#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jx3 s PHE 300 N 0.00 3.51 -0.00 -0.14 0.40 -1.26 -4.80 117.98 115.69 3jx3 s PHE 300 Ca 0.00 0.83 0.06 0.00 -0.60 0.00 0.00 56.93 57.22 3jx3 s PHE 300 Cb 0.00 -2.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.02 3jx3 s PHE 300 CO 0.00 0.21 -0.19 -0.51 0.70 0.00 0.00 175.22 175.43 3jx3 s LEU 301 N 0.49 2.07 -0.05 -0.37 1.43 -1.00 -4.96 118.68 116.29 3jx3 s LEU 301 Ca 0.24 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3jx3 s LEU 301 Cb -0.15 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.07 3jx3 s LEU 301 CO 0.09 0.21 0.01 -0.54 0.23 0.00 0.00 176.35 176.35 3jx3 s LYS 302 N -0.63 2.92 -0.05 1.70 1.02 -1.26 0.18 119.74 123.63 3jx3 s LYS 302 Ca 0.07 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 55.64 3jx3 s LYS 302 Cb -0.08 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 3jx3 s LYS 302 CO -0.00 0.67 -0.24 0.14 -0.92 0.00 0.00 175.35 175.00 3jx3 s VAL 303 N -0.98 2.16 -0.07 3.17 -7.23 0.10 -4.96 120.40 112.59 3jx3 s VAL 303 Ca 0.16 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.31 3jx3 s VAL 303 Cb -0.11 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 3jx3 s VAL 303 CO 0.06 0.57 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.57 3jx3 s LYS 304 N -0.34 2.77 -0.24 4.82 2.20 -1.26 -0.53 119.74 127.17 3jx3 s LYS 304 Ca 0.02 -0.63 -0.14 0.00 -0.36 0.00 0.00 55.97 54.86 3jx3 s LYS 304 Cb -0.12 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.63 3jx3 s LYS 304 CO 0.02 0.57 0.33 1.21 -0.36 0.00 0.00 175.35 177.12 3jx3 s ASN 305 N -0.57 6.29 0.00 1.43 3.84 0.35 -1.75 114.94 124.53 3jx3 s ASN 305 Ca 0.08 0.33 0.28 0.00 0.21 0.00 0.00 52.86 53.76 3jx3 s ASN 305 Cb -0.12 -2.20 0.98 0.00 -0.55 0.00 0.00 41.25 39.37 3jx3 s ASN 305 CO 0.02 -0.09 1.71 0.79 -2.79 0.00 0.00 177.10 176.73 3jx3 n TRP 306 N 4.77 0.00 -0.06 0.43 7.02 -0.00 -0.26 117.44 129.34 3jx3 n TRP 306 Ca -0.10 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.22 3jx3 n TRP 306 Cb 0.51 -0.15 -0.14 0.00 -2.42 0.00 0.00 31.31 29.11 3jx3 n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jx3 n GLU 307 N -0.79 0.69 -0.00 -0.99 2.13 -1.26 -4.59 120.64 115.83 3jx3 n GLU 307 Ca 0.13 0.18 0.05 0.00 0.66 0.00 0.00 57.16 58.19 3jx3 n GLU 307 Cb 0.32 -1.63 -0.07 0.00 0.27 0.00 0.00 31.44 30.33 3jx3 n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jx3 n THR 308 N -3.21 0.00 -0.41 6.31 -2.24 -1.22 -4.99 114.28 108.52 3jx3 n THR 308 Ca -0.34 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3jx3 n THR 308 Cb 1.05 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 3jx3 n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jx3 n ASP 309 N -1.38 0.00 -4.74 3.42 8.00 0.64 -4.98 116.55 117.52 3jx3 n ASP 309 Ca 0.01 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 3jx3 n ASP 309 Cb 0.20 -1.23 -0.02 0.00 -0.02 0.00 0.00 41.12 40.05 3jx3 n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jx3 s VAL 310 N -2.06 2.12 -0.15 2.53 1.01 -1.24 -4.70 120.40 117.91 3jx3 s VAL 310 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3jx3 s VAL 310 Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.33 3jx3 s VAL 310 CO 0.00 0.01 -0.21 -0.69 0.00 0.00 0.00 175.10 174.21 3jx3 s VAL 311 N 0.52 2.12 0.10 2.92 1.01 -1.26 -0.50 120.40 125.31 3jx3 s VAL 311 Ca 0.68 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.78 3jx3 s VAL 311 Cb -0.48 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3jx3 s VAL 311 CO 0.41 0.55 -0.12 -0.76 0.00 0.00 0.00 175.10 175.18 3jx3 s LEU 312 N 0.86 2.97 -0.22 3.92 1.43 0.32 -4.94 118.68 123.02 3jx3 s LEU 312 Ca -0.06 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 52.58 3jx3 s LEU 312 Cb -0.15 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3jx3 s LEU 312 CO -0.03 0.19 0.03 -0.89 0.23 0.00 0.00 176.35 175.88 3jx3 s THR 313 N -1.18 4.13 -0.29 5.49 2.01 -1.26 0.02 115.64 124.56 3jx3 s THR 313 Ca 0.20 -0.25 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 3jx3 s THR 313 Cb -0.11 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 3jx3 s THR 313 CO 0.12 0.40 0.21 -0.62 -0.69 0.00 0.00 174.62 174.04 3jx3 s ASP 314 N 1.20 6.04 -0.01 3.53 -1.08 0.48 -4.67 116.67 122.16 3jx3 s ASP 314 Ca 0.04 -0.03 0.10 0.00 -0.52 0.00 0.00 52.55 52.15 3jx3 s ASP 314 Cb -0.14 -2.13 -0.15 0.00 -1.46 0.00 0.00 42.92 39.04 3jx3 s ASP 314 CO 0.02 -0.08 0.29 0.35 0.52 0.00 0.00 175.17 176.27 3jx3 n THR 315 N 5.07 0.00 0.20 1.71 -2.24 0.84 -2.38 114.28 117.49 3jx3 n THR 315 Ca -0.13 -0.25 0.04 0.00 -2.27 0.00 0.00 64.05 61.44 3jx3 n THR 315 Cb 0.52 0.48 0.43 0.00 -2.10 0.00 0.00 70.33 69.66 3jx3 n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jx3 h LEU 316 N 0.00 0.00 -2.24 3.22 5.85 -1.69 -2.68 115.31 117.77 3jx3 h LEU 316 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3jx3 h LEU 316 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3jx3 h LEU 316 CO 0.00 0.29 0.14 1.12 -0.34 0.00 0.00 178.44 179.64 3jx3 h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.86 -0.54 115.15 116.08 3jx3 h HIS 317 Ca -0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.49 3jx3 h HIS 317 Cb 0.52 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.49 3jx3 h HIS 317 CO 0.00 0.00 -0.11 -0.07 -3.07 0.00 0.00 177.93 174.68 3jx3 h LEU 318 N 0.00 0.00 -1.40 6.12 3.38 -1.79 -0.52 115.31 121.10 3jx3 h LEU 318 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3jx3 h LEU 318 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3jx3 h LEU 318 CO -0.00 0.11 0.00 0.29 0.09 0.00 0.00 178.44 178.93 3jx3 n LYS 319 N -3.79 1.82 -2.87 1.13 5.02 -0.21 -4.92 118.16 114.34 3jx3 n LYS 319 Ca -0.02 -0.72 -0.35 0.00 -2.02 0.00 0.00 58.31 55.20 3jx3 n LYS 319 Cb 0.21 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.59 3jx3 n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3jx3 s SER 320 N -0.35 7.07 0.01 4.39 0.15 -0.21 -4.87 113.70 119.89 3jx3 s SER 320 Ca 0.13 1.66 0.00 0.00 0.70 0.00 0.00 55.95 58.44 3jx3 s SER 320 Cb 0.09 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3jx3 s SER 320 CO 0.05 -0.20 0.00 1.07 1.20 0.00 0.00 173.24 175.36 3jx3 n THR 321 N -0.05 0.06 -0.50 6.45 5.66 -0.94 -5.05 114.28 119.91 3jx3 n THR 321 Ca 0.04 0.02 -0.29 0.00 -3.05 0.00 0.00 64.05 60.77 3jx3 n THR 321 Cb 0.52 -0.88 0.25 0.00 -1.55 0.00 0.00 70.33 68.67 3jx3 n THR 321 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3jx3 n LEU 322 N -2.56 -2.03 -4.90 1.09 4.77 -1.25 -5.02 117.00 107.11 3jx3 n LEU 322 Ca 0.00 -0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.44 3jx3 n LEU 322 Cb 0.00 -1.17 -0.05 0.00 -2.33 0.00 0.00 43.42 39.87 3jx3 n LEU 322 CO 0.00 -3.33 -0.16 -1.61 -1.33 0.00 0.00 177.39 170.96 3jx3 s GLU 323 N -4.16 3.42 0.30 3.23 2.02 -1.26 -4.63 118.70 117.61 3jx3 s GLU 323 Ca 0.66 -0.32 0.21 0.00 0.02 0.00 0.00 54.97 55.54 3jx3 s GLU 323 Cb -0.23 -3.09 0.13 0.00 0.10 0.00 0.00 34.13 31.05 3jx3 s GLU 323 CO 0.66 0.68 1.30 1.79 0.02 0.00 0.00 175.26 179.71 3jx3 h THR 324 N 2.88 0.16 0.00 3.63 1.35 -1.96 -3.48 112.91 115.49 3jx3 h THR 324 Ca -0.49 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3jx3 h THR 324 Cb 1.19 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 3jx3 h THR 324 CO 0.68 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 3jx3 n GLY 325 N 1.17 1.97 3.88 5.82 0.00 -1.26 -4.84 105.19 111.93 3jx3 n GLY 325 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3jx3 n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx3 n THR 327 N -1.12 0.00 0.27 0.00 -2.24 -0.24 -5.00 114.28 105.95 3jx3 n THR 327 Ca 0.02 -1.70 0.17 0.00 -2.27 0.00 0.00 64.05 60.26 3jx3 n THR 327 Cb 0.54 0.43 0.69 0.00 -2.10 0.00 0.00 70.33 69.88 3jx3 n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3jx3 h GLU 328 N 0.00 0.00 0.00 -0.78 3.07 -2.05 -3.18 114.58 111.64 3jx3 h GLU 328 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 3jx3 h GLU 328 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3jx3 h GLU 328 CO 0.45 0.03 -1.35 0.72 -1.40 0.00 0.00 179.01 177.47 3jx3 n HIS 329 N -3.15 0.59 -3.67 4.33 8.25 -1.26 -4.97 115.22 115.34 3jx3 n HIS 329 Ca 0.00 0.17 -0.08 0.00 -0.26 0.00 0.00 57.72 57.55 3jx3 n HIS 329 Cb 0.30 -0.77 -0.09 0.00 1.12 0.00 0.00 29.99 30.56 3jx3 n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jx3 s ILE 330 N -3.41 -0.13 -0.21 1.59 2.07 -1.20 -5.14 121.20 114.78 3jx3 s ILE 330 Ca -0.03 0.06 -0.14 0.00 -1.41 0.00 0.00 60.65 59.12 3jx3 s ILE 330 Cb 0.11 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.86 3jx3 s ILE 330 CO 0.83 0.02 0.33 0.00 -1.91 0.00 0.00 174.94 174.22 3jx3 n MET 332 N 4.32 3.33 -0.27 0.00 2.81 -1.26 -4.76 117.12 121.30 3jx3 n MET 332 Ca -0.10 -2.84 0.33 0.00 -1.81 0.00 0.00 57.70 53.27 3jx3 n MET 332 Cb 0.51 -1.88 0.64 0.00 -0.71 0.00 0.00 33.22 31.79 3jx3 n MET 332 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3jx3 h GLY 333 N 2.35 0.00 -1.61 3.03 0.00 -1.92 0.04 103.07 104.96 3jx3 h GLY 333 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3jx3 h GLY 333 CO 0.26 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.66 3jx3 n SER 334 N -3.67 2.69 -4.71 0.19 3.41 -1.26 -4.84 113.62 105.43 3jx3 n SER 334 Ca 0.24 -1.82 -0.42 0.00 -0.26 0.00 0.00 58.87 56.61 3jx3 n SER 334 Cb 1.37 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 65.26 3jx3 n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jx3 s ILE 335 N -1.57 4.55 0.17 -1.33 -1.09 -0.00 -4.96 121.20 116.97 3jx3 s ILE 335 Ca 0.24 1.83 -0.11 0.00 -2.23 0.00 0.00 60.65 60.38 3jx3 s ILE 335 Cb 0.17 -4.17 0.05 0.00 -1.58 0.00 0.00 42.46 36.92 3jx3 s ILE 335 CO 0.24 0.14 1.64 0.58 -1.23 0.00 0.00 174.94 176.31 3jx3 h VAL 336 N 4.69 1.26 -3.20 2.92 2.07 -1.92 -3.38 116.25 118.70 3jx3 h VAL 336 Ca -0.41 -1.08 -0.62 0.00 0.82 0.00 0.00 66.70 65.41 3jx3 h VAL 336 Cb 1.22 0.83 -0.40 0.00 -1.52 0.00 0.00 31.29 31.41 3jx3 h VAL 336 CO 0.77 0.39 -0.70 -0.76 0.02 0.00 0.00 177.57 177.29 3jx3 s LEU 337 N -9.41 3.38 0.07 2.57 1.43 -1.26 -5.14 118.68 110.33 3jx3 s LEU 337 Ca -0.12 -2.61 0.23 0.00 -1.03 0.00 0.00 54.13 50.59 3jx3 s LEU 337 Cb 0.13 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 3jx3 s LEU 337 CO 0.84 -0.28 0.95 -0.81 0.23 0.00 0.00 176.35 177.28 3jx3 n PRO 338 N 3.60 0.42 0.00 1.29 -0.04 -1.26 -5.18 135.00 133.82 3jx3 n PRO 338 Ca 0.06 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3jx3 n PRO 338 Cb 0.35 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 3jx3 n PRO 338 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3jx3 n THR 350 N -2.17 0.00 0.04 0.52 -1.04 -1.26 -4.94 114.28 105.43 3jx3 n THR 350 Ca 0.01 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 3jx3 n THR 350 Cb 0.48 0.00 0.46 0.00 -1.82 0.00 0.00 70.33 69.45 3jx3 n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3jx3 h LYS 351 N 0.00 0.45 0.00 -2.82 1.57 -1.94 0.59 116.57 114.42 3jx3 h LYS 351 Ca 0.00 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 3jx3 h LYS 351 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3jx3 h LYS 351 CO 0.00 0.30 -0.62 -0.44 -0.57 0.00 0.00 179.45 178.12 3jx3 h ASP 352 N 0.46 0.00 0.46 0.86 3.45 -1.99 -3.18 116.42 116.48 3jx3 h ASP 352 Ca 0.13 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.29 3jx3 h ASP 352 Cb -0.03 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3jx3 h ASP 352 CO -0.03 0.62 -1.49 1.56 -1.57 0.00 0.00 179.24 178.33 3jx3 h GLN 353 N 0.00 0.27 -0.16 3.56 4.20 -1.90 -3.40 115.11 117.69 3jx3 h GLN 353 Ca -0.01 -0.46 -0.14 0.00 0.06 0.00 0.00 58.65 58.10 3jx3 h GLN 353 Cb 1.46 0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.41 3jx3 h GLN 353 CO 0.08 1.15 -0.45 1.25 -0.67 0.00 0.00 178.83 180.19 3jx3 h LEU 354 N 0.07 0.67 -0.80 1.46 5.85 -0.95 -3.30 115.31 118.31 3jx3 h LEU 354 Ca -0.23 -0.59 -0.06 0.00 0.84 0.00 0.00 57.88 57.84 3jx3 h LEU 354 Cb 2.02 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.82 3jx3 h LEU 354 CO 0.17 1.14 0.22 0.15 -0.34 0.00 0.00 178.44 179.79 3jx3 h PHE 355 N 0.23 1.15 -0.46 1.25 3.57 -1.75 -0.41 116.94 120.52 3jx3 h PHE 355 Ca -0.01 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.34 3jx3 h PHE 355 Cb 1.07 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 3jx3 h PHE 355 CO 0.10 0.91 0.12 -1.00 -2.23 0.00 0.00 178.31 176.21 3jx3 h PRO 356 N 1.07 0.68 -0.31 6.41 0.13 -1.78 -0.28 132.00 137.92 3jx3 h PRO 356 Ca 0.23 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 3jx3 h PRO 356 Cb 0.30 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 3jx3 h PRO 356 CO -0.01 0.61 0.13 -0.07 -0.23 0.00 0.00 178.00 178.44 3jx3 h LEU 357 N 0.66 0.42 0.11 1.56 3.38 -1.47 0.34 115.31 120.32 3jx3 h LEU 357 Ca 0.15 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3jx3 h LEU 357 Cb 0.23 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3jx3 h LEU 357 CO -0.00 0.46 -0.12 0.00 0.09 0.00 0.00 178.44 178.87 3jx3 h ALA 358 N 0.98 -0.23 -0.25 1.53 0.00 -0.80 -1.45 119.26 119.05 3jx3 h ALA 358 Ca 0.10 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3jx3 h ALA 358 Cb 0.16 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3jx3 h ALA 358 CO -0.01 -0.65 -0.04 -0.22 0.00 0.00 0.00 179.25 178.33 3jx3 h LYS 359 N -0.26 0.03 -0.52 0.00 3.64 -0.95 0.18 116.57 118.68 3jx3 h LYS 359 Ca 0.01 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 3jx3 h LYS 359 Cb 0.26 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.00 3jx3 h LYS 359 CO -0.04 0.02 0.11 1.49 -2.27 0.00 0.00 179.45 178.76 3jx3 h GLU 360 N 0.03 0.24 -0.19 1.90 4.81 -0.80 0.56 114.58 121.13 3jx3 h GLU 360 Ca 0.12 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3jx3 h GLU 360 Cb 0.17 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3jx3 h GLU 360 CO -0.23 0.16 0.01 0.35 -0.73 0.00 0.00 179.01 178.57 3jx3 h PHE 361 N 0.25 0.35 -0.06 0.92 3.57 -0.68 -2.41 116.94 118.89 3jx3 h PHE 361 Ca 0.26 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 3jx3 h PHE 361 Cb 0.35 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3jx3 h PHE 361 CO -0.23 0.51 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.91 3jx3 h LEU 362 N 0.09 0.13 -0.34 0.59 3.38 -0.34 -0.44 115.31 118.38 3jx3 h LEU 362 Ca 0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3jx3 h LEU 362 Cb 0.37 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3jx3 h LEU 362 CO 0.01 0.51 0.14 0.44 0.09 0.00 0.00 178.44 179.63 3jx3 h ASP 363 N 0.11 0.46 0.17 -0.43 3.32 -0.82 -0.30 116.42 118.93 3jx3 h ASP 363 Ca 0.01 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 56.78 3jx3 h ASP 363 Cb 0.74 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3jx3 h ASP 363 CO 0.06 0.49 -0.45 0.06 -1.72 0.00 0.00 179.24 177.67 3jx3 h GLN 364 N 0.40 0.34 0.26 3.56 3.07 -0.86 -1.39 115.11 120.50 3jx3 h GLN 364 Ca 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 3jx3 h GLN 364 Cb 0.17 0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.74 3jx3 h GLN 364 CO -0.01 0.73 -0.13 -0.92 0.09 0.00 0.00 178.83 178.60 3jx3 h TYR 365 N 0.28 -0.33 -0.11 0.06 3.20 -0.85 -0.59 116.97 118.64 3jx3 h TYR 365 Ca 0.02 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3jx3 h TYR 365 Cb 0.91 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 3jx3 h TYR 365 CO 0.02 -0.16 -0.16 1.88 -1.64 0.00 0.00 178.16 178.11 3jx3 h TYR 366 N -0.41 0.18 -0.38 -3.82 -1.99 -1.01 -1.97 116.97 107.57 3jx3 h TYR 366 Ca -0.04 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.62 3jx3 h TYR 366 Cb 0.31 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 3jx3 h TYR 366 CO -0.04 0.33 0.04 1.03 -0.00 0.00 0.00 178.16 179.52 3jx3 h SER 367 N 0.17 0.62 -0.13 3.88 0.87 -1.12 0.44 113.55 118.28 3jx3 h SER 367 Ca 0.03 -0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.28 3jx3 h SER 367 Cb 0.39 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3jx3 h SER 367 CO 0.02 0.75 0.00 0.77 -0.53 0.00 0.00 176.83 177.84 3jx3 h SER 368 N 0.48 0.30 -0.38 6.23 4.64 -0.53 -1.73 113.55 122.56 3jx3 h SER 368 Ca 0.11 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3jx3 h SER 368 Cb 0.40 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3jx3 h SER 368 CO 0.01 0.35 0.00 2.30 -0.87 0.00 0.00 176.83 178.63 3jx3 n ILE 369 N -4.36 1.56 -3.63 0.95 -5.35 -0.79 -4.91 119.36 102.83 3jx3 n ILE 369 Ca 0.00 -0.84 -0.27 0.00 -0.27 0.00 0.00 62.75 61.37 3jx3 n ILE 369 Cb 0.19 -0.25 0.01 0.00 -1.74 0.00 0.00 39.64 37.85 3jx3 n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jx3 n LYS 370 N 0.47 -4.48 -0.84 6.28 5.02 -0.65 -4.87 118.16 119.09 3jx3 n LYS 370 Ca 0.17 0.57 0.05 0.00 -2.02 0.00 0.00 58.31 57.09 3jx3 n LYS 370 Cb 0.78 -5.38 0.13 0.00 -0.02 0.00 0.00 35.03 30.53 3jx3 n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jx3 n ARG 371 N -4.23 0.93 -1.71 1.97 1.74 0.15 -5.01 116.66 110.49 3jx3 n ARG 371 Ca 0.01 -2.65 -0.43 0.00 -0.77 0.00 0.00 57.85 54.00 3jx3 n ARG 371 Cb 0.54 -1.00 -0.03 0.00 -1.02 0.00 0.00 32.46 30.95 3jx3 n ARG 371 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3jx3 n PHE 372 N -0.54 2.66 -1.18 -1.55 7.35 -0.77 -2.27 117.46 121.16 3jx3 n PHE 372 Ca 0.13 0.10 -0.06 0.00 -0.76 0.00 0.00 57.45 56.86 3jx3 n PHE 372 Cb 0.84 -2.64 -0.03 0.00 0.35 0.00 0.00 39.48 38.00 3jx3 n PHE 372 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3jx3 n GLY 373 N 3.74 0.77 3.94 