 476 Ca -0.04 2.67 0.14 0.00 -1.57 0.00 0.00 52.86 54.06 3jx1 s ASN 476 Cb 0.13 -2.63 0.07 0.00 -0.02 0.00 0.00 41.25 38.80 3jx1 s ASN 476 CO 0.78 -1.71 1.44 0.77 -2.57 0.00 0.00 177.10 175.81 3jx1 h SER 477 N 1.10 0.00 -4.82 -1.22 4.64 -1.90 -3.36 113.55 108.00 3jx1 h SER 477 Ca -0.51 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.60 3jx1 h SER 477 Cb 1.31 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.19 3jx1 h SER 477 CO 0.56 0.60 -0.71 -1.10 -0.87 0.00 0.00 176.83 175.30 3jx1 s GLN 478 N -2.98 0.38 0.36 4.77 -0.21 -1.26 -0.96 119.66 119.76 3jx1 s GLN 478 Ca 0.03 -0.62 0.04 0.00 0.02 0.00 0.00 55.36 54.83 3jx1 s GLN 478 Cb 0.08 -0.05 0.71 0.00 1.00 0.00 0.00 33.01 34.75 3jx1 s GLN 478 CO 0.76 -0.01 2.00 -0.07 -2.12 0.00 0.00 175.29 175.85 3jx1 h LEU 479 N 4.70 0.66 -7.91 2.90 3.38 -1.23 -3.38 115.31 114.43 3jx1 h LEU 479 Ca -0.33 -0.01 -0.64 0.00 0.09 0.00 0.00 57.88 56.99 3jx1 h LEU 479 Cb 1.21 -0.16 -0.36 0.00 0.09 0.00 0.00 40.66 41.44 3jx1 h LEU 479 CO 0.42 0.47 -0.83 -0.63 0.09 0.00 0.00 178.44 177.95 3jx1 s ILE 480 N -5.67 1.87 0.11 1.22 1.01 -1.26 -4.86 121.20 113.61 3jx1 s ILE 480 Ca -0.10 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 59.40 3jx1 s ILE 480 Cb 0.18 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.83 3jx1 s ILE 480 CO 0.76 0.30 0.26 -0.13 0.00 0.00 0.00 174.94 176.12 3jx1 s ARG 481 N 1.32 0.94 -0.01 2.79 0.52 -1.26 -4.88 118.95 118.36 3jx1 s ARG 481 Ca 0.00 -0.91 -0.05 0.00 -0.52 0.00 0.00 55.73 54.25 3jx1 s ARG 481 Cb -0.15 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.65 3jx1 s ARG 481 CO -0.10 -0.32 0.22 0.71 0.02 0.00 0.00 175.30 175.83 3jx1 s TYR 482 N -3.86 3.57 0.65 -0.53 4.12 -1.26 -0.47 117.35 119.58 3jx1 s TYR 482 Ca 0.06 0.49 -0.16 0.00 0.02 0.00 0.00 57.07 57.48 3jx1 s TYR 482 Cb 0.04 -1.93 -0.01 0.00 -1.52 0.00 0.00 41.96 38.55 3jx1 s TYR 482 CO -0.10 0.64 1.14 0.00 0.02 0.00 0.00 175.55 177.25 3jx1 s ALA 483 N -1.27 2.45 -0.05 3.71 0.00 0.86 -4.42 121.76 123.04 3jx1 s ALA 483 Ca 0.26 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.94 3jx1 s ALA 483 Cb -0.13 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.64 3jx1 s ALA 483 CO 0.16 -1.29 -0.13 0.20 0.00 0.00 0.00 175.76 174.70 3jx1 s GLY 484 N -2.26 0.80 -0.06 0.00 0.00 -1.23 -1.31 107.32 103.26 3jx1 s GLY 484 Ca 0.70 -0.49 0.02 0.00 0.00 0.00 0.00 44.72 44.95 3jx1 s GLY 484 CO 0.39 -0.05 -0.10 -0.19 0.00 0.00 0.00 173.10 173.15 3jx1 s TYR 485 N 0.42 1.25 0.07 1.90 1.51 0.32 -4.09 117.35 118.73 3jx1 s TYR 485 Ca -0.10 -0.45 -0.26 0.00 -1.01 0.00 0.00 57.07 55.25 3jx1 s TYR 485 Cb -0.14 -0.96 -0.06 0.00 -0.11 0.00 0.00 41.96 40.70 3jx1 s TYR 485 CO 0.03 -0.26 0.81 0.15 -1.11 0.00 0.00 175.55 175.17 3jx1 s LYS 486 N 0.79 4.55 0.05 -0.62 1.02 -1.26 0.59 119.74 124.85 3jx1 s LYS 486 Ca -0.13 1.16 0.01 0.00 0.02 0.00 0.00 55.97 57.04 3jx1 s LYS 486 Cb -0.15 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3jx1 s LYS 486 CO 0.02 0.30 0.11 -0.65 -0.92 0.00 0.00 175.35 174.22 3jx1 s GLN 487 N -0.17 3.09 0.35 1.68 -1.52 -0.36 -4.95 119.66 117.77 3jx1 s GLN 487 Ca 0.40 -0.55 0.15 0.00 -1.95 0.00 0.00 55.36 53.41 3jx1 s GLN 487 Cb -0.21 -2.85 1.14 0.00 -0.22 0.00 0.00 33.01 30.86 3jx1 s GLN 487 CO 0.25 0.61 1.64 -1.35 -0.25 0.00 0.00 175.29 176.18 3jx1 h PRO 488 N 3.52 0.21 -1.51 2.91 0.11 -1.97 0.90 132.00 136.17 3jx1 h PRO 488 Ca -0.47 -0.01 0.48 0.00 0.11 0.00 0.00 66.00 66.10 3jx1 h PRO 488 Cb 1.17 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.13 3jx1 h PRO 488 CO 0.67 0.14 1.03 -3.47 -0.21 0.00 0.00 178.00 176.16 3jx1 n ASP 489 N -5.13 0.11 0.00 -2.05 4.64 -1.26 -4.82 116.55 108.04 3jx1 n ASP 489 Ca 0.33 1.11 0.00 0.00 -1.38 0.00 0.00 54.79 54.85 3jx1 n ASP 489 Cb 1.05 -0.55 0.00 0.00 -1.04 0.00 0.00 41.12 40.58 3jx1 n ASP 489 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3jx1 n GLY 490 N -1.64 2.29 0.00 0.27 0.00 0.31 -5.06 105.19 101.37 3jx1 n GLY 490 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 3jx1 n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx1 n SER 491 N 0.00 0.00 -4.08 1.61 3.41 -1.26 -4.79 113.62 108.52 3jx1 n SER 491 Ca 0.00 -0.97 -0.25 0.00 -0.26 0.00 0.00 58.87 57.39 3jx1 n SER 491 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 3jx1 n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3jx1 s THR 492 N -0.10 1.23 -0.12 6.66 2.01 -1.26 -1.22 115.64 122.83 3jx1 s THR 492 Ca 0.00 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.39 3jx1 s THR 492 Cb 0.00 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3jx1 s THR 492 CO 0.00 0.37 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.07 3jx1 s LEU 493 N 0.28 3.47 0.00 4.42 1.98 0.20 -4.95 118.68 124.07 3jx1 s LEU 493 Ca -0.08 0.02 0.00 0.00 -2.89 0.00 0.00 54.13 51.19 3jx1 s LEU 493 Cb -0.13 -1.82 0.00 0.00 0.66 0.00 0.00 46.19 44.91 3jx1 s LEU 493 CO 0.03 0.27 0.00 0.61 -1.89 0.00 0.00 176.35 175.36 3jx1 n GLY 494 N 2.87 -0.33 3.59 7.98 0.00 -1.26 -0.53 105.19 117.52 3jx1 n GLY 494 Ca -0.18 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 3jx1 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx1 s ASP 495 N -4.00 6.58 0.60 1.61 -1.08 -0.43 -4.80 116.67 115.16 3jx1 s ASP 495 Ca 0.00 0.39 0.35 0.00 -0.52 0.00 0.00 52.55 52.77 3jx1 s ASP 495 Cb 0.00 -2.42 1.94 0.00 -1.46 0.00 0.00 42.92 40.98 3jx1 s ASP 495 CO 0.00 -0.80 2.24 -0.65 0.52 0.00 0.00 175.17 176.48 3jx1 h PRO 496 N 8.54 0.00 0.00 4.34 0.11 -1.81 -2.43 132.00 140.75 3jx1 h PRO 496 Ca -0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 3jx1 h PRO 496 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3jx1 h PRO 496 CO 0.94 0.03 -0.02 0.00 -0.21 0.00 0.00 178.00 178.74 3jx1 h ALA 497 N 1.97 1.13 -0.12 -0.75 0.00 -1.92 -3.15 119.26 116.43 3jx1 h ALA 497 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3jx1 h ALA 497 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3jx1 h ALA 497 CO 0.00 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.37 3jx1 n ASN 498 N -3.30 2.42 -0.06 0.00 3.02 -0.92 -4.67 115.26 111.75 3jx1 n ASN 498 Ca -0.02 -2.18 -0.08 0.00 -0.03 0.00 0.00 54.58 52.27 3jx1 n ASN 498 Cb 0.14 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.15 3jx1 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx1 h VAL 499 N 0.69 0.90 -0.38 2.41 2.07 -1.65 0.26 116.25 120.57 3jx1 h VAL 499 Ca 0.00 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3jx1 h VAL 499 Cb 0.68 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3jx1 h VAL 499 CO 0.01 0.03 0.20 -0.61 0.02 0.00 0.00 177.57 177.23 3jx1 h GLN 500 N 0.17 0.53 -0.49 1.57 4.15 -1.85 -1.15 115.11 118.03 3jx1 h GLN 500 Ca 0.12 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.34 3jx1 h GLN 500 Cb 0.10 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3jx1 h GLN 500 CO -0.14 0.44 -0.20 0.35 -1.93 0.00 0.00 178.83 177.35 3jx1 h PHE 501 N 0.48 1.15 -0.61 3.99 3.57 -1.81 -2.53 116.94 121.18 3jx1 h PHE 501 Ca 0.13 -0.28 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 3jx1 h PHE 501 Cb 0.07 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 3jx1 h PHE 501 CO -0.02 1.11 0.36 1.15 -2.23 0.00 0.00 178.31 178.67 3jx1 h THR 502 N 0.86 1.17 -0.57 4.41 2.02 -0.19 -1.19 112.91 119.43 3jx1 h THR 502 Ca 0.11 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 3jx1 h THR 502 Cb 0.78 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3jx1 h THR 502 CO 0.07 0.18 0.04 -0.33 0.37 0.00 0.00 175.52 175.85 3jx1 h GLU 503 N 0.84 0.98 -0.64 6.66 5.08 -0.95 -2.07 114.58 124.47 3jx1 h GLU 503 Ca 0.22 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3jx1 h GLU 503 Cb -0.02 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3jx1 h GLU 503 CO -0.04 0.96 0.10 0.82 -1.00 0.00 0.00 179.01 179.85 3jx1 h ILE 504 N 0.87 1.26 -0.83 3.13 2.04 -0.94 -0.27 117.51 122.76 3jx1 h ILE 504 Ca 0.17 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 65.03 3jx1 h ILE 504 Cb 0.50 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3jx1 h ILE 504 CO 0.02 0.38 0.55 0.00 0.00 0.00 0.00 178.15 179.10 3jx1 h ILE 506 N 1.10 0.96 0.00 0.00 1.08 -0.80 0.02 117.51 119.87 3jx1 h ILE 506 Ca 0.32 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 3jx1 h ILE 506 Cb -0.08 