7.13 0.00 -1.26 -5.00 105.19 114.51 3jx3 n GLY 373 Ca 0.16 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 3jx3 n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jx3 s SER 374 N -2.44 4.11 0.24 1.61 1.04 -0.96 -4.86 113.70 112.43 3jx3 s SER 374 Ca 0.00 0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.70 3jx3 s SER 374 Cb 0.00 -0.57 0.25 0.00 0.10 0.00 0.00 66.02 65.80 3jx3 s SER 374 CO 0.00 -2.06 1.55 0.50 0.98 0.00 0.00 173.24 174.21 3jx3 h LYS 375 N -0.96 0.12 -0.89 4.02 3.64 -1.95 -1.22 116.57 119.34 3jx3 h LYS 375 Ca -0.42 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 3jx3 h LYS 375 Cb 1.28 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.07 3jx3 h LYS 375 CO 0.48 0.74 0.47 0.00 -2.27 0.00 0.00 179.45 178.86 3jx3 h ALA 376 N 1.24 1.15 0.19 5.00 0.00 -1.95 0.11 119.26 125.00 3jx3 h ALA 376 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3jx3 h ALA 376 Cb 1.17 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3jx3 h ALA 376 CO 0.09 0.67 -0.17 1.25 0.00 0.00 0.00 179.25 181.10 3jx3 h HIS 377 N 1.25 -0.46 -0.68 0.00 -0.00 -1.67 -1.78 115.15 111.80 3jx3 h HIS 377 Ca 0.31 0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.81 3jx3 h HIS 377 Cb 0.06 0.17 -0.09 0.00 -0.00 0.00 0.00 27.41 27.55 3jx3 h HIS 377 CO 0.01 -0.23 0.20 0.52 -0.00 0.00 0.00 177.93 178.44 3jx3 h MET 378 N -0.35 0.33 -0.84 5.26 2.07 -1.21 0.51 114.93 120.69 3jx3 h MET 378 Ca -0.02 -0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.63 3jx3 h MET 378 Cb 0.30 -0.07 -0.06 0.00 -1.87 0.00 0.00 31.60 29.90 3jx3 h MET 378 CO -0.01 0.22 0.53 -0.44 1.07 0.00 0.00 176.91 178.28 3jx3 h ASP 379 N 0.33 0.86 -0.37 1.22 3.45 -0.81 -2.06 116.42 119.04 3jx3 h ASP 379 Ca 0.37 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.68 3jx3 h ASP 379 Cb 0.57 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 3jx3 h ASP 379 CO -0.42 0.57 -0.38 -0.09 -1.57 0.00 0.00 179.24 177.36 3jx3 h ARG 380 N 1.01 0.91 -0.52 3.56 9.65 -0.02 -2.32 114.38 126.64 3jx3 h ARG 380 Ca 0.35 -0.48 0.04 0.00 -1.10 0.00 0.00 59.98 58.79 3jx3 h ARG 380 Cb 0.08 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 3jx3 h ARG 380 CO -0.14 1.13 0.27 -0.07 2.80 0.00 0.00 179.97 183.97 3jx3 h LEU 381 N 0.72 0.40 -0.24 3.80 4.07 -1.09 -1.85 115.31 121.13 3jx3 h LEU 381 Ca 0.06 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.06 3jx3 h LEU 381 Cb 0.97 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 3jx3 h LEU 381 CO 0.09 0.28 0.13 -0.08 -1.08 0.00 0.00 178.44 177.78 3jx3 h GLU 382 N 0.53 0.27 -0.45 1.13 4.57 -1.17 -1.79 114.58 117.68 3jx3 h GLU 382 Ca 0.23 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.43 3jx3 h GLU 382 Cb 0.12 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 3jx3 h GLU 382 CO -0.15 0.18 0.21 1.49 -1.18 0.00 0.00 179.01 179.55 3jx3 h GLU 383 N 0.28 0.40 -0.49 1.92 4.81 -1.32 0.15 114.58 120.33 3jx3 h GLU 383 Ca 0.10 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 3jx3 h GLU 383 Cb 0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3jx3 h GLU 383 CO -0.05 0.27 -0.19 0.28 -0.73 0.00 0.00 179.01 178.58 3jx3 h VAL 384 N 0.42 1.27 -0.47 0.32 2.07 -1.24 -1.60 116.25 117.02 3jx3 h VAL 384 Ca 0.20 -1.35 -0.11 0.00 0.82 0.00 0.00 66.70 66.25 3jx3 h VAL 384 Cb 0.13 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3jx3 h VAL 384 CO -0.16 0.47 -0.15 -1.13 0.02 0.00 0.00 177.57 176.63 3jx3 h ASN 385 N 0.85 0.90 -0.79 0.57 -0.73 -1.04 0.11 115.58 115.45 3jx3 h ASN 385 Ca 0.11 -0.30 0.01 0.00 1.87 0.00 0.00 56.30 58.00 3jx3 h ASN 385 Cb 0.77 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 39.07 3jx3 h ASN 385 CO 0.06 1.04 0.52 0.11 -0.37 0.00 0.00 177.43 178.79 3jx3 h LYS 386 N 0.79 1.02 -0.27 6.67 1.57 -0.51 -1.15 116.57 124.69 3jx3 h LYS 386 Ca 0.12 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.65 3jx3 h LYS 386 Cb 0.68 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3jx3 h LYS 386 CO 0.05 0.67 -0.58 1.49 -0.57 0.00 0.00 179.45 180.51 3jx3 h GLU 387 N 1.05 0.87 -0.29 3.15 4.81 -0.72 -2.59 114.58 120.86 3jx3 h GLU 387 Ca 0.30 -0.57 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 3jx3 h GLU 387 Cb -0.09 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3jx3 h GLU 387 CO -0.07 1.20 0.16 0.82 -0.73 0.00 0.00 179.01 180.39 3jx3 h ILE 388 N 0.65 1.12 -0.54 2.32 2.04 -0.87 0.39 117.51 122.61 3jx3 h ILE 388 Ca 0.00 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.62 3jx3 h ILE 388 Cb 1.19 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 3jx3 h ILE 388 CO 0.13 0.12 0.21 -0.33 0.00 0.00 0.00 178.15 178.28 3jx3 h GLU 389 N 0.35 0.38 0.01 2.37 4.39 -1.08 0.30 114.58 121.31 3jx3 h GLU 389 Ca 0.10 -0.02 -0.33 0.00 0.34 0.00 0.00 59.36 59.45 3jx3 h GLU 389 Cb 0.06 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 3jx3 h GLU 389 CO -0.02 0.25 -2.01 -1.13 -1.16 0.00 0.00 179.01 174.95 3jx3 n SER 390 N -4.99 0.77 -0.04 1.42 3.41 -0.99 -4.53 113.62 108.67 3jx3 n SER 390 Ca 0.06 0.22 0.02 0.00 -0.26 0.00 0.00 58.87 58.92 3jx3 n SER 390 Cb 0.22 0.19 -0.16 0.00 -0.26 0.00 0.00 64.21 64.20 3jx3 n SER 390 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3jx3 n THR 391 N -3.00 0.55 -0.96 6.66 -2.24 0.14 -5.00 114.28 110.43 3jx3 n THR 391 Ca -0.25 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 3jx3 n THR 391 Cb 1.08 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 3jx3 n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3jx3 n SER 392 N -2.42 -1.88 -0.87 3.42 3.41 0.10 -4.98 113.62 110.40 3jx3 n SER 392 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 3jx3 n SER 392 Cb 0.78 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3jx3 n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3jx3 n THR 393 N -2.63 0.00 -3.80 6.66 5.66 -1.26 -4.78 114.28 114.14 3jx3 n THR 393 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 3jx3 n THR 393 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 3jx3 n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jx3 s TYR 394 N -5.78 -0.05 -0.11 1.09 -0.85 -1.26 -2.94 117.35 107.45 3jx3 s TYR 394 Ca 0.00 -0.31 -0.02 0.00 -0.52 0.00 0.00 57.07 56.22 3jx3 s TYR 394 Cb 0.00 0.41 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 3jx3 s TYR 394 CO 0.00 -0.98 -0.04 -0.65 -1.52 0.00 0.00 175.55 172.36 3jx3 s GLN 395 N -3.90 3.17 0.30 -3.49 -1.52 -1.26 -5.05 119.66 107.91 3jx3 s GLN 395 Ca 0.12 -0.51 -0.28 0.00 -1.95 0.00 0.00 55.36 52.74 3jx3 s GLN 395 Cb -0.02 -2.76 -0.09 0.00 -0.22 0.00 0.00 33.01 29.92 3jx3 s GLN 395 CO 0.01 0.50 1.04 -0.51 -0.25 0.00 0.00 175.29 176.08 3jx3 s LEU 396 N -0.35 4.47 0.57 2.90 1.43 -1.26 -5.05 118.68 121.39 3jx3 s LEU 396 Ca 0.06 2.12 -0.18 0.00 -1.03 0.00 0.00 54.13 55.09 3jx3 s LEU 396 Cb -0.12 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 3jx3 s LEU 396 CO 0.02 -0.15 1.14 -0.54 0.23 0.00 0.00 176.35 177.05 3jx3 s LYS 397 N -1.66 3.19 0.25 1.70 -0.14 -1.26 -4.83 119.74 116.98 3jx3 s LYS 397 Ca 0.47 1.60 -0.04 0.00 -1.36 0.00 0.00 55.97 56.64 3jx3 s LYS 397 Cb -0.27 -1.98 0.47 0.00 -1.68 0.00 0.00 37.83 34.36 3jx3 s LYS 397 CO 0.35 -0.98 1.72 -0.44 -0.76 0.00 0.00 175.35 175.24 3jx3 h ASP 398 N 0.93 0.23 -0.77 2.83 3.32 -1.99 0.25 116.42 121.21 3jx3 h ASP 398 Ca -0.49 0.12 0.03 0.00 0.02 0.00 0.00 57.03 56.70 3jx3 h ASP 398 Cb 1.26 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.88 3jx3 h ASP 398 CO 0.56 0.07 0.51 0.71 -1.72 0.00 0.00 179.24 179.37 3jx3 h THR 399 N 0.40 1.14 -0.01 0.35 1.35 -2.00 -2.01 112.91 112.13 3jx3 h THR 399 Ca 0.42 -0.33 -0.20 0.00 -0.55 0.00 0.00 66.41 65.75 3jx3 h THR 399 Cb 0.67 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 3jx3 h THR 399 CO -0.43 0.18 -0.87 -0.33 -0.25 0.00 0.00 175.52 173.81 3jx3 h GLU 400 N 0.97 0.29 -0.20 4.72 5.08 -0.95 -2.09 114.58 122.40 3jx3 h GLU 400 Ca 0.30 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3jx3 h GLU 400 Cb 0.01 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3jx3 h GLU 400 CO -0.08 1.00 0.04 1.25 -1.00 0.00 0.00 179.01 180.21 3jx3 h LEU 401 N 0.17 0.31 -0.32 1.33 5.85 -0.92 0.19 115.31 121.91 3jx3 h LEU 401 Ca -0.05 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3jx3 h LEU 401 Cb 1.49 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 3jx3 h LEU 401 CO 0.14 0.47 0.12 0.40 -0.34 0.00 0.00 178.44 179.23 3jx3 h ILE 402 N 0.13 1.19 0.02 4.05 2.04 -1.35 -0.46 117.51 123.12 3jx3 h ILE 402 Ca 0.06 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3jx3 h ILE 402 Cb 0.29 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3jx3 h ILE 402 CO 0.00 0.21 -0.03 0.22 0.00 0.00 0.00 178.15 178.55 3jx3 h TYR 403 N 0.37 -0.07 -0.46 1.37 3.20 -1.41 -2.10 116.97 117.87 3jx3 h TYR 403 Ca 0.11 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.06 3jx3 h TYR 403 Cb 0.21 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.43 3jx3 h TYR 403 CO -0.00 -0.05 0.00 0.78 -1.64 0.00 0.00 178.16 177.26 3jx3 h GLY 404 N -0.06 0.47 0.95 1.82 0.00 -0.33 -0.34 103.07 105.57 3jx3 h GLY 404 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 3jx3 h GLY 404 CO -0.02 -0.12 0.14 0.00 0.00 0.00 0.00 176.54 176.55 3jx3 h ALA 405 N 1.40 0.34 -0.70 3.60 0.00 -1.05 -0.33 119.26 122.53 3jx3 h ALA 405 Ca 0.23 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3jx3 h ALA 405 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3jx3 h ALA 405 CO -0.37 -0.12 0.20 0.87 0.00 0.00 0.00 179.25 179.83 3jx3 h LYS 406 N 0.31 1.09 0.00 0.00 1.57 -1.10 -2.50 116.57 115.94 3jx3 h LYS 406 Ca 0.09 -0.24 -0.10 0.00 -1.87 0.00 0.00 60.65 58.53 3jx3 h LYS 406 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3jx3 h LYS 406 CO -0.01 0.95 -0.46 0.45 -0.57 0.00 0.00 179.45 179.80 3jx3 h HIS 407 N 1.03 0.00 -0.55 -1.35 3.86 -0.91 -0.38 115.15 116.85 3jx3 h HIS 407 Ca 0.22 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 3jx3 h HIS 407 Cb 0.32 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 3jx3 h HIS 407 CO 0.03 0.46 0.10 0.00 0.86 0.00 0.00 177.93 179.38 3jx3 h ALA 408 N 1.54 1.13 -0.09 2.45 0.00 -0.66 0.94 119.26 124.58 3jx3 h ALA 408 Ca -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3jx3 h ALA 408 Cb 0.85 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3jx3 h ALA 408 CO 0.06 0.57 -0.07 2.35 0.00 0.00 0.00 179.25 182.17 3jx3 h TRP 409 N 0.83 0.24 -0.91 0.00 7.01 -1.29 -2.54 115.95 119.29 3jx3 h TRP 409 Ca 0.17 -0.07 0.19 0.00 2.11 0.00 0.00 58.89 61.30 3jx3 h TRP 409 Cb 0.36 -0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.29 3jx3 h TRP 409 CO 0.02 0.60 0.59 -0.09 -2.79 0.00 0.00 178.44 176.78 3jx3 h ARG 410 N -0.19 0.50 -0.01 2.65 2.43 -0.61 -1.61 114.38 117.53 3jx3 h ARG 410 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3jx3 h ARG 410 Cb 0.55 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3jx3 h ARG 410 CO 0.02 0.33 -0.23 0.09 -1.51 0.00 0.00 179.97 178.67 3jx3 n ASN 411 N -4.55 0.99 -4.55 -3.80 3.02 0.29 -4.85 115.26 101.80 3jx3 n ASN 411 Ca 0.19 -0.88 -0.34 0.00 -0.03 0.00 0.00 54.58 53.52 3jx3 n ASN 411 Cb 0.63 0.11 -0.04 0.00 -0.61 0.00 0.00 39.78 39.87 3jx3 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jx3 s ALA 412 N -2.48 1.89 0.18 5.41 0.00 -0.61 -4.71 121.76 121.45 3jx3 s ALA 412 Ca 0.25 -0.74 0.35 0.00 0.00 0.00 0.00 51.96 51.83 3jx3 s ALA 412 Cb 0.19 -4.38 1.55 0.00 0.00 0.00 0.00 23.12 20.48 3jx3 s ALA 412 CO 0.51 -4.30 2.05 0.66 0.00 0.00 0.00 175.76 174.67 3jx3 h SER 413 N 14.79 0.00 0.25 0.00 4.64 -1.89 -1.90 113.55 129.44 3jx3 h SER 413 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3jx3 h SER 413 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3jx3 h SER 413 CO 1.20 0.00 -0.12 0.54 -0.87 0.00 0.00 176.83 177.58 3jx3 n ARG 414 N -3.05 0.89 -3.53 4.77 1.74 -1.26 -0.98 116.66 115.23 3jx3 n ARG 414 Ca -0.00 -0.39 -0.39 0.00 -0.77 0.00 0.00 57.85 56.30 3jx3 n ARG 414 Cb 0.26 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.10 3jx3 n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jx3 n VAL 416 N 5.10 0.49 -0.80 0.00 3.14 -1.26 -3.95 118.33 121.05 3jx3 n VAL 416 Ca -0.13 -0.05 0.08 0.00 -2.96 0.00 0.00 64.34 61.29 3jx3 n VAL 416 Cb 0.51 -0.70 0.37 0.00 -1.06 0.00 0.00 33.84 32.96 3jx3 n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jx3 n GLY 417 N 1.00 3.02 0.00 7.55 0.00 -1.26 -4.47 105.19 111.03 3jx3 n GLY 417 Ca 0.05 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.26 3jx3 n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jx3 n ARG 418 N 0.69 0.37 0.31 1.61 1.74 -1.25 -2.89 116.66 117.24 3jx3 n ARG 418 Ca 0.26 0.07 0.20 0.00 -0.77 0.00 0.00 57.85 57.61 3jx3 n ARG 418 Cb 1.04 -1.50 1.04 0.00 -1.02 0.00 0.00 32.46 32.03 3jx3 n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jx3 h ILE 419 N 0.00 0.12 -0.01 0.55 2.10 -1.89 -0.36 117.51 118.03 3jx3 h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jx3 h ILE 419 Cb 0.10 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 36.73 3jx3 h ILE 419 CO 0.00 0.00 -0.13 0.00 -1.08 0.00 0.00 178.15 176.94 3jx3 n GLN 420 N -3.22 1.30 -0.32 2.19 1.13 -1.14 -4.65 117.38 112.66 3jx3 n GLN 420 Ca -0.02 -0.78 0.11 0.00 -1.94 0.00 0.00 57.00 54.37 3jx3 n GLN 420 Cb 0.18 -1.48 0.33 0.00 0.11 0.00 0.00 30.24 29.37 3jx3 n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jx3 h TRP 421 N 1.91 0.96 0.00 1.08 5.08 -1.29 0.31 115.95 124.00 3jx3 h TRP 421 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3jx3 h TRP 421 Cb 0.53 -0.30 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 3jx3 h TRP 421 CO 0.00 0.33 0.00 -1.13 -1.28 0.00 0.00 178.44 176.36 3jx3 n SER 422 N -4.62 0.07 -0.46 0.11 3.41 -1.26 -3.50 113.62 107.38 3jx3 n SER 422 Ca 0.19 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 3jx3 n SER 422 Cb 0.46 -0.53 0.42 0.00 -0.26 0.00 0.00 64.21 64.30 3jx3 n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jx3 n LYS 423 N -1.57 1.61 -1.71 4.33 5.02 0.11 -4.96 118.16 120.99 3jx3 n LYS 423 Ca 0.05 -0.91 -0.43 0.00 -2.02 0.00 0.00 58.31 55.00 3jx3 n LYS 423 Cb 0.27 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 3jx3 n LYS 423 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3jx3 n LEU 424 N 0.14 3.76 -4.63 -0.35 7.94 -1.23 -4.85 117.00 117.78 3jx3 n LEU 424 Ca 0.16 1.07 -0.40 0.00 -1.11 0.00 0.00 56.01 55.73 3jx3 n LEU 424 Cb 0.29 -1.53 -0.06 0.00 0.53 0.00 0.00 43.42 42.64 3jx3 n LEU 424 CO 0.13 0.04 0.36 -1.58 -1.11 0.00 0.00 177.39 175.23 3jx3 s GLN 425 N 0.96 4.12 -0.21 1.96 2.00 -0.95 -4.98 119.66 122.55 3jx3 s GLN 425 Ca 0.75 0.52 -0.08 0.00 -2.00 0.00 0.00 55.36 54.55 3jx3 s GLN 425 Cb -0.56 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 29.58 3jx3 s GLN 425 CO 0.35 -0.38 0.08 0.08 -0.50 0.00 0.00 175.29 174.92 3jx3 s VAL 426 N 2.39 4.71 -0.29 1.34 1.01 -1.26 -1.34 120.40 126.96 3jx3 s VAL 426 Ca 0.26 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 3jx3 s VAL 426 Cb -0.16 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3jx3 s VAL 426 CO 0.09 0.40 0.08 -0.36 0.00 0.00 0.00 175.10 175.31 3jx3 s PHE 427 N 0.89 3.13 -0.66 5.22 0.08 0.68 -4.97 117.98 122.34 3jx3 s PHE 427 Ca 0.04 -0.85 -0.26 0.00 0.12 0.00 0.00 56.93 55.98 3jx3 s PHE 427 Cb -0.14 -2.26 0.04 0.00 -0.57 0.00 0.00 43.02 40.09 3jx3 s PHE 427 CO 0.03 -0.53 1.17 0.34 -0.10 0.00 0.00 175.22 176.13 3jx3 s ASP 428 N 1.53 6.26 -0.34 1.36 3.68 -1.26 -1.21 116.67 126.68 3jx3 s ASP 428 Ca 0.04 -0.38 0.08 0.00 2.13 0.00 0.00 52.55 54.41 3jx3 s ASP 428 Cb -0.17 -2.52 0.58 0.00 -1.45 0.00 0.00 42.92 39.36 3jx3 s ASP 428 CO 0.03 -1.62 1.63 0.00 0.13 0.00 0.00 175.17 175.35 3jx3 n ALA 429 N 8.66 4.71 0.39 3.66 0.00 0.28 -4.65 120.51 133.56 3jx3 n ALA 429 Ca 0.03 -2.99 0.10 0.00 0.00 0.00 0.00 53.44 50.59 3jx3 n ALA 429 Cb 0.48 -1.00 0.44 0.00 0.00 0.00 0.00 19.45 19.37 3jx3 n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jx3 n ARG 430 N -1.05 0.14 0.00 0.00 1.74 -1.07 -1.94 116.66 114.47 3jx3 n ARG 430 Ca 0.42 0.40 0.15 0.00 -0.77 0.00 0.00 57.85 58.05 3jx3 n ARG 430 Cb 1.26 -1.78 0.73 0.00 -1.02 0.00 0.00 32.46 31.65 3jx3 n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jx3 n ASP 431 N -2.05 0.57 -4.77 0.55 3.85 -1.26 -4.47 116.55 108.97 3jx3 n ASP 431 Ca 0.02 -1.02 -0.41 0.00 -0.71 0.00 0.00 54.79 52.67 3jx3 n ASP 431 Cb 0.20 -0.02 -0.02 0.00 -1.35 0.00 0.00 41.12 39.92 3jx3 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3jx3 n THR 433 N 0.68 0.00 -4.31 0.00 -2.24 -1.26 -4.76 114.28 102.39 3jx3 n THR 433 Ca 0.00 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 3jx3 n THR 433 Cb 0.41 0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 69.02 3jx3 n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jx3 s THR 434 N -1.15 0.82 0.22 4.28 -4.23 -1.26 -4.68 115.64 109.64 3jx3 s THR 434 Ca 0.00 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 3jx3 s THR 434 Cb 0.00 -2.40 0.07 0.00 1.34 0.00 0.00 72.50 71.51 3jx3 s THR 434 CO 0.00 -0.25 1.67 0.00 -0.54 0.00 0.00 174.62 175.50 3jx3 h ALA 435 N 2.48 0.92 -0.36 3.99 0.00 -1.90 -1.19 119.26 123.20 3jx3 h ALA 435 Ca -0.38 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.27 3jx3 h ALA 435 Cb 1.23 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3jx3 h ALA 435 CO 0.63 0.63 0.04 0.45 0.00 0.00 0.00 179.25 181.00 3jx3 h HIS 436 N 0.81 0.06 -0.64 0.00 -0.00 -1.96 