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 3jx1 h ILE 506 CO -0.09 0.05 0.16 -0.61 -0.69 0.00 0.00 178.15 176.97 3jx1 h GLN 507 N -0.23 0.00 -0.03 2.37 4.15 -0.82 0.47 115.11 121.01 3jx1 h GLN 507 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3jx1 h GLN 507 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3jx1 h GLN 507 CO 0.02 0.00 0.00 1.04 -1.93 0.00 0.00 178.83 177.96 3jx1 n GLN 508 N -2.92 2.19 0.00 1.69 1.13 -0.52 -4.99 117.38 113.95 3jx1 n GLN 508 Ca -0.02 -1.87 0.00 0.00 -1.94 0.00 0.00 57.00 53.16 3jx1 n GLN 508 Cb 0.21 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3jx1 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jx1 n GLY 509 N 1.29 1.01 3.68 1.08 0.00 0.16 -4.96 105.19 107.46 3jx1 n GLY 509 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 3jx1 n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3jx1 n TRP 510 N -0.38 2.26 -3.36 1.61 -0.00 -0.07 -4.96 117.44 112.54 3jx1 n TRP 510 Ca 0.00 0.44 -0.44 0.00 -0.00 0.00 0.00 57.50 57.49 3jx1 n TRP 510 Cb 0.00 -2.47 -0.08 0.00 -0.00 0.00 0.00 31.31 28.77 3jx1 n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3jx1 s LYS 511 N -0.70 3.00 -0.02 5.87 1.02 -1.26 -4.51 119.74 123.14 3jx1 s LYS 511 Ca 0.65 -1.26 -0.27 0.00 0.02 0.00 0.00 55.97 55.12 3jx1 s LYS 511 Cb -0.62 -4.11 -0.04 0.00 -0.52 0.00 0.00 37.83 32.54 3jx1 s LYS 511 CO 0.52 -1.03 0.84 0.00 -0.92 0.00 0.00 175.35 174.76 3jx1 s ALA 512 N 1.78 3.26 -0.21 5.17 0.00 -1.26 -4.92 121.76 125.58 3jx1 s ALA 512 Ca 0.06 0.34 0.24 0.00 0.00 0.00 0.00 51.96 52.60 3jx1 s ALA 512 Cb -0.23 -3.14 1.21 0.00 0.00 0.00 0.00 23.12 20.96 3jx1 s ALA 512 CO 0.08 -0.14 1.73 -1.35 0.00 0.00 0.00 175.76 176.07 3jx1 h PRO 513 N 6.65 0.00 -5.83 0.00 0.11 -1.99 -3.46 132.00 127.49 3jx1 h PRO 513 Ca -0.41 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.32 3jx1 h PRO 513 Cb 1.21 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.44 3jx1 h PRO 513 CO 0.75 0.00 -0.77 0.54 -0.21 0.00 0.00 178.00 178.31 3jx1 n ARG 514 N -2.33 -6.44 -4.05 1.05 5.12 -1.26 -5.02 116.66 103.73 3jx1 n ARG 514 Ca -0.01 0.78 -0.28 0.00 -1.93 0.00 0.00 57.85 56.41 3jx1 n ARG 514 Cb 0.09 -5.70 -0.01 0.00 -1.16 0.00 0.00 32.46 25.68 3jx1 n ARG 514 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3jx1 n GLY 515 N -1.43 2.90 0.22 -0.13 0.00 -1.26 -5.04 105.19 100.45 3jx1 n GLY 515 Ca -0.21 -2.32 0.12 0.00 0.00 0.00 0.00 46.02 43.60 3jx1 n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jx1 h ARG 516 N 0.00 0.00 -1.35 1.61 2.43 -1.92 -3.38 114.38 111.77 3jx1 h ARG 516 Ca -0.37 0.00 -0.42 0.00 -0.81 0.00 0.00 59.98 58.38 3jx1 h ARG 516 Cb 1.30 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.44 3jx1 h ARG 516 CO 0.59 0.02 -1.14 1.19 -1.51 0.00 0.00 179.97 179.12 3jx1 n PHE 517 N -3.10 1.20 -2.87 2.20 3.01 -1.26 -4.16 117.46 112.49 3jx1 n PHE 517 Ca 0.04 -3.13 -0.43 0.00 1.01 0.00 0.00 57.45 54.94 3jx1 n PHE 517 Cb 0.54 -0.37 -0.04 0.00 -0.01 0.00 0.00 39.48 39.60 3jx1 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx1 s ASP 518 N -2.99 6.60 0.09 4.37 1.01 -1.26 -4.90 116.67 119.59 3jx1 s ASP 518 Ca 0.33 0.41 -0.31 0.00 0.71 0.00 0.00 52.55 53.70 3jx1 s ASP 518 Cb 0.42 -2.44 -0.10 0.00 1.01 0.00 0.00 42.92 41.82 3jx1 s ASP 518 CO -0.02 -0.84 1.88 -0.69 0.21 0.00 0.00 175.17 175.71 3jx1 s VAL 519 N 3.38 2.73 0.65 -1.27 1.01 -1.26 -0.10 120.40 125.53 3jx1 s VAL 519 Ca 0.35 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 3jx1 s VAL 519 Cb -0.12 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 3jx1 s VAL 519 CO 0.19 -0.00 1.14 -0.76 0.00 0.00 0.00 175.10 175.67 3jx1 s LEU 520 N 3.42 3.46 0.62 3.92 1.43 0.39 -4.87 118.68 127.05 3jx1 s LEU 520 Ca 0.84 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.96 3jx1 s LEU 520 Cb -0.45 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.17 3jx1 s LEU 520 CO 0.38 -1.69 1.03 -2.16 0.23 0.00 0.00 176.35 174.15 3jx1 s PRO 521 N -3.86 3.53 0.23 1.29 0.04 -1.26 -4.77 135.00 130.21 3jx1 s PRO 521 Ca 0.70 0.71 -0.25 0.00 0.04 0.00 0.00 61.00 62.20 3jx1 s PRO 521 Cb -0.24 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 3jx1 s PRO 521 CO 0.39 -0.60 0.84 -0.51 0.04 0.00 0.00 177.00 177.16 3jx1 s LEU 522 N -5.19 4.49 -0.32 -3.56 1.43 0.80 -4.87 118.68 111.46 3jx1 s LEU 522 Ca 0.55 1.70 0.01 0.00 -1.03 0.00 0.00 54.13 55.36 3jx1 s LEU 522 Cb -0.11 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.60 3jx1 s LEU 522 CO 0.54 0.10 0.02 -0.76 0.23 0.00 0.00 176.35 176.48 3jx1 s LEU 523 N -1.55 4.29 -0.14 1.79 1.43 -1.26 -1.33 118.68 121.91 3jx1 s LEU 523 Ca 0.42 -1.71 -0.03 0.00 -1.03 0.00 0.00 54.13 51.78 3jx1 s LEU 523 Cb -0.21 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3jx1 s LEU 523 CO 0.26 -0.33 -0.06 -0.76 0.23 0.00 0.00 176.35 175.69 3jx1 s LEU 524 N 1.09 3.14 -0.20 1.79 1.43 -0.51 -0.22 118.68 125.19 3jx1 s LEU 524 Ca 0.01 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3jx1 s LEU 524 Cb -0.20 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.29 3jx1 s LEU 524 CO -0.05 0.18 -0.12 -1.58 0.23 0.00 0.00 176.35 175.01 3jx1 s GLN 525 N 0.27 3.10 -0.08 1.70 0.74 -0.04 -0.82 119.66 124.52 3jx1 s GLN 525 Ca -0.04 -0.78 0.00 0.00 0.05 0.00 0.00 55.36 54.59 3jx1 s GLN 525 Cb -0.14 -2.78 -0.03 0.00 1.10 0.00 0.00 33.01 31.15 3jx1 s GLN 525 CO 0.03 -0.23 -0.07 0.00 -0.55 0.00 0.00 175.29 174.47 3jx1 s ALA 526 N 1.36 2.97 -1.49 1.58 0.00 -1.26 -0.73 121.76 124.18 3jx1 s ALA 526 Ca 0.05 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 3jx1 s ALA 526 Cb -0.14 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.71 3jx1 s ALA 526 CO -0.08 0.51 0.12 0.09 0.00 0.00 0.00 175.76 176.40 3jx1 n ASN 527 N 2.44 -5.18 0.00 0.00 3.02 -1.21 -0.50 115.26 113.83 3jx1 n ASN 527 Ca -0.18 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 3jx1 n ASN 527 Cb 0.53 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 3jx1 n ASN 527 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jx1 n GLY 528 N -1.03 0.53 3.68 7.41 0.00 -0.29 -4.50 105.19 110.99 3jx1 n GLY 528 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3jx1 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx1 s ASN 529 N -2.47 2.90 0.32 1.61 0.01 0.34 -4.90 114.94 112.76 3jx1 s ASN 529 Ca 0.00 1.46 -0.29 0.00 -0.71 0.00 0.00 52.86 53.31 3jx1 s ASN 529 Cb 0.00 -2.13 -0.12 0.00 0.41 0.00 0.00 41.25 39.41 3jx1 s ASN 529 CO 0.00 -2.99 1.48 0.47 -1.51 0.00 0.00 177.10 174.54 3jx1 n ASP 530 N -4.11 3.46 -4.78 -1.22 10.43 -1.26 -4.48 116.55 114.58 3jx1 n ASP 530 Ca 0.06 1.18 -0.32 0.00 2.57 0.00 0.00 54.79 58.28 3jx1 n ASP 530 Cb 0.55 -1.56 0.05 0.00 1.84 0.00 0.00 41.12 42.01 3jx1 n ASP 530 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3jx1 s PRO 531 N -1.24 2.80 0.11 -0.24 0.04 -1.26 -4.76 135.00 130.45 3jx1 s PRO 531 Ca 0.60 1.27 0.09 0.00 0.04 0.00 0.00 61.00 63.00 3jx1 s PRO 531 Cb -0.53 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 3jx1 s PRO 531 CO 0.56 -1.24 -0.23 -1.21 0.04 0.00 0.00 177.00 174.92 3jx1 s GLU 532 N -4.34 1.22 0.08 4.56 2.02 -0.00 -4.85 118.70 117.39 3jx1 s GLU 532 Ca 0.64 -1.23 -0.21 0.00 0.02 0.00 0.00 54.97 54.19 3jx1 s GLU 532 Cb -0.18 -1.57 -0.07 0.00 0.10 0.00 0.00 34.13 32.41 3jx1 s GLU 532 CO 0.45 0.37 0.62 -0.51 0.02 0.00 0.00 175.26 176.20 3jx1 s LEU 533 N -1.97 4.52 -0.07 1.80 1.43 -1.26 -1.42 118.68 121.71 3jx1 s LEU 533 Ca 0.09 1.33 -0.06 0.00 -1.03 0.00 0.00 54.13 54.46 3jx1 s LEU 533 Cb -0.10 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 43.15 3jx1 s LEU 533 CO 0.05 0.23 0.19 -0.36 0.23 0.00 0.00 176.35 176.68 3jx1 s PHE 534 N -0.95 -0.21 -0.12 0.29 0.40 -0.45 -4.96 117.98 111.98 3jx1 s PHE 534 Ca 0.31 0.52 -0.17 0.00 -0.60 0.00 0.00 56.93 56.98 3jx1 s PHE 534 Cb -0.20 0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.34 3jx1 s PHE 534 CO 0.20 -0.12 0.45 -1.14 0.70 0.00 0.00 175.22 175.32 3jx1 s GLN 535 N 0.30 4.33 0.21 0.44 0.74 -1.26 -0.14 119.66 124.28 3jx1 s GLN 535 Ca -0.02 0.40 -0.31 0.00 0.05 0.00 0.00 55.36 55.48 3jx1 s GLN 535 Cb -0.03 -3.43 -0.10 0.00 1.10 0.00 0.00 33.01 30.55 3jx1 s GLN 535 CO -0.01 0.17 1.50 0.42 -0.55 0.00 0.00 175.29 176.82 3jx1 s ILE 536 N 0.59 2.63 -0.08 -2.34 1.01 -1.26 -4.92 121.20 116.83 3jx1 s ILE 536 Ca 0.25 0.49 -0.36 0.00 0.00 0.00 0.00 60.65 61.02 3jx1 s ILE 536 Cb -0.15 -3.31 -0.14 0.00 0.01 0.00 0.00 42.46 38.87 3jx1 s ILE 536 CO 0.09 0.06 1.69 -2.65 0.00 0.00 0.00 174.94 174.14 3jx1 n PRO 537 N 3.04 1.67 -0.20 2.79 -0.02 -1.26 -4.82 135.00 136.19 3jx1 n PRO 537 Ca 0.10 0.61 0.18 0.00 -2.02 0.00 0.00 63.50 62.37 3jx1 n PRO 537 Cb 0.39 -2.35 0.52 0.00 -0.02 0.00 0.00 33.50 32.05 3jx1 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jx1 h PRO 538 N 7.21 0.37 0.00 0.52 0.11 -1.94 0.24 132.00 138.50 3jx1 h PRO 538 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jx1 h PRO 538 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3jx1 h PRO 538 CO 0.91 0.24 0.00 -0.85 -0.21 0.00 0.00 178.00 178.10 3jx1 n GLU 539 N -4.48 0.10 0.07 1.05 0.00 -1.26 -1.62 120.64 114.50 3jx1 n GLU 539 Ca 0.17 0.40 0.12 0.00 0.00 0.00 0.00 57.16 57.84 3jx1 n GLU 539 Cb 0.65 -1.71 0.07 0.00 0.00 0.00 0.00 31.44 30.44 3jx1 n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3jx1 n LEU 540 N -1.90 0.75 -4.39 -1.84 4.77 0.84 -4.73 117.00 110.50 3jx1 n LEU 540 Ca 0.02 0.23 -0.45 0.00 -0.03 0.00 0.00 56.01 55.79 3jx1 n LEU 540 Cb 0.16 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 3jx1 n LEU 540 CO 0.14 -0.10 0.54 -0.69 -1.33 0.00 0.00 177.39 175.95 3jx1 s VAL 541 N -3.27 4.84 -0.07 4.08 1.01 -0.64 -4.78 120.40 121.57 3jx1 s VAL 541 Ca 0.03 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 3jx1 s VAL 541 Cb 0.12 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 3jx1 s VAL 541 CO 0.77 -1.22 1.34 -0.22 0.00 0.00 0.00 175.10 175.77 3jx1 s LEU 542 N 2.56 4.27 0.22 3.92 2.96 -1.26 -5.00 118.68 126.35 3jx1 s LEU 542 Ca 0.17 1.92 0.11 0.00 -0.22 0.00 0.00 54.13 56.12 3jx1 s LEU 542 Cb -0.19 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 3jx1 s LEU 542 CO 0.02 -0.72 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.50 3jx1 s GLU 543 N 2.88 1.56 -0.21 1.98 2.02 -1.26 -0.64 118.70 125.02 3jx1 s GLU 543 Ca 0.60 -1.61 0.02 0.00 0.02 0.00 0.00 54.97 54.00 3jx1 s GLU 543 Cb -0.27 -1.77 0.04 0.00 0.10 0.00 0.00 34.13 32.23 3jx1 s GLU 543 CO 0.22 0.36 -0.13 0.08 0.02 0.00 0.00 175.26 175.81 3jx1 s VAL 544 N -2.03 1.91 0.29 2.63 1.01 0.16 -4.88 120.40 119.50 3jx1 s VAL 544 Ca 0.24 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 3jx1 s VAL 544 Cb -0.07 -1.93 -0.10 0.00 0.00 0.00 0.00 36.38 34.28 3jx1 s VAL 544 CO 0.11 0.20 1.40 -2.16 0.00 0.00 0.00 175.10 174.65 3jx1 s PRO 545 N 1.28 4.28 -0.34 2.72 0.04 -1.26 -1.69 135.00 140.03 3jx1 s PRO 545 Ca -0.02 2.30 -0.14 0.00 0.04 0.00 0.00 61.00 63.18 3jx1 s PRO 545 Cb -0.17 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 3jx1 s PRO 545 CO -0.08 -0.35 0.28 0.42 0.04 0.00 0.00 177.00 177.31 3jx1 s ILE 546 N -0.56 5.25 0.28 0.56 -1.09 0.36 -4.85 121.20 121.14 3jx1 s ILE 546 Ca 0.55 -0.13 0.08 0.00 -2.23 0.00 0.00 60.65 58.92 3jx1 s ILE 546 Cb -0.42 -3.75 -0.06 0.00 -1.58 0.00 0.00 42.46 36.65 3jx1 s ILE 546 CO 0.49 -0.04 -0.11 0.00 -1.23 0.00 0.00 174.94 174.05 3jx1 s ARG 547 N 1.82 1.59 -0.10 2.79 3.03 -1.26 -4.14 118.95 122.69 3jx1 s ARG 547 Ca 0.08 -1.78 -0.01 0.00 2.03 0.00 0.00 55.73 56.05 3jx1 s ARG 547 Cb -0.17 -1.38 -0.03 0.00 -1.03 0.00 0.00 34.95 32.34 3jx1 s ARG 547 CO 0.11 0.14 -0.05 -1.58 -1.13 0.00 0.00 175.30 172.79 3jx1 s HIS 548 N -2.82 3.00 0.41 5.89 2.46 -1.26 -4.43 115.29 118.54 3jx1 s HIS 548 Ca 0.29 -0.05 0.23 0.00 0.47 0.00 0.00 55.06 56.00 3jx1 s HIS 548 Cb 0.01 -1.80 1.29 0.00 -0.13 0.00 0.00 32.58 31.95 3jx1 s HIS 548 CO 0.12 0.24 2.03 -1.00 -2.47 0.00 0.00 174.74 173.67 3jx1 h PRO 549 N 5.67 0.00 0.00 2.88 0.13 -1.92 -3.26 132.00 135.50 3jx1 h PRO 549 Ca -0.44 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.38 3jx1 h PRO 549 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 3jx1 h PRO 549 CO 0.56 0.15 -2.19 1.63 -0.23 0.00 0.00 178.00 177.92 3jx1 n LYS 550 N -3.82 0.93 -3.38 0.86 5.02 -1.26 -4.93 118.16 111.59 3jx1 n LYS 550 Ca -0.02 0.05 -0.44 0.00 -2.02 0.00 0.00 58.31 55.89 3jx1 n LYS 550 Cb 0.26 -1.43 -0.08 0.00 -0.02 0.00 0.00 35.03 33.75 3jx1 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx1 s PHE 551 N -2.42 3.21 0.27 2.13 2.99 -1.23 -4.96 117.98 117.97 3jx1 s PHE 551 Ca -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 56.93 56.03 3jx1 s PHE 551 Cb 0.06 -3.01 0.59 0.00 0.00 0.00 0.00 43.02 40.66 3jx1 s PHE 551 CO 0.60 -0.75 1.73 -0.44 -0.00 0.00 0.00 175.22 176.36 3jx1 h ASP 552 N 8.74 0.41 1.03 1.36 5.19 -1.92 -2.82 116.42 128.42 3jx1 h ASP 552 Ca -0.28 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 3jx1 h ASP 552 Cb 1.11 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.69 3jx1 h ASP 552 CO 0.84 0.12 0.00 4.11 -3.12 0.00 0.00 179.24 181.19 3jx1 h TRP 553 N 0.51 0.00 -0.82 4.55 5.08 -1.95 -3.33 115.95 119.99 3jx1 h TRP 553 Ca 0.49 0.00 0.08 0.00 1.08 0.00 0.00 58.89 60.54 3jx1 h TRP 553 Cb 0.80 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.89 3jx1 h TRP 553 CO -0.12 0.00 0.48 0.35 -1.28 0.00 0.00 178.44 177.87 3jx1 h PHE 554 N 0.00 0.89 -0.97 0.12 3.57 -1.87 -1.44 116.94 117.24 3jx1 h PHE 554 Ca 0.00 0.03 0.22 0.00 3.53 0.00 0.00 57.97 61.75 3jx1 h PHE 554 Cb 0.51 -0.28 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 3jx1 h PHE 554 CO 0.00 0.40 0.62 1.57 -2.23 0.00 0.00 178.31 178.68 3jx1 h LYS 555 N 0.85 0.46 0.00 1.11 2.10 -1.72 -1.90 116.57 117.48 3jx1 h LYS 555 Ca 0.38 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 3jx1 h LYS 555 Cb 0.27 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3jx1 h LYS 555 CO -0.21 0.31 0.00 -0.25 -2.00 0.00 0.00 179.45 177.30 3jx1 n ASP 556 N -4.59 0.00 0.19 7.07 8.00 -0.54 -2.33 116.55 124.35 3jx1 n ASP 556 Ca 0.22 -0.54 0.14 0.00 0.71 0.00 0.00 54.79 55.32 3jx1 n ASP 556 Cb 0.72 -0.12 0.55 0.00 -0.02 0.00 0.00 41.12 42.25 3jx1 n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jx1 h LEU 557 N 0.00 0.00 0.00 0.64 3.38 -1.46 -3.47 115.31 114.40 3jx1 h LEU 557 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jx1 h LEU 557 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3jx1 h LEU 557 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3jx1 n GLY 558 N 0.13 0.51 3.81 0.83 0.00 -0.98 -5.04 105.19 104.46 3jx1 n GLY 558 Ca 0.02 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 3jx1 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx1 s LEU 559 N 0.00 4.52 0.12 0.99 1.43 -1.26 -5.02 118.68 119.46 3jx1 s LEU 559 Ca 0.00 1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 54.24 3jx1 s LEU 559 Cb 0.00 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.29 3jx1 s LEU 559 CO 0.00 0.26 0.34 -1.59 0.23 0.00 0.00 176.35 175.59 3jx1 s LYS 560 N -1.17 1.03 0.14 1.70 -2.85 -1.26 -0.49 119.74 116.84 3jx1 s LYS 560 Ca 0.30 -0.82 -0.01 0.00 -1.00 0.00 0.00 55.97 54.44 3jx1 s LYS 560 Cb -0.19 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 3jx1 s LYS 560 CO 0.19 -0.39 0.05 -0.46 0.10 0.00 0.00 175.35 174.85 3jx1 s TRP 561 N -3.84 0.92 0.32 1.78 -0.11 -0.68 -4.94 118.94 112.39 3jx1 s TRP 561 Ca 0.05 -1.21 -0.13 0.00 1.22 0.00 0.00 56.10 56.03 3jx1 s TRP 561 Cb 0.03 -0.51 -0.08 0.00 -1.50 0.00 0.00 33.47 31.40 3jx1 s TRP 561 CO -0.10 -0.48 0.70 1.52 -4.62 0.00 0.00 176.95 173.96 3jx1 s TYR 562 N -4.00 3.40 -0.26 5.86 -0.85 -1.26 0.37 117.35 120.61 3jx1 s TYR 562 Ca 0.25 1.10 0.18 0.00 -0.52 0.00 0.00 57.07 58.08 3jx1 s TYR 562 Cb 0.07 -2.45 0.15 0.00 0.38 0.00 0.00 41.96 40.12 3jx1 s TYR 562 CO 0.02 0.10 1.45 0.78 -1.52 0.00 0.00 175.55 176.39 3jx1 h GLY 563 N 2.13 0.00 -7.44 5.49 0.00 -1.22 -3.45 103.07 98.58 3jx1 h GLY 563 Ca -0.48 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.13 3jx1 h GLY 563 CO 0.66 0.00 -0.44 -2.27 0.00 0.00 0.00 176.54 174.49 3jx1 s LEU 564 N -6.28 5.20 -0.20 3.11 2.96 -1.26 -4.56 118.68 117.64 3jx1 s LEU 564 Ca 0.04 -1.35 -0.26 0.00 -0.22 0.00 0.00 54.13 52.35 3jx1 s LEU 564 Cb 0.07 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 3jx1 s LEU 564 CO 0.72 -0.54 0.88 -2.16 -1.32 0.00 0.00 176.35 173.94 3jx1 s PRO 565 N 1.51 4.26 -0.34 0.98 0.04 -1.26 -4.73 135.00 135.47 3jx1 s PRO 565 Ca 0.03 1.08 -0.00 0.00 0.04 0.00 0.00 61.00 62.15 3jx1 s PRO 565 Cb -0.23 -3.61 0.14 0.00 0.04 0.00 0.00 34.50 30.84 3jx1 s PRO 565 CO 0.04 -0.44 