0.57 115.15 113.99 3jx3 h HIS 436 Ca 0.14 0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.65 3jx3 h HIS 436 Cb 0.59 0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 27.95 3jx3 h HIS 436 CO 0.03 -0.02 0.19 0.78 -0.00 0.00 0.00 177.93 178.91 3jx3 h GLY 437 N 0.15 0.87 1.00 2.45 0.00 -1.85 -1.90 103.07 103.79 3jx3 h GLY 437 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3jx3 h GLY 437 CO -0.25 -0.09 0.42 -0.33 0.00 0.00 0.00 176.54 176.29 3jx3 h MET 438 N 0.33 0.95 -0.41 4.80 0.00 -0.28 -1.56 114.93 118.75 3jx3 h MET 438 Ca 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 59.70 59.94 3jx3 h MET 438 Cb 0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 31.60 31.86 3jx3 h MET 438 CO -0.38 0.67 0.20 0.35 0.00 0.00 0.00 176.91 177.75 3jx3 h PHE 439 N 0.95 0.58 -0.23 -0.22 3.04 -0.48 -0.27 116.94 120.31 3jx3 h PHE 439 Ca 0.25 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.22 3jx3 h PHE 439 Cb -0.03 -0.18 -0.05 0.00 2.56 0.00 0.00 35.95 38.25 3jx3 h PHE 439 CO -0.01 0.48 -0.07 -0.97 -2.02 0.00 0.00 178.31 175.71 3jx3 h ASN 440 N 0.52 -0.25 -0.64 0.41 -1.24 -0.91 -0.47 115.58 113.00 3jx3 h ASN 440 Ca 0.14 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.23 3jx3 h ASN 440 Cb 0.10 0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.28 3jx3 h ASN 440 CO -0.02 -0.09 0.41 1.88 -1.29 0.00 0.00 177.43 178.32 3jx3 h TYR 441 N -0.02 0.82 -0.10 0.67 -1.99 -1.06 -1.63 116.97 113.65 3jx3 h TYR 441 Ca 0.12 0.01 -0.19 0.00 2.00 0.00 0.00 58.73 60.67 3jx3 h TYR 441 Cb 0.19 -0.27 0.01 0.00 2.00 0.00 0.00 36.73 38.66 3jx3 h TYR 441 CO -0.25 0.52 -0.67 0.82 -0.00 0.00 0.00 178.16 178.58 3jx3 h ILE 442 N 0.87 1.33 -0.87 -2.88 2.04 -0.51 0.04 117.51 117.52 3jx3 h ILE 442 Ca 0.23 -1.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.13 3jx3 h ILE 442 Cb -0.08 2.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 3jx3 h ILE 442 CO -0.05 0.60 0.49 0.00 0.00 0.00 0.00 178.15 179.19 3jx3 h ASN 444 N 1.22 0.86 0.35 0.00 2.35 -1.09 -1.02 115.58 118.25 3jx3 h ASN 444 Ca 0.31 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3jx3 h ASN 444 Cb 0.01 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 3jx3 h ASN 444 CO -0.05 0.93 -0.19 -0.74 -1.65 0.00 0.00 177.43 175.72 3jx3 h HIS 445 N 0.81 -0.49 -0.72 1.19 2.76 -0.06 -1.36 115.15 117.28 3jx3 h HIS 445 Ca 0.15 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.40 3jx3 h HIS 445 Cb 0.50 0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.56 3jx3 h HIS 445 CO 0.03 -0.30 0.37 0.28 -1.30 0.00 0.00 177.93 177.01 3jx3 h VAL 446 N -0.50 0.88 -0.23 5.26 2.07 -0.08 -0.04 116.25 123.60 3jx3 h VAL 446 Ca -0.04 -0.22 -0.17 0.00 0.82 0.00 0.00 66.70 67.09 3jx3 h VAL 446 Cb 0.40 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3jx3 h VAL 446 CO 0.06 0.12 -0.52 0.50 0.02 0.00 0.00 177.57 177.75 3jx3 h LYS 447 N 0.64 0.75 -0.10 1.57 3.64 -1.14 -1.52 116.57 120.41 3jx3 h LYS 447 Ca 0.35 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3jx3 h LYS 447 Cb 0.34 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3jx3 h LYS 447 CO -0.25 1.13 0.04 -0.92 -2.27 0.00 0.00 179.45 177.17 3jx3 h TYR 448 N 0.48 0.16 -0.44 1.91 3.20 -0.68 -2.03 116.97 119.57 3jx3 h TYR 448 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3jx3 h TYR 448 Cb 1.13 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 3jx3 h TYR 448 CO 0.08 0.28 0.16 0.00 -1.64 0.00 0.00 178.16 177.05 3jx3 h ALA 449 N 0.86 0.57 -0.09 1.82 0.00 -1.07 -3.26 119.26 118.09 3jx3 h ALA 449 Ca 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3jx3 h ALA 449 Cb 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3jx3 h ALA 449 CO -0.00 0.19 0.02 1.15 0.00 0.00 0.00 179.25 180.60 3jx3 h THR 450 N 0.56 1.21 -6.28 0.00 2.02 -1.26 -0.05 112.91 109.12 3jx3 h THR 450 Ca 0.14 -0.65 -0.47 0.00 0.77 0.00 0.00 66.41 66.20 3jx3 h THR 450 Cb 0.21 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 3jx3 h THR 450 CO -0.01 0.19 -0.76 -3.20 0.37 0.00 0.00 175.52 172.11 3jx3 n ASN 451 N -4.87 -4.81 -2.41 4.18 5.15 -0.77 -0.60 115.26 111.13 3jx3 n ASN 451 Ca -0.06 -0.77 -0.17 0.00 -0.60 0.00 0.00 54.58 52.98 3jx3 n ASN 451 Cb 0.16 -3.95 -0.01 0.00 -0.53 0.00 0.00 39.78 35.45 3jx3 n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jx3 n LYS 452 N -4.70 -1.90 0.00 1.20 5.02 -1.26 -2.21 118.16 114.31 3jx3 n LYS 452 Ca 0.03 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 3jx3 n LYS 452 Cb 0.53 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 30.06 3jx3 n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jx3 n GLY 453 N -0.93 2.33 3.40 0.72 0.00 0.23 -4.94 105.19 106.00 3jx3 n GLY 453 Ca -0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.37 3jx3 n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jx3 s ASN 454 N -1.59 7.11 0.48 1.61 3.04 -0.94 -0.64 114.94 124.02 3jx3 s ASN 454 Ca 0.00 -3.13 -0.22 0.00 0.04 0.00 0.00 52.86 49.55 3jx3 s ASN 454 Cb 0.00 -2.31 -0.07 0.00 -1.54 0.00 0.00 41.25 37.33 3jx3 s ASN 454 CO 0.00 -0.57 1.13 -0.76 -3.04 0.00 0.00 177.10 173.86 3jx3 s LEU 455 N 0.39 3.92 -0.03 3.21 1.43 -1.25 -4.53 118.68 121.82 3jx3 s LEU 455 Ca 0.35 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.68 3jx3 s LEU 455 Cb -0.07 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.78 3jx3 s LEU 455 CO -0.05 -0.96 -0.11 -0.13 0.23 0.00 0.00 176.35 175.33 3jx3 s ARG 456 N -2.92 1.23 0.33 1.70 0.52 -0.03 -5.03 118.95 114.75 3jx3 s ARG 456 Ca 0.66 -0.40 -0.28 0.00 -0.52 0.00 0.00 55.73 55.20 3jx3 s ARG 456 Cb -0.25 -1.11 -0.10 0.00 0.52 0.00 0.00 34.95 34.01 3jx3 s ARG 456 CO 0.30 0.14 1.21 -1.54 0.02 0.00 0.00 175.30 175.43 3jx3 s SER 457 N 0.18 6.90 0.04 0.23 1.04 -1.26 -4.43 113.70 116.40 3jx3 s SER 457 Ca -0.04 2.48 -0.16 0.00 0.48 0.00 0.00 55.95 58.71 3jx3 s SER 457 Cb -0.10 -2.64 0.03 0.00 0.10 0.00 0.00 66.02 63.42 3jx3 s SER 457 CO 0.01 -0.42 0.36 0.00 0.98 0.00 0.00 173.24 174.17 3jx3 s ALA 458 N -1.20 -0.87 0.04 5.32 0.00 -0.83 -2.25 121.76 121.97 3jx3 s ALA 458 Ca 0.49 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.66 3jx3 s ALA 458 Cb -0.35 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3jx3 s ALA 458 CO 0.46 -0.43 -0.08 -1.50 0.00 0.00 0.00 175.76 174.21 3jx3 s ILE 459 N -2.45 0.62 -0.10 0.00 2.07 -0.45 -1.13 121.20 119.77 3jx3 s ILE 459 Ca -0.06 -0.95 0.03 0.00 -1.41 0.00 0.00 60.65 58.26 3jx3 s ILE 459 Cb -0.01 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.95 3jx3 s ILE 459 CO -0.02 -0.25 -0.18 -0.89 -1.91 0.00 0.00 174.94 171.68 3jx3 s THR 460 N -1.12 1.64 -0.26 4.00 2.01 0.04 -0.23 115.64 121.71 3jx3 s THR 460 Ca -0.06 -0.75 -0.00 0.00 0.31 0.00 0.00 61.69 61.18 3jx3 s THR 460 Cb -0.09 -1.47 0.04 0.00 0.01 0.00 0.00 72.50 71.00 3jx3 s THR 460 CO 0.01 0.47 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.71 3jx3 s ILE 461 N 0.73 2.68 0.79 1.82 1.01 -0.35 -2.90 121.20 124.98 3jx3 s ILE 461 Ca -0.12 -1.27 -0.10 0.00 0.00 0.00 0.00 60.65 59.16 3jx3 s ILE 461 Cb -0.16 -2.45 0.10 0.00 0.01 0.00 0.00 42.46 39.96 3jx3 s ILE 461 CO 0.02 0.08 1.13 -0.36 0.00 0.00 0.00 174.94 175.81 3jx3 s PHE 462 N 1.25 2.53 0.64 3.97 0.08 -0.67 -0.55 117.98 125.23 3jx3 s PHE 462 Ca -0.03 0.45 -0.18 0.00 0.12 0.00 0.00 56.93 57.29 3jx3 s PHE 462 Cb -0.18 -3.47 -0.02 0.00 -0.57 0.00 0.00 43.02 38.77 3jx3 s PHE 462 CO -0.04 -1.82 1.07 -2.30 -0.10 0.00 0.00 175.22 172.04 3jx3 n PRO 463 N -3.22 0.87 -2.19 0.24 -0.02 -1.26 -4.69 135.00 124.74 3jx3 n PRO 463 Ca 0.10 0.35 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 3jx3 n PRO 463 Cb 0.60 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 3jx3 n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jx3 s GLN 464 N -3.09 3.51 0.30 -0.52 -2.07 -1.26 -4.56 119.66 111.98 3jx3 s GLN 464 Ca 0.78 1.17 -0.27 0.00 -1.82 0.00 0.00 55.36 55.23 3jx3 s GLN 464 Cb -0.39 -2.06 -0.14 0.00 -1.09 0.00 0.00 33.01 29.33 3jx3 s GLN 464 CO 0.45 -0.65 0.89 -2.13 -1.32 0.00 0.00 175.29 172.53 3jx3 n ARG 465 N -1.79 1.07 0.00 9.60 0.63 0.98 -4.93 116.66 122.21 3jx3 n ARG 465 Ca 0.08 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 3jx3 n ARG 465 Cb 0.53 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 31.74 3jx3 n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jx3 n THR 466 N -0.00 0.00 0.57 5.15 -2.24 -1.26 -4.77 114.28 111.72 3jx3 n THR 466 Ca 0.11 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.00 3jx3 n THR 466 Cb 0.32 -0.30 0.26 0.00 -2.10 0.00 0.00 70.33 68.51 3jx3 n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jx3 n ASP 467 N -0.28 2.96 0.00 3.42 5.68 -1.26 -4.94 116.55 122.13 3jx3 n ASP 467 Ca 0.00 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 3jx3 n ASP 467 Cb 0.00 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 3jx3 n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3jx3 n GLY 468 N 1.40 0.56 0.71 6.12 0.00 -1.26 -4.80 105.19 107.92 3jx3 n GLY 468 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3jx3 n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jx3 n LYS 469 N -2.07 1.46 -2.46 1.61 5.02 -1.26 -4.50 118.16 115.97 3jx3 n LYS 469 Ca 0.00 -1.56 -0.13 0.00 -2.02 0.00 0.00 58.31 54.59 3jx3 n LYS 469 Cb 0.06 -1.34 0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3jx3 n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jx3 n HIS 470 N 0.99 2.07 -2.39 2.13 8.25 -1.26 -4.40 115.22 120.61 3jx3 n HIS 470 Ca 0.10 -2.36 -0.41 0.00 -0.26 0.00 0.00 57.72 54.80 3jx3 n HIS 470 Cb 0.44 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 3jx3 n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jx3 s ASP 471 N -3.62 7.12 -0.06 0.41 1.11 -1.26 -3.63 116.67 116.74 3jx3 s ASP 471 Ca 0.39 2.26 -0.23 0.00 0.18 0.00 0.00 52.55 55.15 3jx3 s ASP 471 Cb 0.38 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.72 3jx3 s ASP 471 CO -0.02 -0.32 0.68 -0.36 1.18 0.00 0.00 175.17 176.33 3jx3 s PHE 472 N -0.36 3.59 -0.01 4.23 0.40 -1.26 -1.09 117.98 123.48 3jx3 s PHE 472 Ca 0.51 1.23 -0.02 0.00 -0.60 0.00 0.00 56.93 58.05 3jx3 s PHE 472 Cb -0.33 -2.77 0.00 0.00 0.51 0.00 0.00 43.02 40.43 3jx3 s PHE 472 CO 0.38 0.13 0.05 1.03 0.70 0.00 0.00 175.22 177.52 3jx3 s ARG 473 N 0.65 0.18 -0.29 0.44 1.81 -0.42 -3.05 118.95 118.27 3jx3 s ARG 473 Ca 0.36 -0.12 -0.11 0.00 -1.72 0.00 0.00 55.73 54.14 3jx3 s ARG 473 Cb -0.18 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.35 3jx3 s ARG 473 CO 0.18 -0.03 0.20 0.08 -0.68 0.00 0.00 175.30 175.04 3jx3 s VAL 474 N -0.46 5.28 0.18 3.52 1.01 -1.26 -1.11 120.40 127.57 3jx3 s VAL 474 Ca -0.05 0.09 0.18 0.00 0.00 0.00 0.00 61.98 62.20 3jx3 s VAL 474 Cb -0.03 -3.55 0.12 0.00 0.00 0.00 0.00 36.38 32.91 3jx3 s VAL 474 CO 0.00 0.20 1.72 -0.50 0.00 0.00 0.00 175.10 176.53 3jx3 h TRP 475 N 8.39 0.00 -4.05 5.22 4.06 -1.32 -3.42 115.95 124.83 3jx3 h TRP 475 Ca -0.34 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.09 3jx3 h TRP 475 Cb 1.18 0.00 0.09 0.00 -1.00 0.00 0.00 29.16 29.44 3jx3 h TRP 475 CO 0.74 0.40 0.50 -0.80 -3.56 0.00 0.00 178.44 175.72 3jx3 s ASN 476 N -6.49 5.68 0.27 -3.49 -0.87 -1.26 -4.87 114.94 103.91 3jx3 s ASN 476 Ca -0.00 2.41 0.14 0.00 -1.57 0.00 0.00 52.86 53.83 3jx3 s ASN 476 Cb 0.11 -2.61 0.17 0.00 -0.02 0.00 0.00 41.25 38.90 3jx3 s ASN 476 CO 0.69 -1.26 1.49 0.77 -2.57 0.00 0.00 177.10 176.22 3jx3 h SER 477 N 1.53 0.00 -5.01 -1.22 4.64 -1.90 -3.34 113.55 108.25 3jx3 h SER 477 Ca -0.50 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.65 3jx3 h SER 477 Cb 1.27 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.16 3jx3 h SER 477 CO 0.58 0.59 -0.70 -1.10 -0.87 0.00 0.00 176.83 175.33 3jx3 s GLN 478 N -3.09 0.37 0.35 4.77 -0.21 -1.26 -1.11 119.66 119.48 3jx3 s GLN 478 Ca 0.02 -0.71 0.03 0.00 0.02 0.00 0.00 55.36 54.71 3jx3 s GLN 478 Cb 0.09 0.11 0.65 0.00 1.00 0.00 0.00 33.01 34.85 3jx3 s GLN 478 CO 0.75 -0.05 2.01 -0.07 -2.12 0.00 0.00 175.29 175.80 3jx3 h LEU 479 N 4.41 0.71 -7.91 2.90 3.38 -1.11 -3.38 115.31 114.31 3jx3 h LEU 479 Ca -0.32 -0.02 -0.63 0.00 0.09 0.00 0.00 57.88 56.99 3jx3 h LEU 479 Cb 1.20 -0.18 -0.36 0.00 0.09 0.00 0.00 40.66 41.41 3jx3 h LEU 479 CO 0.45 0.52 -0.83 -0.63 0.09 0.00 0.00 178.44 178.04 3jx3 s ILE 480 N -5.69 1.78 0.13 1.22 1.01 -1.26 -4.90 121.20 113.49 3jx3 s ILE 480 Ca -0.10 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.51 3jx3 s ILE 480 Cb 0.18 -1.73 0.02 0.00 0.01 0.00 0.00 42.46 40.93 3jx3 s ILE 480 CO 0.76 0.35 0.32 -0.13 0.00 0.00 0.00 174.94 176.25 3jx3 s ARG 481 N 1.37 1.03 0.14 2.79 0.52 -1.26 -4.85 118.95 118.69 3jx3 s ARG 481 Ca 0.02 -0.88 -0.05 0.00 -0.52 0.00 0.00 55.73 54.30 3jx3 s ARG 481 Cb -0.14 0.42 -0.06 0.00 0.52 0.00 0.00 34.95 35.69 3jx3 s ARG 481 CO -0.10 -0.38 0.37 0.71 0.02 0.00 0.00 175.30 175.91 3jx3 s TYR 482 N -3.85 3.48 0.65 -0.53 1.51 -1.26 -0.78 117.35 116.56 3jx3 s TYR 482 Ca 0.06 0.55 -0.14 0.00 -1.01 0.00 0.00 57.07 56.54 3jx3 s TYR 482 Cb 0.03 -2.00 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 3jx3 s TYR 482 CO -0.09 0.44 1.07 0.00 -1.11 0.00 0.00 175.55 175.86 3jx3 s ALA 483 N -1.64 2.64 -0.06 3.71 0.00 -0.11 -4.52 121.76 121.78 3jx3 s ALA 483 Ca 0.40 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.70 3jx3 s ALA 483 Cb -0.12 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.77 3jx3 s ALA 483 CO 0.24 -1.09 -0.15 0.20 0.00 0.00 0.00 175.76 174.96 3jx3 s GLY 484 N -3.13 0.86 -0.07 0.00 0.00 -1.21 -1.17 107.32 102.60 3jx3 s GLY 484 Ca 0.62 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.82 3jx3 s GLY 484 CO 0.45 -0.11 -0.13 -0.19 0.00 0.00 0.00 173.10 173.12 3jx3 s TYR 485 N 0.37 1.57 0.34 1.90 1.51 -0.30 -4.19 117.35 118.55 3jx3 s TYR 485 Ca -0.10 -0.58 -0.27 0.00 -1.01 0.00 0.00 57.07 55.11 3jx3 s TYR 485 Cb -0.14 -1.13 -0.09 0.00 -0.11 0.00 0.00 41.96 40.49 3jx3 s TYR 485 CO 0.03 -0.29 1.10 0.15 -1.11 0.00 0.00 175.55 175.44 3jx3 s LYS 486 N 0.61 4.37 0.07 -0.62 1.02 -1.26 -1.02 119.74 122.91 3jx3 s LYS 486 Ca -0.15 1.73 0.08 0.00 0.02 0.00 0.00 55.97 57.66 3jx3 s LYS 486 Cb -0.16 -2.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 3jx3 s LYS 486 CO 0.04 -0.01 -0.22 -0.65 -0.92 0.00 0.00 175.35 173.59 3jx3 s GLN 487 N -1.95 1.30 0.32 1.68 -0.21 -0.92 -4.93 119.66 114.95 3jx3 s GLN 487 Ca 0.51 -1.07 0.09 0.00 0.02 0.00 0.00 55.36 54.91 3jx3 s GLN 487 Cb -0.29 -1.52 0.95 0.00 1.00 0.00 0.00 33.01 33.15 3jx3 s GLN 487 CO 0.37 0.37 1.63 -1.35 -2.12 0.00 0.00 175.29 174.19 3jx3 h PRO 488 N 4.46 0.18 -1.80 2.91 0.11 -1.98 1.20 132.00 137.09 3jx3 h PRO 488 Ca -0.45 -0.01 0.52 0.00 0.11 0.00 0.00 66.00 66.17 3jx3 h PRO 488 Cb 1.17 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 3jx3 h PRO 488 CO 0.42 0.12 1.39 0.22 -0.21 0.00 0.00 178.00 179.93 3jx3 h ASP 489 N 0.19 0.00 0.00 -2.05 -0.00 -2.03 -3.45 116.42 109.08 3jx3 h ASP 489 Ca 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.70 3jx3 h ASP 489 Cb 1.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.83 3jx3 h ASP 489 CO -0.70 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.15 3jx3 n GLY 490 N -1.89 3.07 0.00 -0.78 0.00 0.41 -5.04 105.19 100.96 3jx3 n GLY 490 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3jx3 n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jx3 n SER 491 N 0.00 0.00 -4.14 1.61 3.41 -1.25 -4.82 113.62 108.42 3jx3 n SER 491 Ca 0.00 -0.29 -0.26 0.00 -0.26 0.00 0.00 58.87 58.06 3jx3 n SER 491 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 3jx3 n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3jx3 s THR 492 N 1.51 1.46 -0.15 6.66 2.01 -1.26 -2.17 115.64 123.70 3jx3 s THR 492 Ca 0.00 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 3jx3 s THR 492 Cb 0.00 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 3jx3 s THR 492 CO 0.00 0.42 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.11 3jx3 s LEU 493 N -0.00 3.39 0.00 4.42 2.96 -0.19 -4.96 118.68 124.30 3jx3 s LEU 493 Ca -0.03 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3jx3 s LEU 493 Cb -0.11 -1.82 0.00 0.00 0.50 0.00 0.00 46.19 44.76 3jx3 s LEU 493 CO 0.02 0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.87 3jx3 n GLY 494 N 3.30 0.23 3.52 7.98 0.00 -1.26 -1.15 105.19 117.81 3jx3 n GLY 494 Ca -0.17 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 3jx3 n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jx3 s ASP 495 N -4.00 6.24 0.60 1.61 -1.08 -0.31 -4.78 116.67 114.95 3jx3 s ASP 495 Ca 0.00 -0.40 0.35 0.00 -0.52 0.00 0.00 52.55 51.98 3jx3 s ASP 495 Cb 0.00 -2.25 1.93 0.00 -1.46 0.00 0.00 42.92 41.14 3jx3 s ASP 495 CO 0.00 -0.55 2.24 -0.65 0.52 0.00 0.00 175.17 176.73 3jx3 h PRO 496 N 8.65 0.00 0.00 4.34 0.11 -1.80 -2.40 132.00 140.90 3jx3 h PRO 496 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3jx3 h PRO 496 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3jx3 h PRO 496 CO 0.79 0.03 -0.03 0.00 -0.21 0.00 0.00 178.00 178.57 3jx3 h ALA 497 N 1.97 1.70 -0.30 -0.75 0.00 -1.93 -3.06 119.26 116.89 3jx3 h ALA 497 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jx3 h ALA 497 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3jx3 h ALA 497 CO 0.00 0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3jx3 n ASN 498 N -4.14 3.88 0.15 0.00 3.02 -0.90 -4.65 115.26 112.61 3jx3 n ASN 498 Ca -0.03 -2.84 -0.14 0.00 -0.03 0.00 0.00 54.58 51.54 3jx3 n ASN 498 Cb 0.12 -0.51 -0.08 0.00 -0.61 0.00 0.00 39.78 38.70 3jx3 n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jx3 h VAL 499 N 2.04 0.80 -0.32 2.41 2.07 -1.63 -0.44 116.25 121.18 3jx3 h VAL 499 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3jx3 h VAL 499 Cb 1.37 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3jx3 h VAL 499 CO 0.21 0.03 0.20 -0.61 0.02 0.00 0.00 177.57 177.42 3jx3 h GLN 500 N -0.38 0.42 -0.44 1.57 4.15 -1.86 -2.35 115.11 116.22 3jx3 h GLN 500 Ca -0.03 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3jx3 h GLN 500 Cb 0.29 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3jx3 h GLN 500 CO 0.05 0.29 0.28 0.35 -1.93 0.00 0.00 178.83 177.87 3jx3 h PHE 501 N 0.42 0.56 -0.96 3.99 3.57 -1.87 -1.72 116.94 120.93 3jx3 h PHE 501 Ca 0.12 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.77 3jx3 h PHE 501 Cb -0.03 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 38.43 3jx3 h PHE 501 CO -0.05 0.38 0.58 1.15 -2.23 0.00 0.00 178.31 178.13 3jx3 h THR 502 N 0.58 0.81 -0.09 4.41 2.02 -0.78 0.30 112.91 120.17 3jx3 h THR 502 Ca 0.16 -0.29 -0.19 0.00 0.77 0.00 0.00 66.41 66.86 3jx3 h THR 502 Cb -0.04 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.28 3jx3 h THR 502 CO -0.03 0.15 -0.75 -0.33 0.37 0.00 0.00 175.52 174.93 3jx3 h GLU 503 N 0.83 0.48 -0.78 6.66 5.08 -0.89 -0.93 114.58 125.03 3jx3 h GLU 503 Ca 0.51 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3jx3 h GLU 503 Cb 0.66 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 3jx3 h GLU 503 CO -0.32 1.03 0.45 0.82 -1.00 0.00 0.00 179.01 179.99 3jx3 h ILE 504 N 0.32 1.23 0.32 3.13 2.04 -0.43 0.24 117.51 124.36 3jx3 h ILE 504 Ca -0.04 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 3jx3 h ILE 504 Cb 1.34 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3jx3 h ILE 504 CO 0.13 0.24 -0.26 0.00 0.00 0.00 0.00 178.15 178.26 3jx3 h ILE 506 N -0.59 0.96 0.00 0.00 2.04 -0.93 0.32 117.51 119.30 3jx3 h ILE 506 Ca -0.02 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3jx3 h ILE 506 Cb 0.52 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3jx3 h ILE 506 CO -0.02 0.11 -0.10 -0.61 0.00 0.00 0.00 178.15 177.53 3jx3 h GLN 507 N 0.58 0.00 0.00 2.37 4.15 -0.36 -0.02 115.11 121.83 3jx3 h GLN 507 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 3jx3 h GLN 507 Cb 0.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.84 3jx3 h GLN 507 CO -0.17 0.10 -0.31 1.04 -1.93 0.00 0.00 178.83 177.56 3jx3 n GLN 508 N -4.24 0.25 0.00 1.69 1.13 0.45 -4.94 117.38 111.72 3jx3 n GLN 508 Ca -0.03 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 3jx3 n GLN 508 Cb 0.18 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 28.81 3jx3 n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jx3 n GLY 509 N 1.34 0.74 3.76 1.08 0.00 -0.01 -4.99 105.19 107.11 3jx3 n GLY 509 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3jx3 n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jx3 s TRP 510 N -1.24 3.08 -0.62 1.61 -0.00 -0.57 -4.96 118.94 116.24 3jx3 s TRP 510 Ca 0.00 1.32 -0.21 0.00 -0.00 0.00 0.00 56.10 57.21 3jx3 s TRP 510 Cb 0.00 -3.69 0.08 0.00 -0.00 0.00 0.00 33.47 29.86 3jx3 s TRP 510 CO 0.00 -1.99 0.85 0.15 -0.00 0.00 0.00 176.95 175.96 3jx3 s LYS 511 N -1.30 3.09 0.08 5.86 1.02 -1.26 -4.50 119.74 122.73 3jx3 s LYS 511 Ca 0.52 -1.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 3jx3 s LYS 511 Cb -0.40 -4.23 -0.06 0.00 -0.52 0.00 0.00 37.83 32.63 3jx3 s LYS 511 CO 0.49 -1.68 1.14 0.00 -0.92 0.00 0.00 175.35 174.38 3jx3 s ALA 512 N 3.49 3.35 -1.62 5.17 0.00 -1.26 -4.93 121.76 125.96 3jx3 s ALA 512 Ca 0.18 0.79 0.26 0.00 0.00 0.00 0.00 51.96 53.19 3jx3 s ALA 512 Cb -0.20 -3.41 1.37 0.00 0.00 0.00 0.00 23.12 20.89 3jx3 s ALA 512 CO 0.09 -0.35 1.87 -2.30 0.00 0.00 0.00 175.76 175.07 3jx3 n PRO 513 N 3.54 0.51 -3.70 0.00 -0.02 -1.26 -4.92 135.00 129.15 3jx3 n PRO 513 Ca 0.07 0.03 -0.23 0.00 -2.02 0.00 0.00 63.50 61.36 3jx3 n PRO 513 Cb 0.47 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.49 3jx3 n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3jx3 n ARG 514 N -1.19 -5.42 -4.07 -0.52 5.12 -1.26 -5.01 116.66 104.30 3jx3 n ARG 514 Ca 0.14 0.66 -0.28 0.00 -1.93 0.00 0.00 57.85 56.44 3jx3 n ARG 514 Cb 0.16 -5.36 -0.02 0.00 -1.16 0.00 0.00 32.46 26.08 3jx3 n ARG 514 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3jx3 s GLY 515 N -4.11 2.52 0.23 -0.13 0.00 -1.26 -5.06 107.32 99.52 3jx3 s GLY 515 Ca 0.16 -1.00 0.14 0.00 0.00 0.00 0.00 44.72 44.03 3jx3 s GLY 515 CO 0.80 -2.00 1.34 -0.09 0.00 0.00 0.00 173.10 173.14 3jx3 h ARG 516 N 0.83 0.00 -1.33 2.90 2.43 -1.92 -3.38 114.38 113.92 3jx3 h ARG 516 Ca -0.38 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.34 3jx3 h ARG 516 Cb 1.31 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.45 3jx3 h ARG 516 CO 0.60 0.52 -1.03 1.19 -1.51 0.00 0.00 179.97 179.74 3jx3 n PHE 517 N -3.19 1.90 -3.05 2.20 3.01 -1.26 -4.05 117.46 113.01 3jx3 n PHE 517 Ca 0.00 -3.06 -0.42 0.00 1.01 0.00 0.00 57.45 54.97 3jx3 n PHE 517 Cb 0.77 -0.30 -0.06 0.00 -0.01 0.00 0.00 39.48 39.88 3jx3 n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jx3 s ASP 518 N -3.19 6.41 -0.09 4.37 1.01 -1.26 -4.92 116.67 119.00 3jx3 s ASP 518 Ca 0.36 -0.03 -0.33 0.00 0.71 0.00 0.00 52.55 53.26 3jx3 s ASP 518 Cb 0.42 -2.35 -0.11 0.00 1.01 0.00 0.00 42.92 41.89 3jx3 s ASP 518 CO -0.05 -0.75 1.95 0.52 0.21 0.00 0.00 175.17 177.05 3jx3 n VAL 519 N 5.84 0.59 -1.73 -1.27 0.31 -1.26 -0.93 118.33 119.87 3jx3 n VAL 519 Ca 0.00 -0.15 -0.37 0.00 -0.01 0.00 0.00 64.34 63.81 3jx3 n VAL 519 Cb 0.48 -2.03 0.07 0.00 -0.91 0.00 0.00 33.84 31.46 3jx3 n VAL 519 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3jx3 s LEU 520 N 4.71 3.57 0.67 7.52 1.43 0.04 -4.89 118.68 131.72 3jx3 s LEU 520 Ca 0.94 2.63 -0.11 0.00 -1.03 0.00 0.00 54.13 56.55 3jx3 s LEU 520 Cb -0.61 -4.62 -0.01 0.00 0.03 0.00 0.00 46.19 40.98 3jx3 s LEU 520 CO 0.48 -2.03 1.06 -2.16 0.23 0.00 0.00 176.35 173.93 3jx3 s PRO 521 N -3.39 3.14 0.19 1.29 0.04 -1.26 -4.78 135.00 130.23 3jx3 s PRO 521 Ca 0.83 0.73 -0.15 0.00 0.04 0.00 0.00 61.00 62.45 3jx3 s PRO 521 Cb -0.38 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.06 3jx3 s PRO 521 CO 0.40 -0.90 0.60 -0.51 0.04 0.00 0.00 177.00 176.64 3jx3 s LEU 522 N -5.36 4.28 -0.31 -3.56 1.43 0.99 -4.87 118.68 111.28 3jx3 s LEU 522 Ca 0.57 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.84 3jx3 s LEU 522 Cb -0.12 -3.48 0.09 0.00 0.03 0.00 0.00 46.19 42.71 3jx3 s LEU 522 CO 0.54 0.03 0.01 -0.76 0.23 0.00 0.00 176.35 176.40 3jx3 s LEU 523 N -2.20 3.90 -0.15 1.79 1.43 -1.26 -1.40 118.68 120.80 3jx3 s LEU 523 Ca 0.42 -1.82 -0.04 0.00 -1.03 0.00 0.00 54.13 51.66 3jx3 s LEU 523 Cb -0.14 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3jx3 s LEU 523 CO 0.20 -0.33 -0.01 -0.76 0.23 0.00 0.00 176.35 175.68 3jx3 s LEU 524 N 1.10 3.44 -0.15 1.79 1.43 -0.23 -0.86 118.68 125.20 3jx3 s LEU 524 Ca 0.05 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3jx3 s LEU 524 Cb -0.19 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 3jx3 s LEU 524 CO -0.09 0.21 -0.16 -1.58 0.23 0.00 0.00 176.35 174.95 3jx3 s GLN 525 N 0.11 3.19 -0.05 1.70 0.74 -0.27 -0.54 119.66 124.55 3jx3 s GLN 525 Ca 0.01 -0.77 0.06 0.00 0.05 0.00 0.00 55.36 54.71 3jx3 s GLN 525 Cb -0.13 -2.58 -0.02 0.00 1.10 0.00 0.00 33.01 31.38 3jx3 s GLN 525 CO 0.02 0.04 -0.23 0.00 -0.55 0.00 0.00 175.29 174.56 3jx3 s ALA 526 N 0.76 2.25 -1.42 1.58 0.00 -1.26 -1.29 121.76 122.37 3jx3 s ALA 526 Ca -0.07 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 3jx3 s ALA 526 Cb -0.16 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3jx3 s ALA 526 CO 0.01 0.46 0.02 -1.71 0.00 0.00 0.00 175.76 174.53 3jx3 n ASN 527 N 2.75 -4.92 0.00 0.00 4.05 -1.23 -0.08 115.26 115.83 3jx3 n ASN 527 Ca -0.17 0.08 0.00 0.00 0.45 0.00 0.00 54.58 54.94 3jx3 n ASN 527 Cb 0.52 -4.13 0.00 0.00 1.23 0.00 0.00 39.78 37.40 3jx3 n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jx3 n GLY 528 N -0.93 1.07 3.69 8.20 0.00 -0.25 -4.44 105.19 112.52 3jx3 n GLY 528 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3jx3 n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jx3 s ASN 529 N -2.96 2.89 0.39 1.61 0.01 0.89 -4.85 114.94 112.92 3jx3 s ASN 529 Ca 0.00 1.32 -0.28 0.00 -0.71 0.00 0.00 52.86 53.19 3jx3 s ASN 529 Cb 0.00 -1.99 -0.10 0.00 0.41 0.00 0.00 41.25 39.56 3jx3 s ASN 529 CO 0.00 -2.98 1.47 -1.81 -1.51 0.00 0.00 177.10 172.27 3jx3 s ASP 530 N -3.41 6.28 0.68 -1.22 -0.00 -1.26 -4.31 116.67 113.43 3jx3 s ASP 530 Ca 0.65 3.02 -0.14 0.00 -0.00 0.00 0.00 52.55 56.07 3jx3 s ASP 530 Cb -0.19 -2.67 0.01 