0.23 0.00 0.04 0.00 0.00 177.00 176.87 3jx1 s ALA 566 N 2.55 0.55 -0.09 8.56 0.00 -1.26 -2.87 121.76 129.20 3jx1 s ALA 566 Ca 0.39 -1.48 -0.30 0.00 0.00 0.00 0.00 51.96 50.57 3jx1 s ALA 566 Cb -0.16 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 3jx1 s ALA 566 CO 0.10 -2.01 1.21 0.08 0.00 0.00 0.00 175.76 175.14 3jx1 s VAL 567 N 1.39 4.27 0.00 0.00 1.01 0.64 -0.71 120.40 127.01 3jx1 s VAL 567 Ca 0.16 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.72 3jx1 s VAL 567 Cb -0.20 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.16 3jx1 s VAL 567 CO -0.08 -0.04 0.68 -1.54 0.00 0.00 0.00 175.10 174.11 3jx1 n SER 568 N 5.57 1.24 -0.83 3.32 3.41 -0.13 -1.70 113.62 124.50 3jx1 n SER 568 Ca 0.12 -1.44 0.09 0.00 -0.26 0.00 0.00 58.87 57.37 3jx1 n SER 568 Cb 0.46 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.56 3jx1 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx1 n ASN 569 N -0.22 2.90 -4.96 4.04 6.94 -1.21 -4.35 115.26 118.39 3jx1 n ASN 569 Ca 0.00 -1.85 -0.22 0.00 -0.02 0.00 0.00 54.58 52.49 3jx1 n ASN 569 Cb 0.19 -0.17 0.02 0.00 -2.36 0.00 0.00 39.78 37.46 3jx1 n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3jx1 s MET 570 N -1.23 2.92 -0.17 -3.83 -1.94 -1.26 -3.70 119.30 110.09 3jx1 s MET 570 Ca 0.27 -0.64 -0.00 0.00 -1.71 0.00 0.00 55.69 53.62 3jx1 s MET 570 Cb 0.16 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.44 3jx1 s MET 570 CO 0.23 -0.36 -0.15 -1.17 -0.01 0.00 0.00 175.02 173.55 3jx1 s LEU 571 N -4.57 2.44 -0.18 -0.03 0.20 0.51 -4.42 118.68 112.62 3jx1 s LEU 571 Ca 0.51 -0.51 -0.22 0.00 0.69 0.00 0.00 54.13 54.60 3jx1 s LEU 571 Cb -0.10 -1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 44.07 3jx1 s LEU 571 CO 0.37 0.04 0.66 -0.22 -0.29 0.00 0.00 176.35 176.92 3jx1 s LEU 572 N 1.06 4.17 -0.20 -0.68 2.96 -0.43 -0.24 118.68 125.32 3jx1 s LEU 572 Ca -0.01 0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 54.79 3jx1 s LEU 572 Cb -0.14 -2.95 -0.01 0.00 0.50 0.00 0.00 46.19 43.59 3jx1 s LEU 572 CO -0.04 -0.27 -0.07 -0.70 -1.32 0.00 0.00 176.35 173.95 3jx1 s GLU 573 N 1.81 3.35 -0.10 1.98 2.12 -0.34 0.29 118.70 127.81 3jx1 s GLU 573 Ca 0.31 -0.65 0.01 0.00 0.36 0.00 0.00 54.97 55.00 3jx1 s GLU 573 Cb -0.16 -2.92 0.02 0.00 0.26 0.00 0.00 34.13 31.33 3jx1 s GLU 573 CO 0.11 -0.13 -0.10 0.42 -0.54 0.00 0.00 175.26 175.02 3jx1 s ILE 574 N 1.28 1.14 -1.42 -3.70 1.01 -0.28 -2.02 121.20 117.21 3jx1 s ILE 574 Ca 0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.16 3jx1 s ILE 574 Cb -0.14 -1.10 0.07 0.00 0.01 0.00 0.00 42.46 41.30 3jx1 s ILE 574 CO -0.03 0.37 0.65 0.61 0.00 0.00 0.00 174.94 176.55 3jx1 n GLY 575 N 4.43 -0.49 3.01 6.18 0.00 -1.26 -0.33 105.19 116.73 3jx1 n GLY 575 Ca -0.17 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3jx1 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx1 n GLY 576 N -1.37 2.72 3.82 -0.02 0.00 -1.26 -3.19 105.19 105.89 3jx1 n GLY 576 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3jx1 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx1 s LEU 577 N 0.00 4.27 -0.22 0.99 1.43 0.55 -5.01 118.68 120.70 3jx1 s LEU 577 Ca 0.00 1.44 0.01 0.00 -1.03 0.00 0.00 54.13 54.54 3jx1 s LEU 577 Cb 0.00 -3.76 0.03 0.00 0.03 0.00 0.00 46.19 42.49 3jx1 s LEU 577 CO 0.00 -0.04 -0.14 -1.61 0.23 0.00 0.00 176.35 174.79 3jx1 s GLU 578 N -2.23 2.79 -0.51 1.70 2.02 -1.26 -1.13 118.70 120.08 3jx1 s GLU 578 Ca 0.47 -0.98 -0.11 0.00 0.02 0.00 0.00 54.97 54.36 3jx1 s GLU 578 Cb -0.15 -2.77 0.13 0.00 0.10 0.00 0.00 34.13 31.43 3jx1 s GLU 578 CO 0.20 -0.34 0.41 -0.06 0.02 0.00 0.00 175.26 175.49 3jx1 s PHE 579 N 1.26 3.39 -0.79 1.61 0.40 0.14 0.16 117.98 124.16 3jx1 s PHE 579 Ca 0.00 -1.73 0.26 0.00 -0.60 0.00 0.00 56.93 54.87 3jx1 s PHE 579 Cb -0.16 -3.60 0.94 0.00 0.51 0.00 0.00 43.02 40.71 3jx1 s PHE 579 CO -0.08 -1.00 1.80 -1.13 0.70 0.00 0.00 175.22 175.51 3jx1 n SER 580 N 4.93 0.55 -3.77 1.36 3.41 -1.26 -1.31 113.62 117.54 3jx1 n SER 580 Ca -0.08 0.56 -0.27 0.00 -0.26 0.00 0.00 58.87 58.81 3jx1 n SER 580 Cb 0.41 -0.71 -0.16 0.00 -0.26 0.00 0.00 64.21 63.49 3jx1 n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jx1 s ALA 581 N -3.09 1.08 -0.42 7.33 0.00 -1.14 -4.64 121.76 120.89 3jx1 s ALA 581 Ca 0.11 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.45 3jx1 s ALA 581 Cb 0.14 -1.16 0.36 0.00 0.00 0.00 0.00 23.12 22.46 3jx1 s ALA 581 CO 0.55 -1.08 1.20 0.00 0.00 0.00 0.00 175.76 176.43 3jx1 n PRO 583 N -0.11 2.03 -4.18 0.00 -0.04 -1.17 -4.65 135.00 126.89 3jx1 n PRO 583 Ca 0.03 0.72 -0.11 0.00 -0.04 0.00 0.00 63.50 64.10 3jx1 n PRO 583 Cb 0.77 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.76 3jx1 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jx1 s PHE 584 N -0.15 0.94 -0.02 0.54 -0.12 -0.69 -1.18 117.98 117.30 3jx1 s PHE 584 Ca 0.67 -0.86 -0.17 0.00 -0.05 0.00 0.00 56.93 56.52 3jx1 s PHE 584 Cb -0.64 -0.53 0.03 0.00 -0.63 0.00 0.00 43.02 41.24 3jx1 s PHE 584 CO 0.51 -0.11 0.35 -1.54 -0.05 0.00 0.00 175.22 174.38 3jx1 s SER 585 N -2.98 -0.25 0.00 1.98 1.04 -0.40 -0.26 113.70 112.83 3jx1 s SER 585 Ca 0.11 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.71 3jx1 s SER 585 Cb 0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3jx1 s SER 585 CO -0.04 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.33 3jx1 n GLY 586 N 1.24 3.03 3.35 7.32 0.00 -1.14 -2.08 105.19 116.91 3jx1 n GLY 586 Ca -0.21 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 3jx1 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx1 s TRP 587 N 2.39 -0.32 0.42 1.61 -2.14 -1.26 -4.61 118.94 115.03 3jx1 s TRP 587 Ca 0.00 0.10 -0.23 0.00 2.66 0.00 0.00 56.10 58.64 3jx1 s TRP 587 Cb 0.00 0.34 -0.09 0.00 -3.10 0.00 0.00 33.47 30.61 3jx1 s TRP 587 CO 0.00 -0.72 1.02 0.71 -2.66 0.00 0.00 176.95 175.30 3jx1 s TYR 588 N -3.49 3.23 -0.02 1.66 1.51 -1.26 -4.90 117.35 114.08 3jx1 s TYR 588 Ca 0.01 1.63 -0.17 0.00 -1.01 0.00 0.00 57.07 57.53 3jx1 s TYR 588 Cb 0.01 -3.04 -0.05 0.00 -0.11 0.00 0.00 41.96 38.76 3jx1 s TYR 588 CO -0.10 -0.52 0.46 1.41 -1.11 0.00 0.00 175.55 175.69 3jx1 s MET 589 N -2.79 4.10 0.30 -0.62 -2.45 -1.26 -1.25 119.30 115.34 3jx1 s MET 589 Ca 0.61 0.50 0.02 0.00 -1.25 0.00 0.00 55.69 55.57 3jx1 s MET 589 Cb -0.18 -3.29 0.59 0.00 1.25 0.00 0.00 34.83 33.21 3jx1 s MET 589 CO 0.22 0.53 1.87 0.78 1.05 0.00 0.00 175.02 179.48 3jx1 h GLY 590 N 5.24 1.44 1.91 2.11 0.00 -1.16 -1.90 103.07 110.71 3jx1 h GLY 590 Ca -0.48 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 46.46 3jx1 h GLY 590 CO 0.66 0.21 0.03 -0.91 0.00 0.00 0.00 176.54 176.53 3jx1 h THR 591 N 0.96 0.74 -0.48 4.70 1.35 -1.94 -0.63 112.91 117.61 3jx1 h THR 591 Ca 0.45 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.34 3jx1 h THR 591 Cb 0.41 0.98 -0.04 0.00 -1.73 0.00 0.00 68.15 67.77 3jx1 h THR 591 CO -0.21 0.00 0.25 -0.33 -0.25 0.00 0.00 175.52 174.98 3jx1 h GLU 592 N 0.00 0.48 0.09 4.72 5.08 -1.75 0.83 114.58 124.02 3jx1 h GLU 592 Ca 0.02 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3jx1 h GLU 592 Cb 0.08 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3jx1 h GLU 592 CO -0.00 0.32 -0.04 0.82 -1.00 0.00 0.00 179.01 179.10 3jx1 h ILE 593 N 0.49 0.44 -0.07 3.13 2.04 -1.59 -1.79 117.51 120.17 3jx1 h ILE 593 Ca 0.20 -1.19 -0.13 0.00 1.00 0.00 0.00 64.86 64.75 3jx1 h ILE 593 Cb 0.09 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3jx1 h ILE 593 CO -0.13 0.14 -0.55 1.23 0.00 0.00 0.00 178.15 178.83 3jx1 h GLY 594 N -1.00 0.23 0.00 5.37 0.00 -1.15 -0.67 103.07 105.85 3jx1 h GLY 594 Ca -0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 3jx1 h GLY 594 CO 0.02 0.24 -1.30 -0.62 0.00 0.00 0.00 176.54 174.89 3jx1 n VAL 595 N -3.91 1.50 -0.05 4.60 0.31 0.23 -4.12 118.33 116.89 3jx1 n VAL 595 Ca -0.02 -0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.29 3jx1 n VAL 595 Cb 0.58 -2.15 -0.01 0.00 -0.91 0.00 0.00 33.84 31.35 3jx1 n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3jx1 h ARG 596 N -1.00 -0.00 -0.57 5.55 2.47 -1.37 -2.30 114.38 117.16 3jx1 h ARG 596 Ca -0.28 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.36 3jx1 h ARG 596 Cb 1.11 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.41 3jx1 h ARG 596 CO -0.17 0.06 0.05 -0.91 0.56 0.00 0.00 179.97 179.56 3jx1 h ASN 597 N -1.00 0.92 0.39 7.04 2.35 -1.06 -1.97 115.58 122.25 3jx1 h ASN 597 Ca -0.00 -0.22 -0.31 0.00 -0.55 0.00 0.00 56.30 55.21 3jx1 h ASN 597 Cb 0.07 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3jx1 h ASN 597 CO 0.00 0.95 -1.72 1.88 -1.65 0.00 0.00 177.43 176.89 3jx1 h TYR 598 N 0.89 0.27 0.00 1.19 0.99 -1.31 -2.01 116.97 117.00 3jx1 h TYR 598 Ca 0.17 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3jx1 h TYR 598 Cb 0.46 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.18 3jx1 h TYR 598 CO 0.03 1.34 -1.16 0.00 -0.00 0.00 0.00 178.16 178.37 3jx1 n ASP 600 N -1.67 2.04 0.02 0.00 9.92 -0.74 -4.62 116.55 121.49 3jx1 n ASP 600 Ca -0.01 1.15 0.07 0.00 -0.53 0.00 0.00 54.79 55.48 3jx1 n ASP 600 Cb 0.25 -1.34 0.49 0.00 -0.64 0.00 0.00 41.12 39.88 3jx1 n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3jx1 h ASN 601 N 3.48 0.36 -0.24 -2.24 2.35 -1.93 -1.27 115.58 116.10 3jx1 h ASN 601 Ca -0.44 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3jx1 h ASN 601 Cb 1.31 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.60 3jx1 h ASN 601 CO 0.71 0.25 0.00 -1.54 -1.65 0.00 0.00 177.43 175.19 3jx1 n SER 602 N -4.48 1.36 0.00 5.81 3.41 -1.26 -4.70 113.62 113.77 3jx1 n SER 602 Ca 0.04 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 3jx1 n SER 602 Cb 0.17 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3jx1 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jx1 n ARG 603 N 0.22 2.51 0.23 4.33 5.12 -0.49 -4.33 116.66 124.24 3jx1 n ARG 603 Ca 0.10 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.18 3jx1 n ARG 603 Cb 0.23 0.00 0.60 0.00 -1.16 0.00 0.00 32.46 32.12 3jx1 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx1 h TYR 604 N 0.00 0.00 -6.35 -1.55 -1.99 -1.51 -3.42 116.97 102.15 3jx1 h TYR 604 Ca 0.00 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.26 3jx1 h TYR 604 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 3jx1 h TYR 604 CO 0.00 0.00 -0.87 -1.71 -0.00 0.00 0.00 178.16 175.58 3jx1 n ASN 605 N -2.85 -0.80 -0.65 3.88 5.15 -0.10 -4.87 115.26 115.02 3jx1 n ASN 605 Ca 0.01 -0.95 0.11 0.00 -0.60 0.00 0.00 54.58 53.16 3jx1 n ASN 605 Cb 0.30 -3.39 0.35 0.00 -0.53 0.00 0.00 39.78 36.51 3jx1 n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 3jx1 n ILE 606 N -4.35 0.23 0.09 -1.44 -5.35 0.18 -4.46 119.36 104.26 3jx1 n ILE 606 Ca -0.30 -0.40 -0.12 0.00 -0.27 0.00 0.00 62.75 61.66 3jx1 n ILE 606 Cb 0.68 0.49 -0.05 0.00 -1.74 0.00 0.00 39.64 39.02 3jx1 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx1 h LEU 607 N 2.61 -0.56 -0.61 7.28 3.38 -1.88 -2.13 115.31 123.40 3jx1 h LEU 607 Ca 0.00 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.17 3jx1 h LEU 607 Cb 0.57 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 3jx1 h LEU 607 CO 0.00 -0.27 0.06 -0.33 0.09 0.00 0.00 178.44 177.99 3jx1 h GLU 608 N -0.35 0.17 -0.59 1.13 5.08 -1.99 -1.33 114.58 116.69 3jx1 h GLU 608 Ca 0.04 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3jx1 h GLU 608 Cb 0.39 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3jx1 h GLU 608 CO -0.14 0.11 -0.04 0.93 -1.00 0.00 0.00 179.01 178.88 3jx1 h GLU 609 N 0.18 1.07 -0.17 2.33 5.08 -1.76 -2.71 114.58 118.61 3jx1 h GLU 609 Ca 0.32 -0.36 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3jx1 h GLU 609 Cb 0.51 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3jx1 h GLU 609 CO -0.47 1.06 -0.14 0.28 -1.00 0.00 0.00 179.01 178.74 3jx1 h VAL 610 N 0.97 1.33 -0.72 3.13 2.07 -1.06 -2.90 116.25 119.08 3jx1 h VAL 610 Ca 0.16 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.43 3jx1 h VAL 610 Cb 0.60 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 3jx1 h VAL 610 CO 0.04 0.38 0.47 0.00 0.02 0.00 0.00 177.57 178.48 3jx1 h ALA 611 N 0.63 1.56 -0.57 1.67 0.00 -1.25 -1.03 119.26 120.29 3jx1 h ALA 611 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3jx1 h ALA 611 Cb 0.66 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3jx1 h ALA 611 CO 0.04 0.37 0.13 0.87 0.00 0.00 0.00 179.25 180.65 3jx1 h LYS 612 N 0.89 0.88 0.00 0.00 1.57 -1.46 -2.33 116.57 116.13 3jx1 h LYS 612 Ca 0.28 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3jx1 h LYS 612 Cb 0.02 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3jx1 h LYS 612 CO -0.08 0.80 -0.03 0.87 -0.57 0.00 0.00 179.45 180.44 3jx1 h LYS 613 N 0.84 0.00 -0.00 3.15 1.57 -1.03 -2.74 116.57 118.37 3jx1 h LYS 613 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3jx1 h LYS 613 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3jx1 h LYS 613 CO 0.00 0.03 -0.16 -1.33 -0.57 0.00 0.00 179.45 177.42 3jx1 n MET 614 N -3.11 0.56 -3.61 3.15 2.81 -0.53 -4.95 117.12 111.44 3jx1 n MET 614 Ca 0.03 -0.21 -0.26 0.00 -1.81 0.00 0.00 57.70 55.45 3jx1 n MET 614 Cb 0.49 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.56 3jx1 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx1 n ASP 615 N -1.03 -5.79 -4.85 7.83 -0.08 -0.91 -4.98 116.55 106.73 3jx1 n ASP 615 Ca 0.12 -0.57 -0.32 0.00 -1.51 0.00 0.00 54.79 52.52 3jx1 n ASP 615 Cb 0.30 -4.59 -0.05 0.00 2.34 0.00 0.00 41.12 39.12 3jx1 n ASP 615 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3jx1 s LEU 616 N -7.19 3.87 -0.54 -2.67 1.43 -0.99 -5.02 118.68 107.57 3jx1 s LEU 616 Ca 0.57 1.34 -0.28 0.00 -1.03 0.00 0.00 54.13 54.73 3jx1 s LEU 616 Cb -0.26 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 41.78 3jx1 s LEU 616 CO 0.70 -0.38 1.14 -0.62 0.23 0.00 0.00 176.35 177.43 3jx1 s ASP 617 N -2.75 6.50 -0.04 2.29 2.15 -1.26 -4.82 116.67 118.74 3jx1 s ASP 617 Ca 0.55 0.20 0.13 0.00 0.43 0.00 0.00 52.55 53.86 3jx1 s ASP 617 Cb -0.10 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.43 3jx1 s ASP 617 CO 0.25 -1.37 1.33 0.23 -0.17 0.00 0.00 175.17 175.44 3jx1 n MET 618 N 8.11 2.47 0.17 4.34 2.81 -1.26 -4.44 117.12 129.31 3jx1 n MET 618 Ca 0.09 -1.78 0.04 0.00 -1.81 0.00 0.00 57.70 54.24 3jx1 n MET 618 Cb 0.49 -1.53 0.20 0.00 -0.71 0.00 0.00 33.22 31.67 3jx1 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jx1 h ARG 619 N 2.70 0.00 -3.58 0.03 3.08 -2.03 -3.45 114.38 111.12 3jx1 h ARG 619 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 3jx1 h ARG 619 Cb 0.85 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.65 3jx1 h ARG 619 CO 0.08 0.45 -0.60 -1.59 -1.07 0.00 0.00 179.97 177.24 3jx1 s LYS 620 N -3.31 0.21 0.41 0.04 -2.85 -1.26 -5.04 119.74 107.92 3jx1 s LYS 620 Ca 0.02 -0.08 0.08 0.00 -1.00 0.00 0.00 55.97 54.98 3jx1 s LYS 620 Cb 0.10 0.09 0.85 0.00 -2.06 0.00 0.00 37.83 36.80 3jx1 s LYS 620 CO 0.71 -0.04 2.03 1.79 0.10 0.00 0.00 175.35 179.94 3jx1 h THR 621 N 4.82 1.12 0.00 3.79 1.35 -1.93 -2.96 112.91 119.09 3jx1 h THR 621 Ca -0.27 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3jx1 h THR 621 Cb 1.20 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 3jx1 h THR 621 CO 0.44 0.13 0.00 -1.54 -0.25 0.00 0.00 175.52 174.30 3jx1 n SER 622 N -4.43 0.27 0.00 5.36 3.41 -1.26 -1.29 113.62 115.67 3jx1 n SER 622 Ca 0.02 0.57 0.09 0.00 -0.26 0.00 0.00 58.87 59.29 3jx1 n SER 622 Cb 0.11 -0.63 0.52 0.00 -0.26 0.00 0.00 64.21 63.94 3jx1 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx1 n SER 623 N -1.80 0.00 -3.73 4.04 3.41 -1.12 -4.90 113.62 109.52 3jx1 n SER 623 Ca 0.02 -0.38 -0.28 0.00 -0.26 0.00 0.00 58.87 57.98 3jx1 n SER 623 Cb 0.17 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 3jx1 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jx1 n LEU 624 N -1.09 -1.34 -0.29 1.04 4.77 -0.41 -4.87 117.00 114.79 3jx1 n LEU 624 Ca 0.12 -0.62 -0.04 0.00 -0.03 0.00 0.00 56.01 55.44 3jx1 n LEU 624 Cb 0.09 -1.93 0.11 0.00 -2.33 0.00 0.00 43.42 39.36 3jx1 n LEU 624 CO 0.11 0.18 1.13 4.11 -1.33 0.00 0.00 177.39 181.59 3jx1 h TRP 625 N -1.03 1.17 -0.70 -1.77 5.08 -1.84 -1.01 115.95 115.85 3jx1 h TRP 625 Ca -0.46 -0.05 0.05 0.00 1.08 0.00 0.00 58.89 59.51 3jx1 h TRP 625 Cb 1.31 -0.37 -0.05 0.00 -3.00 0.00 0.00 29.16 27.05 3jx1 h TRP 625 CO 0.69 0.83 0.42 0.87 -1.28 0.00 0.00 178.44 179.97 3jx1 h LYS 626 N 1.17 0.76 -0.43 0.12 1.57 -1.89 -1.35 116.57 116.52 3jx1 h LYS 626 Ca 0.29 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 3jx1 h LYS 626 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3jx1 h LYS 626 CO -0.04 0.50 -0.26 -0.44 -0.57 0.00 0.00 179.45 178.65 3jx1 h ASP 627 N 0.79 0.97 -0.04 0.86 5.19 -1.74 -0.20 116.42 122.26 3jx1 h ASP 627 Ca 0.30 -0.42 -0.00 0.00 -0.62 0.00 0.00 57.03 56.28 3jx1 h ASP 627 Cb 0.11 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 3jx1 h ASP 627 CO -0.15 1.18 0.01 1.56 -3.12 0.00 0.00 179.24 178.72 3jx1 h GLN 628 N 0.77 0.06 -0.88 3.56 4.20 -1.05 -2.29 115.11 119.48 3jx1 h GLN 628 Ca 0.09 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.81 3jx1 h GLN 628 Cb 0.84 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.56 3jx1 h GLN 628 CO 0.07 0.27 0.58 0.00 -0.67 0.00 0.00 178.83 179.08 3jx1 h ALA 629 N 0.79 1.42 -0.14 3.87 0.00 -1.18 -2.72 119.26 121.30 3jx1 h ALA 629 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3jx1 h ALA 629 Cb 0.24 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3jx1 h ALA 629 CO 0.00 0.51 -0.08 1.25 0.00 0.00 0.00 179.25 180.93 3jx1 h LEU 630 N 1.13 -0.27 -0.27 0.00 5.85 -0.66 -1.28 115.31 119.81 3jx1 h LEU 630 Ca 0.34 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.14 3jx1 h LEU 630 Cb -0.04 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3jx1 h LEU 630 CO -0.09 -0.11 0.11 0.58 -0.34 0.00 0.00 178.44 178.58 3jx1 h VAL 631 N -0.08 0.95 -0.74 1.05 2.07 -1.14 -2.41 116.25 115.96 3jx1 h VAL 631 Ca 0.08 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3jx1 h VAL 631 Cb 0.20 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3jx1 h VAL 631 CO -0.19 0.04 0.22 -0.33 0.02 0.00 0.00 177.57 177.34 3jx1 h GLU 632 N 0.23 1.15 -0.64 1.57 4.39 -1.19 0.89 114.58 120.99 3jx1 h GLU 632 Ca 0.11 -0.25 0.06 0.00 0.34 0.00 0.00 59.36 59.63 3jx1 h GLU 632 Cb 0.07 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 3jx1 h GLU 632 CO -0.11 0.98 0.33 0.82 -1.16 0.00 0.00 179.01 179.88 3jx1 h ILE 633 N 1.09 0.93 0.00 3.13 2.04 -1.04 -1.48 117.51 122.18 3jx1 h ILE 633 Ca 0.24 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.77 3jx1 h ILE 633 Cb 0.32 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3jx1 h ILE 633 CO -0.01 0.11 -0.54 0.78 0.00 0.00 0.00 178.15 178.49 3jx1 h ASN 634 N 0.61 0.00 -0.74 1.72 4.21 -0.86 -2.02 115.58 118.51 3jx1 h ASN 634 Ca 0.29 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.75 3jx1 h ASN 634 Cb 0.22 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 3jx1 h ASN 634 CO -0.20 0.54 0.27 0.40 -1.29 0.00 0.00 177.43 177.15 3jx1 h ILE 635 N 0.00 1.26 -0.18 2.81 2.04 -0.41 -2.70 117.51 120.32 3jx1 h ILE 635 Ca -0.01 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3jx1 h ILE 635 Cb 1.26 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 3jx1 h ILE 635 CO 0.07 0.33 0.02 0.00 0.00 0.00 0.00 178.15 178.58 3jx1 h ALA 636 N 1.13 0.24 -0.23 1.87 0.00 -0.98 -1.14 119.26 120.16 3jx1 h ALA 636 Ca 0.24 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3jx1 h ALA 636 Cb 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3jx1 h ALA 636 CO -0.02 -0.08 -0.15 0.28 0.00 0.00 0.00 179.25 179.28 3jx1 h VAL 637 N 0.09 0.56 -0.45 0.00 2.07 -1.37 -0.85 116.25 116.30 3jx1 h VAL 637 Ca 0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3jx1 h VAL 637 Cb 0.33 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3jx1 h VAL 637 CO 0.00 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 177.67 3jx1 h LEU 638 N -0.15 0.64 -0.86 2.57 3.38 -1.41 -2.45 115.31 117.03 3jx1 h LEU 638 Ca 0.13 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3jx1 h LEU 638 Cb 0.34 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3jx1 h LEU 638 CO -0.32 0.67 0.34 0.22 0.09 0.00 0.00 178.44 179.44 3jx1 h TYR 639 N 0.58 1.18 -0.12 1.13 3.20 -0.87 -1.66 116.97 120.41 3jx1 h TYR 639 Ca 0.14 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3jx1 h TYR 639 Cb 0.25 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 3jx1 h TYR 639 CO 0.01 0.88 -0.07 0.77 -1.64 0.00 0.00 178.16 178.12 3jx1 h SER 640 N 1.15 0.27 -0.41 -2.11 0.02 -1.00 0.64 113.55 112.10 3jx1 h SER 640 Ca 0.27 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3jx1 h SER 640 Cb 0.18 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3jx1 h SER 640 CO -0.03 0.64 0.25 -0.26 -1.14 0.00 0.00 176.83 176.29 3jx1 h PHE 641 N -0.09 0.54 -0.34 3.45 -1.00 -1.39 -2.42 116.94 115.70 3jx1 h PHE 641 Ca 0.03 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 3jx1 h PHE 641 Cb 0.53 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.90 3jx1 h PHE 641 CO 0.07 0.38 0.16 1.96 -1.61 0.00 0.00 178.31 179.26 3jx1 h GLN 642 N 0.55 0.49 0.00 1.51 4.20 -1.19 -0.65 115.11 120.03 3jx1 h GLN 642 Ca 0.15 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3jx1 h GLN 642 Cb -0.01 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 3jx1 h GLN 642 CO -0.03 0.46 -0.08 0.77 -0.67 0.00 0.00 178.83 179.28 3jx1 h SER 643 N 0.41 0.00 -0.53 1.46 0.02 -0.81 -1.13 113.55 112.97 3jx1 h SER 643 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3jx1 h SER 643 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3jx1 h SER 643 CO -0.01 0.08 0.00 0.47 -1.14 0.00 0.00 176.83 176.23 3jx1 n ASP 644 N -4.11 3.37 -3.73 3.07 8.00 -0.89 -4.96 116.55 117.30 3jx1 n ASP 644 Ca -0.03 -1.98 -0.25 0.00 0.71 0.00 0.00 54.79 53.24 3jx1 n ASP 644 Cb 0.17 -0.35 0.05 0.00 -0.02 0.00 0.00 41.12 40.97 3jx1 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx1 n LYS 645 N 1.37 -6.31 -4.33 -1.24 4.76 -0.43 -4.99 118.16 106.99 3jx1 n LYS 645 Ca 0.21 0.70 -0.34 0.00 -2.87 0.00 0.00 58.31 56.01 3jx1 n LYS 645 Cb 0.56 -5.60 -0.14 0.00 -1.84 0.00 0.00 35.03 28.01 3jx1 n LYS 645 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3jx1 s VAL 646 N -3.38 3.31 0.08 -0.18 1.01 -0.33 -4.24 120.40 116.68 3jx1 s VAL 646 Ca 0.46 -0.54 -0.35 0.00 0.00 0.00 0.00 61.98 61.55 3jx1 s VAL 646 Cb -0.22 -2.45 -0.14 0.00 0.00 0.00 0.00 36.38 33.57 3jx1 s VAL 646 CO 0.79 0.48 1.61 0.41 0.00 0.00 0.00 175.10 178.39 3jx1 n THR 647 N 4.07 0.13 -3.82 3.92 -1.04 -0.00 -4.35 114.28 113.19 3jx1 n THR 647 Ca -0.18 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.05 61.69 3jx1 n THR 647 Cb 0.52 -1.49 -0.09 0.00 -1.82 0.00 0.00 70.33 67.45 3jx1 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx1 s ILE 648 N 1.58 0.08 -0.02 12.58 2.07 -1.26 -4.39 121.20 131.84 3jx1 s ILE 648 Ca 0.83 -0.69 0.06 0.00 -1.41 0.00 0.00 60.65 59.44 3jx1 s ILE 648 Cb -0.73 -0.70 -0.01 0.00 0.13 0.00 0.00 42.46 41.14 3jx1 s ILE 648 CO 0.43 -0.38 -0.21 0.54 -1.91 0.00 0.00 174.94 173.41 3jx1 s VAL 649 N -1.89 1.64 0.64 4.00 0.11 -0.38 -5.00 120.40 119.53 3jx1 s VAL 649 Ca -0.10 -0.88 -0.11 0.00 -2.93 0.00 0.00 61.98 57.96 3jx1 s VAL 649 Cb -0.04 -1.37 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 3jx1 s VAL 649 CO 0.00 0.47 1.04 1.51 -3.33 0.00 0.00 175.10 174.79 3jx1 s ASP 650 N -0.39 6.01 0.54 3.54 -4.77 -1.26 -0.56 116.67 119.77 3jx1 s ASP 650 Ca 0.06 1.38 0.30 0.00 -3.30 0.00 0.00 52.55 50.99 3jx1 s ASP 650 Cb -0.09 -2.37 1.50 0.00 -1.09 0.00 0.00 42.92 40.87 3jx1 s ASP 650 CO -0.00 -1.01 2.07 1.12 0.70 0.00 0.00 175.17 178.05 3jx1 h HIS 651 N -0.42 0.00 0.14 2.11 2.07 -1.98 -0.39 115.15 116.68 3jx1 h HIS 651 Ca -0.44 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.07 3jx1 h HIS 651 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 3jx1 h HIS 651 CO 0.63 0.10 -0.07 0.45 -3.07 0.00 0.00 177.93 175.97 3jx1 h HIS 652 N 0.00 -0.17 -0.55 6.12 3.86 -1.96 -2.67 115.15 119.77 3jx1 h HIS 652 Ca -0.00 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3jx1 h HIS 652 Cb 0.37 0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 3jx1 h HIS 652 CO 0.00 0.29 0.28 1.03 0.86 0.00 0.00 177.93 180.39 3jx1 h SER 653 N -0.80 0.71 -0.57 2.45 0.87 -1.91 -1.52 113.55 112.78 3jx1 h SER 653 Ca -0.02 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 3jx1 h SER 653 Cb 0.54 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3jx1 h SER 653 CO 0.03 0.62 0.26 0.00 -0.53 0.00 0.00 176.83 177.22 3jx1 h ALA 654 N 1.11 0.74 -0.11 6.23 0.00 -1.16 -1.37 119.26 124.71 3jx1 h ALA 654 Ca 0.19 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 3jx1 h ALA 654 Cb 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3jx1 h ALA 654 CO -0.03 0.32 -0.78 1.79 0.00 0.00 0.00 179.25 180.55 3jx1 h THR 655 N 0.78 1.32 -0.46 0.00 1.35 -1.35 -0.92 112.91 113.63 3jx1 h THR 655 Ca 0.20 -2.08 0.04 0.00 -0.55 0.00 0.00 66.41 64.01 3jx1 h THR 655 Cb 0.14 2.08 -0.04 0.00 -1.73 0.00 0.00 68.15 68.60 3jx1 h THR 655 CO -0.02 0.64 0.24 -0.08 -0.25 0.00 0.00 175.52 176.05 3jx1 h GLU 656 N 0.41 0.45 -0.38 4.72 4.81 -1.22 -1.16 114.58 122.21 3jx1 h GLU 656 Ca -0.05 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 3jx1 h GLU 656 Cb 1.39 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 3jx1 h GLU 656 CO 0.15 0.30 -0.08 0.66 -0.73 0.00 0.00 179.01 179.31 3jx1 h SER 657 N 0.47 0.63 -0.27 1.04 4.64 -1.07 -2.52 113.55 116.47 3jx1 h SER 657 Ca 0.20 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 3jx1 h SER 657 Cb 0.10 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 3jx1 h SER 657 CO -0.14 0.76 -0.03 0.15 -0.87 0.00 0.00 176.83 176.70 3jx1 h PHE 658 N 0.60 0.66 -0.63 4.77 3.57 -0.72 0.16 116.94 125.36 3jx1 h PHE 658 Ca 0.11 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3jx1 h PHE 658 Cb 0.50 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3jx1 h PHE 658 CO 0.02 0.65 0.26 0.82 -2.23 0.00 0.00 178.31 177.83 3jx1 h ILE 659 N 0.59 1.23 -0.60 1.41 1.08 -0.82 0.41 117.51 120.81 3jx1 h ILE 659 Ca 0.12 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 63.85 3jx1 h ILE 659 Cb 0.42 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 3jx1 h ILE 659 CO 0.02 0.28 0.26 0.50 -0.69 0.00 0.00 178.15 178.52 3jx1 h LYS 660 N 0.88 0.88 -0.32 2.37 3.64 -1.11 -0.89 116.57 122.01 3jx1 h LYS 660 Ca 0.21 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3jx1 h LYS 660 Cb 0.19 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3jx1 h LYS 660 CO -0.02 0.73 0.19 1.25 -2.27 0.00 0.00 179.45 179.33 3jx1 h HIS 661 N 0.82 0.43 -0.42 1.91 2.76 -0.37 -1.85 115.15 118.43 3jx1 h HIS 661 Ca 0.20 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.42 3jx1 h HIS 661 Cb 0.16 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 28.93 3jx1 h HIS 661 CO 0.00 0.32 0.16 1.98 -1.30 0.00 0.00 177.93 179.10 3jx1 h MET 662 N 0.41 0.32 -0.32 5.26 4.05 0.20 0.01 114.93 124.87 3jx1 h MET 662 Ca 0.11 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 3jx1 h MET 662 Cb 0.02 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 3jx1 h MET 662 CO -0.02 0.21 0.14 0.93 0.23 0.00 0.00 176.91 178.40 3jx1 h GLU 663 N 0.33 0.44 -0.22 0.39 5.08 -1.06 0.50 114.58 120.04 3jx1 h GLU 663 Ca 0.19 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3jx1 h GLU 663 Cb 0.17 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3jx1 h GLU 663 CO -0.19 0.35 -0.24 -0.91 -1.00 0.00 0.00 179.01 177.03 3jx1 h ASN 664 N 0.44 0.59 -0.18 1.42 2.35 -0.32 -2.25 115.58 117.63 3jx1 h ASN 664 Ca 0.11 -0.48 -0.09 0.00 -0.55 0.00 0.00 56.30 55.29 3jx1 h ASN 664 Cb 0.07 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3jx1 h ASN 664 CO -0.01 0.96 -0.15 -0.33 -1.65 0.00 0.00 177.43 176.24 3jx1 h GLU 665 N 0.24 0.58 -0.34 0.81 4.39 -0.59 0.56 114.58 120.23 3jx1 h GLU 665 Ca 0.03 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 3jx1 h GLU 665 Cb 0.80 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 3jx1 h GLU 665 CO 0.06 0.72 -0.01 1.88 -1.16 0.00 0.00 179.01 180.50 3jx1 h TYR 666 N 0.53 0.66 -0.02 4.33 -1.99 -0.92 0.84 116.97 120.39 3jx1 h TYR 666 Ca 0.09 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 3jx1 h TYR 666 Cb 0.57 -0.17 -0.00 0.00 2.00 0.00 0.00 36.73 39.13 3jx1 h TYR 666 CO 0.02 0.72 -0.00 -0.09 -0.00 0.00 0.00 178.16 178.81 3jx1 h ARG 667 N 0.41 0.04 0.00 4.88 2.43 -0.91 -1.91 114.38 119.31 3jx1 h ARG 667 Ca 0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3jx1 h ARG 667 Cb 0.46 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3jx1 h ARG 667 CO 0.02 0.37 -1.02 0.00 -1.51 0.00 0.00 179.97 177.83 3jx1 n ARG 669 N -1.80 3.18 -0.62 0.00 0.63 0.20 -5.03 116.66 113.21 3jx1 n ARG 669 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 3jx1 n ARG 669 Cb 0.41 -0.29 0.00 0.00 0.45 0.00 0.00 32.46 33.03 3jx1 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx1 n GLY 670 N 0.53 0.72 0.00 5.14 0.00 -0.67 -4.60 105.19 106.31 3jx1 n GLY 670 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3jx1 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx1 n GLY 671 N -2.45 1.05 2.99 -0.02 0.00 -1.03 -0.44 105.19 105.29 3jx1 n GLY 671 Ca 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 3jx1 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx1 s PRO 673 N 2.53 4.44 -0.17 0.00 0.04 -1.26 -4.61 135.00 135.97 3jx1 s PRO 673 Ca 0.08 2.00 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 3jx1 s PRO 673 Cb -0.14 -3.19 0.05 0.00 0.04 0.00 0.00 34.50 31.26 3jx1 s PRO 673 CO -0.14 -0.15 0.43 0.00 0.04 0.00 0.00 177.00 177.18 3jx1 s ALA 674 N -0.25 -1.08 -0.59 8.56 0.00 -0.46 -4.20 121.76 123.74 3jx1 s ALA 674 Ca 0.53 1.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.82 3jx1 s ALA 674 Cb -0.35 -0.86 0.15 0.00 0.00 0.00 0.00 23.12 22.06 3jx1 s ALA 674 CO 0.40 -0.25 0.50 0.34 0.00 0.00 0.00 175.76 176.75 3jx1 s ASP 675 N 0.96 6.02 0.25 0.00 -1.08 0.08 -3.55 116.67 119.35 3jx1 s ASP 675 Ca -0.06 -2.19 -0.04 0.00 -0.52 0.00 0.00 52.55 49.74 3jx1 s ASP 675 Cb -0.06 -2.09 0.43 0.00 -1.46 0.00 0.00 42.92 39.74 3jx1 s ASP 675 CO -0.08 -0.66 1.79 -0.25 0.52 0.00 0.00 175.17 176.48 3jx1 h TRP 676 N 8.22 0.78 -1.00 -5.34 7.01 -1.90 0.18 115.95 123.89 3jx1 h TRP 676 Ca -0.13 0.03 0.18 0.00 2.11 0.00 0.00 58.89 61.08 3jx1 h TRP 676 Cb 1.06 -0.23 -0.10 0.00 -2.10 0.00 0.00 29.16 27.79 3jx1 h TRP 676 CO 0.77 0.27 0.62 0.28 -2.79 0.00 0.00 178.44 177.58 3jx1 h VAL 677 N 0.70 0.73 0.01 2.65 2.07 -1.92 -1.81 116.25 118.67 3jx1 h VAL 677 Ca 0.41 -0.27 -0.31 0.00 0.82 0.00 0.00 66.70 67.35 3jx1 h VAL 677 Cb 0.47 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 3jx1 h VAL 677 CO -0.29 0.14 -1.82 0.79 0.02 0.00 0.00 177.57 176.41 3jx1 n TRP 678 N -4.74 0.90 -0.02 1.57 7.02 -0.22 -4.42 117.44 117.53 3jx1 n TRP 678 Ca 0.23 0.31 -0.12 0.00 -1.02 0.00 0.00 57.50 56.90 3jx1 n TRP 678 Cb 0.55 -1.16 0.02 0.00 -2.42 0.00 0.00 31.31 28.30 3jx1 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jx1 h ILE 679 N 0.01 1.31 -3.02 -0.99 1.08 -0.36 -3.43 117.51 112.11 3jx1 h ILE 679 Ca -0.33 -1.81 -0.54 0.00 -0.39 0.00 0.00 64.86 61.79 3jx1 h ILE 679 Cb 2.04 1.76 -0.01 0.00 -3.07 0.00 0.00 36.82 37.54 3jx1 h ILE 679 CO 0.07 0.57 0.74 -0.69 -0.69 0.00 0.00 178.15 178.15 3jx1 s VAL 680 N -4.00 3.93 0.76 1.67 1.01 -0.72 -4.94 120.40 118.11 3jx1 s VAL 680 Ca -0.08 1.31 -0.14 0.00 0.00 0.00 0.00 61.98 63.07 3jx1 s VAL 680 Cb 0.11 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.70 3jx1 s VAL 680 CO 0.86 0.02 1.18 -2.84 0.00 0.00 0.00 175.10 174.32 3jx1 s PRO 681 N 2.06 2.02 0.00 2.72 0.02 -1.26 -4.90 135.00 135.65 3jx1 s PRO 681 Ca 0.60 1.65 0.14 0.00 0.02 0.00 0.00 61.00 63.42 3jx1 s PRO 681 Cb -0.29 -1.83 0.82 0.00 0.02 0.00 0.00 34.50 33.22 3jx1 s PRO 681 CO 0.25 -1.90 1.53 -0.35 -0.33 0.00 0.00 177.00 176.20 3jx1 n PRO 682 N -2.99 1.05 -4.07 5.54 -0.04 -1.26 -4.29 135.00 128.92 3jx1 n PRO 682 Ca 0.13 -0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 3jx1 n PRO 682 Cb 0.51 -1.23 -0.11 0.00 -0.04 0.00 0.00 33.50 32.63 3jx1 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx1 s MET 683 N -1.98 0.57 -1.36 0.54 0.23 -1.26 -4.92 119.30 111.12 3jx1 s MET 683 Ca 0.21 -0.86 -0.06 0.00 -1.03 0.00 0.00 55.69 53.95 3jx1 s MET 683 Cb 0.10 -0.23 0.04 0.00 -1.53 0.00 0.00 34.83 33.21 3jx1 s MET 683 CO 0.17 0.02 0.46 0.43 -2.03 0.00 0.00 175.02 174.07 3jx1 n SER 684 N 1.17 -4.57 -0.36 -1.18 7.64 -1.26 -4.86 113.62 110.19 3jx1 n SER 684 Ca -0.21 -0.28 -0.07 0.00 1.01 0.00 0.00 58.87 59.33 3jx1 n SER 684 Cb 0.56 -3.76 -0.04 0.00 -1.01 0.00 0.00 64.21 59.97 3jx1 n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3jx1 h GLY 685 N -0.97 -0.44 1.56 0.23 0.00 -1.92 -2.41 103.07 99.13 3jx1 h GLY 685 Ca -0.45 0.65 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3jx1 h GLY 685 CO 0.52 -0.09 -0.07 -1.14 0.00 0.00 0.00 176.54 175.76 3jx1 n SER 686 N -5.37 0.13 -0.77 0.19 3.41 -1.26 -2.09 113.62 107.86 3jx1 n SER 686 Ca 0.05 0.03 0.10 0.00 -0.26 0.00 0.00 58.87 58.78 3jx1 n SER 686 Cb 0.33 -0.28 0.29 0.00 -0.26 0.00 0.00 64.21 64.29 3jx1 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx1 n ILE 687 N -1.33 0.38 -4.09 -1.33 -5.35 -0.91 -4.83 119.36 101.90 3jx1 n ILE 687 Ca 0.11 -0.51 -0.31 0.00 -0.27 0.00 0.00 62.75 61.76 3jx1 n ILE 687 Cb 0.30 0.50 -0.07 0.00 -1.74 0.00 0.00 39.64 38.63 3jx1 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx1 s THR 688 N -1.62 4.46 0.05 7.28 -4.23 -0.89 -5.04 115.64 115.65 3jx1 s THR 688 Ca 0.33 -0.73 0.31 0.00 -1.18 0.00 0.00 61.69 60.42 3jx1 s THR 688 Cb 0.18 -3.12 0.36 0.00 1.34 0.00 0.00 72.50 71.26 3jx1 s THR 688 CO 0.26 0.18 1.91 1.55 -0.54 0.00 0.00 174.62 177.98 3jx1 h PRO 689 N 3.52 0.00 0.00 3.99 0.13 -1.87 -3.04 132.00 134.73 3jx1 h PRO 689 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 3jx1 h PRO 689 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jx1 h PRO 689 CO 0.64 0.05 -0.20 -0.39 -0.23 0.00 0.00 178.00 177.86 3jx1 h VAL 690 N 0.00 1.04 -0.98 1.56 -1.51 -1.88 -2.76 116.25 111.72 3jx1 h VAL 690 Ca -0.00 -0.71 0.09 0.00 -1.23 0.00 0.00 66.70 64.85 3jx1 h VAL 690 Cb 0.61 1.39 -0.07 0.00 -2.13 0.00 0.00 31.29 31.09 3jx1 h VAL 690 CO 0.01 0.20 0.63 0.15 -1.23 0.00 0.00 177.57 177.32 3jx1 h PHE 691 N 0.00 1.14 -0.11 5.19 3.57 -1.71 -2.21 116.94 122.80 3jx1 h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3jx1 h PHE 691 Cb 0.38 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3jx1 h PHE 691 CO 0.00 0.53 0.00 0.72 -2.23 0.00 0.00 178.31 177.33 3jx1 n HIS 692 N -4.54 0.13 -3.42 0.41 8.25 -1.04 -4.82 115.22 110.17 3jx1 n HIS 692 Ca 0.17 -0.06 -0.40 0.00 -0.26 0.00 0.00 57.72 57.16 3jx1 n HIS 692 Cb 0.26 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.28 3jx1 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx1 s GLN 693 N -1.87 3.62 0.46 -0.41 2.00 -0.83 -0.89 119.66 121.73 3jx1 s GLN 693 Ca 0.35 -0.39 -0.23 0.00 -2.00 0.00 0.00 55.36 53.08 3jx1 s GLN 693 Cb 0.20 -3.78 -0.07 0.00 0.80 0.00 0.00 33.01 30.15 3jx1 s GLN 693 CO 0.30 -0.47 1.22 -1.21 -0.50 0.00 0.00 175.29 174.63 3jx1 s GLU 694 N 1.98 3.71 -0.00 1.67 2.02 -0.64 -4.98 118.70 122.45 3jx1 s GLU 694 Ca 0.11 1.93 -0.01 0.00 0.02 0.00 0.00 54.97 57.02 3jx1 s GLU 694 Cb -0.17 -2.47 -0.00 0.00 0.10 0.00 0.00 34.13 31.60 3jx1 s GLU 694 CO 0.11 -0.63 0.01 -1.64 0.02 0.00 0.00 175.26 173.13 3jx1 s MET 695 N -2.61 0.07 -0.14 1.61 -1.94 -1.26 -4.62 119.30 110.40 3jx1 s MET 695 Ca 0.63 -0.07 -0.05 0.00 -1.71 0.00 0.00 55.69 54.49 3jx1 s MET 695 Cb -0.33 0.03 -0.04 0.00 2.01 0.00 0.00 34.83 36.50 3jx1 s MET 695 CO 0.40 -0.01 0.05 -0.51 -0.01 0.00 0.00 175.02 174.94 3jx1 s LEU 696 N -0.21 3.79 -0.17 -0.03 1.43 -1.26 -4.90 118.68 117.33 3jx1 s LEU 696 Ca -0.02 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.20 3jx1 s LEU 696 Cb -0.02 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 3jx1 s LEU 696 CO -0.00 0.28 -0.07 0.21 0.23 0.00 0.00 176.35 177.00 3jx1 s ASN 697 N -0.28 4.34 0.13 2.29 3.04 -1.23 -1.35 114.94 121.88 3jx1 s ASN 697 Ca 0.08 -0.30 -0.19 0.00 0.04 0.00 0.00 52.86 52.49 3jx1 s ASN 697 Cb -0.12 -1.71 0.05 0.00 -1.54 0.00 0.00 41.25 37.93 3jx1 s ASN 697 CO 0.02 0.09 0.47 -0.72 -3.04 0.00 0.00 177.10 173.92 3jx1 s TYR 698 N 0.82 -0.33 -0.30 0.43 -0.85 -1.26 -4.97 117.35 110.89 3jx1 s TYR 698 Ca -0.02 0.09 -0.08 0.00 -0.52 0.00 0.00 57.07 56.53 3jx1 s TYR 698 Cb -0.15 0.36 -0.00 0.00 0.38 0.00 0.00 41.96 42.55 3jx1 s TYR 698 CO 0.01 -0.74 0.12 1.03 -1.52 0.00 0.00 175.55 174.46 3jx1 s ARG 699 N -3.63 3.24 0.18 -3.49 0.52 -1.26 -4.81 118.95 109.70 3jx1 s ARG 699 Ca 0.01 -0.77 0.06 0.00 -0.52 0.00 0.00 55.73 54.52 3jx1 s ARG 699 Cb 0.01 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 3jx1 s ARG 699 CO -0.11 -0.42 0.08 -0.51 0.02 0.00 0.00 175.30 174.35 3jx1 s LEU 700 N 1.57 3.56 0.12 2.53 1.43 -1.26 -3.61 118.68 123.02 3jx1 s LEU 700 Ca 0.04 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 3jx1 s LEU 700 Cb -0.17 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 3jx1 s LEU 700 CO 0.05 0.06 -0.12 0.42 0.23 0.00 0.00 176.35 176.99 3jx1 s THR 701 N -1.82 3.20 0.67 5.49 -4.23 -1.26 -4.24 115.64 113.45 3jx1 s THR 701 Ca 0.30 -1.41 -0.17 0.00 -1.18 0.00 0.00 61.69 59.22 3jx1 s THR 701 Cb -0.09 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 3jx1 s THR 701 CO 0.21 0.06 1.08 -2.65 -0.54 0.00 0.00 174.62 172.78 3jx1 n PRO 702 N 0.58 0.78 -3.93 3.99 -0.02 -1.26 -5.00 135.00 130.14 3jx1 n PRO 702 Ca -0.13 0.32 -0.09 0.00 -2.02 0.00 0.00 63.50 61.58 3jx1 n PRO 702 Cb 0.53 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 3jx1 n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jx1 s SER 703 N -1.48 0.22 -0.16 2.55 1.04 -0.86 -3.75 113.70 111.26 3jx1 s SER 703 Ca 0.77 -0.68 -0.08 0.00 0.48 0.00 0.00 55.95 56.44 3jx1 s SER 703 Cb -0.37 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 65.98 3jx1 s SER 703 CO 0.46 -0.63 0.13 -0.36 0.98 0.00 0.00 173.24 173.82 3jx1 s PHE 704 N -3.44 3.49 0.04 5.02 0.40 -1.26 -1.20 117.98 121.04 3jx1 s PHE 704 Ca 0.02 0.41 0.08 0.00 -0.60 0.00 0.00 56.93 56.84 3jx1 s PHE 704 Cb 0.04 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 3jx1 s PHE 704 CO -0.08 0.51 -0.22 -1.21 0.70 0.00 0.00 175.22 174.92 3jx1 s GLU 705 N -0.34 1.46 0.46 0.44 0.41 0.67 -4.91 118.70 116.89 3jx1 s GLU 705 Ca 0.11 -0.97 -0.24 0.00 -0.41 0.00 0.00 54.97 53.47 3jx1 s GLU 705 Cb -0.12 -1.59 -0.07 0.00 -1.78 0.00 0.00 34.13 30.58 3jx1 s GLU 705 CO 0.01 0.41 1.28 -0.47 -0.49 0.00 0.00 175.26 175.99 3jx1 s TYR 706 N -0.80 2.68 0.07 1.61 5.04 -1.26 -0.36 117.35 124.33 3jx1 s TYR 706 Ca 0.08 1.44 0.04 0.00 -2.44 0.00 0.00 57.07 56.19 3jx1 s TYR 706 Cb -0.09 -3.62 -0.03 0.00 0.35 0.00 0.00 41.96 38.57 3jx1 s TYR 706 CO 0.02 -2.15 -0.12 1.14 -1.34 0.00 0.00 175.55 173.10 3jx1 s GLN 707 N -2.57 0.77 0.47 4.97 -2.07 -1.24 -4.78 119.66 115.20 3jx1 s GLN 707 Ca 0.63 -0.98 -0.23 0.00 -1.82 0.00 0.00 55.36 52.96 3jx1 s GLN 707 Cb -0.36 -0.63 -0.07 0.00 -1.09 0.00 0.00 33.01 30.86 3jx1 s GLN 707 CO 0.44 0.12 1.20 -1.25 -1.32 0.00 0.00 175.29 174.49 3jx1 s PRO 708 N -2.04 3.68 -0.42 9.60 0.04 -1.26 -4.91 135.00 139.70 3jx1 s PRO 708 Ca -0.01 1.87 -0.46 0.00 0.04 0.00 0.00 61.00 62.44 3jx1 s PRO 708 Cb -0.08 -2.41 -0.20 0.00 0.04 0.00 0.00 34.50 31.85 3jx1 s PRO 708 CO 0.01 -0.65 1.52 -0.25 0.04 0.00 0.00 177.00 177.68 3jx1 n ASP 709 N -0.52 1.06 0.27 6.66 8.00 -1.26 -4.81 116.55 125.95 3jx1 n ASP 709 Ca 0.07 1.18 0.18 0.00 0.71 0.00 0.00 54.79 56.93 3jx1 n ASP 709 Cb 0.47 -0.89 0.78 0.00 -0.02 0.00 0.00 41.12 41.46 3jx1 n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3jx1 h PRO 710 N 4.76 0.00 -0.17 -0.24 0.13 -1.90 -3.09 132.00 131.49 3jx1 h PRO 710 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 3jx1 h PRO 710 Cb 1.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 3jx1 h PRO 710 CO 0.93 0.00 -0.33 0.11 -0.23 0.00 0.00 178.00 178.48 3jx1 h TRP 711 N 0.00 0.40 -0.55 1.56 0.09 -1.96 -1.26 115.95 114.23 3jx1 h TRP 711 Ca 0.00 -0.09 0.02 0.00 0.09 0.00 0.00 58.89 58.91 3jx1 h TRP 711 Cb 0.36 -0.09 -0.03 0.00 0.08 0.00 0.00 29.16 29.48 3jx1 h TRP 711 CO 0.00 0.64 0.36 -0.91 0.09 0.00 0.00 178.44 178.62 3jx1 h ASN 712 N 0.30 0.58 -1.79 0.11 2.35 -1.92 -3.33 115.58 111.88 3jx1 h ASN 712 Ca 0.04 -0.01 -0.62 0.00 -0.55 0.00 0.00 56.30 55.16 3jx1 h ASN 712 Cb 0.73 -0.14 -0.40 0.00 0.05 0.00 0.00 38.32 38.56 3jx1 h ASN 712 CO 0.06 0.41 -0.43 0.41 -1.65 0.00 0.00 177.43 176.23 3jx1 n THR 713 N -4.46 2.85 -3.70 2.81 -1.04 -0.48 -5.00 114.28 105.26 3jx1 n THR 713 Ca 0.06 -5.07 -0.14 0.00 -2.04 0.00 0.00 64.05 56.85 3jx1 n THR 713 Cb 0.10 -1.31 -0.08 0.00 -1.82 0.00 0.00 70.33 67.22 3jx1 n THR 713 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3jx1 s HIS 714 N -3.62 -0.39 0.02 -1.42 5.04 -1.18 -4.97 115.29 108.77 3jx1 s HIS 714 Ca 0.48 0.77 0.05 0.00 -1.54 0.00 0.00 55.06 54.82 3jx1 s HIS 714 Cb 0.37 0.19 -0.03 0.00 0.04 0.00 0.00 32.58 33.14 3jx1 s HIS 714 CO -0.20 -0.39 -0.11 0.14 -2.34 0.00 0.00 174.74 171.85 3jx1 s VAL 715 N -0.78 3.35 -2.96 0.89 -7.23 -1.26 -5.03 120.40 107.37 3jx1 s VAL 715 Ca -0.09 -0.95 0.24 0.00 -1.81 0.00 0.00 61.98 59.38 3jx1 s VAL 715 Cb -0.03 -2.45 0.22 0.00 0.56 0.00 0.00 36.38 34.67 3jx1 s VAL 715 CO 0.04 0.35 1.30 0.79 -0.31 0.00 0.00 175.10 177.27