0.00 -0.00 0.00 0.00 42.92 40.08 3jx3 s ASP 530 CO 0.58 -0.91 1.11 -2.16 -0.00 0.00 0.00 175.17 173.78 3jx3 s PRO 531 N -2.14 2.70 0.17 8.23 0.04 -1.26 -4.74 135.00 137.99 3jx3 s PRO 531 Ca 0.54 1.37 0.11 0.00 0.04 0.00 0.00 61.00 63.06 3jx3 s PRO 531 Cb -0.46 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 3jx3 s PRO 531 CO 0.62 -1.33 -0.25 -1.21 0.04 0.00 0.00 177.00 174.88 3jx3 s GLU 532 N -4.21 1.45 0.14 4.56 2.02 0.30 -4.88 118.70 118.08 3jx3 s GLU 532 Ca 0.66 -1.45 -0.13 0.00 0.02 0.00 0.00 54.97 54.08 3jx3 s GLU 532 Cb -0.20 -1.82 -0.07 0.00 0.10 0.00 0.00 34.13 32.14 3jx3 s GLU 532 CO 0.44 0.41 0.51 -0.51 0.02 0.00 0.00 175.26 176.13 3jx3 s LEU 533 N -2.44 4.32 -0.13 1.80 1.43 -1.26 -1.07 118.68 121.33 3jx3 s LEU 533 Ca 0.18 0.99 -0.10 0.00 -1.03 0.00 0.00 54.13 54.16 3jx3 s LEU 533 Cb -0.09 -3.24 0.04 0.00 0.03 0.00 0.00 46.19 42.94 3jx3 s LEU 533 CO 0.08 0.10 0.34 -0.36 0.23 0.00 0.00 176.35 176.75 3jx3 s PHE 534 N -1.48 -0.41 -0.21 0.29 0.40 -0.49 -4.96 117.98 111.11 3jx3 s PHE 534 Ca 0.38 0.97 -0.19 0.00 -0.60 0.00 0.00 56.93 57.48 3jx3 s PHE 534 Cb -0.14 0.14 -0.03 0.00 0.51 0.00 0.00 43.02 43.50 3jx3 s PHE 534 CO 0.19 -0.22 0.57 -1.14 0.70 0.00 0.00 175.22 175.32 3jx3 s GLN 535 N 0.59 4.17 0.20 0.44 2.00 -1.26 -0.01 119.66 125.80 3jx3 s GLN 535 Ca -0.03 0.48 -0.32 0.00 -2.00 0.00 0.00 55.36 53.49 3jx3 s GLN 535 Cb -0.05 -3.59 -0.14 0.00 0.80 0.00 0.00 33.01 30.03 3jx3 s GLN 535 CO -0.04 -0.23 1.43 -0.89 -0.50 0.00 0.00 175.29 175.06 3jx3 n ILE 536 N 4.75 0.64 -1.68 -2.34 5.41 -1.26 -4.88 119.36 120.00 3jx3 n ILE 536 Ca -0.03 -0.16 -0.52 0.00 1.00 0.00 0.00 62.75 63.04 3jx3 n ILE 536 Cb 0.50 -1.40 -0.06 0.00 -0.71 0.00 0.00 39.64 37.97 3jx3 n ILE 536 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3jx3 n PRO 537 N 2.40 1.64 -0.12 0.38 -0.02 -1.26 -4.83 135.00 133.20 3jx3 n PRO 537 Ca 0.14 0.60 0.22 0.00 -2.02 0.00 0.00 63.50 62.43 3jx3 n PRO 537 Cb 0.29 -2.34 0.63 0.00 -0.02 0.00 0.00 33.50 32.06 3jx3 n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jx3 h PRO 538 N 7.31 0.14 0.00 0.52 0.11 -1.95 0.32 132.00 138.45 3jx3 h PRO 538 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jx3 h PRO 538 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3jx3 h PRO 538 CO 0.92 0.10 0.00 -0.85 -0.21 0.00 0.00 178.00 177.95 3jx3 n GLU 539 N -4.39 0.04 0.08 1.05 0.00 -1.26 -1.99 120.64 114.17 3jx3 n GLU 539 Ca 0.15 0.14 0.12 0.00 0.00 0.00 0.00 57.16 57.56 3jx3 n GLU 539 Cb 0.71 -1.50 0.12 0.00 0.00 0.00 0.00 31.44 30.77 3jx3 n GLU 539 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3jx3 h LEU 540 N 0.00 0.00 -8.06 -1.84 3.38 -0.71 -3.43 115.31 104.64 3jx3 h LEU 540 Ca 0.00 -0.15 -0.70 0.00 0.09 0.00 0.00 57.88 57.12 3jx3 h LEU 540 Cb 0.34 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.90 3jx3 h LEU 540 CO 0.00 0.08 0.46 -0.69 0.09 0.00 0.00 178.44 178.38 3jx3 s VAL 541 N -3.22 4.80 -0.19 1.22 1.01 -0.84 -4.79 120.40 118.39 3jx3 s VAL 541 Ca 0.04 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 3jx3 s VAL 541 Cb 0.12 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 3jx3 s VAL 541 CO 0.74 -1.32 1.50 -0.22 0.00 0.00 0.00 175.10 175.80 3jx3 s LEU 542 N 2.60 4.04 0.16 3.92 2.96 -1.26 -5.01 118.68 126.09 3jx3 s LEU 542 Ca 0.22 1.70 0.11 0.00 -0.22 0.00 0.00 54.13 55.94 3jx3 s LEU 542 Cb -0.14 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 3jx3 s LEU 542 CO -0.01 -1.05 -0.23 -1.61 -1.32 0.00 0.00 176.35 172.13 3jx3 s GLU 543 N 4.21 1.56 -0.22 1.98 2.02 -1.26 -0.53 118.70 126.45 3jx3 s GLU 543 Ca 0.66 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 54.24 3jx3 s GLU 543 Cb -0.25 -1.92 0.03 0.00 0.10 0.00 0.00 34.13 32.09 3jx3 s GLU 543 CO 0.25 0.43 -0.12 0.08 0.02 0.00 0.00 175.26 175.92 3jx3 s VAL 544 N -1.41 2.48 0.31 2.63 1.01 1.00 -4.90 120.40 121.52 3jx3 s VAL 544 Ca 0.19 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 3jx3 s VAL 544 Cb -0.09 -2.21 -0.10 0.00 0.00 0.00 0.00 36.38 33.97 3jx3 s VAL 544 CO 0.09 0.30 1.42 -2.16 0.00 0.00 0.00 175.10 174.74 3jx3 s PRO 545 N 1.28 4.25 -0.40 2.72 0.04 -1.26 -1.94 135.00 139.69 3jx3 s PRO 545 Ca 0.01 2.36 -0.15 0.00 0.04 0.00 0.00 61.00 63.26 3jx3 s PRO 545 Cb -0.16 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.35 3jx3 s PRO 545 CO -0.08 -0.38 0.30 0.42 0.04 0.00 0.00 177.00 177.30 3jx3 s ILE 546 N -0.69 5.25 0.29 0.56 -1.09 0.48 -4.83 121.20 121.17 3jx3 s ILE 546 Ca 0.54 -0.59 0.11 0.00 -2.23 0.00 0.00 60.65 58.48 3jx3 s ILE 546 Cb -0.43 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.49 3jx3 s ILE 546 CO 0.52 -0.28 -0.10 0.00 -1.23 0.00 0.00 174.94 173.85 3jx3 s ARG 547 N 1.71 1.92 -0.07 2.79 3.03 -1.26 -3.99 118.95 123.08 3jx3 s ARG 547 Ca 0.06 -1.69 -0.00 0.00 2.03 0.00 0.00 55.73 56.12 3jx3 s ARG 547 Cb -0.19 -1.89 -0.03 0.00 -1.03 0.00 0.00 34.95 31.81 3jx3 s ARG 547 CO 0.10 0.29 -0.02 -1.58 -1.13 0.00 0.00 175.30 172.96 3jx3 s HIS 548 N -2.47 3.07 -0.50 5.89 2.46 -1.26 -4.34 115.29 118.13 3jx3 s HIS 548 Ca 0.31 0.12 0.24 0.00 0.47 0.00 0.00 55.06 56.20 3jx3 s HIS 548 Cb -0.04 -1.74 0.97 0.00 -0.13 0.00 0.00 32.58 31.64 3jx3 s HIS 548 CO 0.17 0.42 1.71 -0.35 -2.47 0.00 0.00 174.74 174.23 3jx3 n PRO 549 N 2.07 0.20 -0.02 2.88 -0.04 -1.26 -3.55 135.00 135.28 3jx3 n PRO 549 Ca -0.18 0.41 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 3jx3 n PRO 549 Cb 0.53 -1.87 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 3jx3 n PRO 549 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3jx3 n LYS 550 N -2.24 3.15 -3.47 0.54 5.02 -1.26 -4.97 118.16 114.93 3jx3 n LYS 550 Ca 0.02 -0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.88 3jx3 n LYS 550 Cb 0.24 -1.11 -0.10 0.00 -0.02 0.00 0.00 35.03 34.04 3jx3 n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jx3 s PHE 551 N -2.11 3.25 0.23 2.13 2.99 -1.23 -4.95 117.98 118.29 3jx3 s PHE 551 Ca -0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 56.93 56.08 3jx3 s PHE 551 Cb 0.01 -2.73 0.30 0.00 0.00 0.00 0.00 43.02 40.60 3jx3 s PHE 551 CO 0.18 -0.66 1.85 -0.44 -0.00 0.00 0.00 175.22 176.14 3jx3 h ASP 552 N 8.63 0.78 0.40 1.36 3.32 -1.94 -2.92 116.42 126.05 3jx3 h ASP 552 Ca -0.27 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 3jx3 h ASP 552 Cb 1.11 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3jx3 h ASP 552 CO 0.76 0.51 -0.05 4.11 -1.72 0.00 0.00 179.24 182.84 3jx3 h TRP 553 N 0.92 0.00 -0.66 4.55 5.08 -1.96 -3.28 115.95 120.60 3jx3 h TRP 553 Ca 0.35 0.00 0.13 0.00 1.08 0.00 0.00 58.89 60.45 3jx3 h TRP 553 Cb 0.14 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.21 3jx3 h TRP 553 CO -0.04 0.05 0.16 0.35 -1.28 0.00 0.00 178.44 177.68 3jx3 h PHE 554 N 0.00 0.25 -0.54 0.12 3.57 -1.88 -1.25 116.94 117.21 3jx3 h PHE 554 Ca -0.00 0.04 0.14 0.00 3.53 0.00 0.00 57.97 61.68 3jx3 h PHE 554 Cb 0.26 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3jx3 h PHE 554 CO 0.00 -0.04 0.38 1.57 -2.23 0.00 0.00 178.31 178.00 3jx3 h LYS 555 N 0.28 0.08 0.00 1.11 2.10 -1.69 -0.70 116.57 117.76 3jx3 h LYS 555 Ca 0.36 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 3jx3 h LYS 555 Cb 0.56 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 3jx3 h LYS 555 CO -0.44 0.06 0.00 -0.25 -2.00 0.00 0.00 179.45 176.82 3jx3 n ASP 556 N -4.40 0.00 0.19 7.07 8.00 -0.47 -2.27 116.55 124.67 3jx3 n ASP 556 Ca 0.10 -0.02 0.14 0.00 0.71 0.00 0.00 54.79 55.72 3jx3 n ASP 556 Cb 0.56 -0.31 0.65 0.00 -0.02 0.00 0.00 41.12 42.00 3jx3 n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3jx3 h LEU 557 N 0.00 0.00 0.41 0.64 3.38 -1.21 -3.47 115.31 115.06 3jx3 h LEU 557 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3jx3 h LEU 557 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3jx3 h LEU 557 CO 0.00 0.00 -0.09 0.61 0.09 0.00 0.00 178.44 179.05 3jx3 n GLY 558 N -0.59 0.39 3.81 0.83 0.00 -0.96 -5.02 105.19 103.65 3jx3 n GLY 558 Ca -0.00 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 3jx3 n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx3 s LEU 559 N -1.03 4.50 0.07 0.99 1.43 -1.26 -5.01 118.68 118.36 3jx3 s LEU 559 Ca 0.00 1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 54.23 3jx3 s LEU 559 Cb 0.00 -2.83 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 3jx3 s LEU 559 CO 0.00 0.26 0.10 -1.59 0.23 0.00 0.00 176.35 175.34 3jx3 s LYS 560 N -0.96 0.72 0.12 1.70 -2.85 -1.26 -0.39 119.74 116.82 3jx3 s LYS 560 Ca 0.28 -1.02 -0.03 0.00 -1.00 0.00 0.00 55.97 54.20 3jx3 s LYS 560 Cb -0.19 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 35.83 3jx3 s LYS 560 CO 0.17 -0.19 0.09 -0.46 0.10 0.00 0.00 175.35 175.06 3jx3 s TRP 561 N -3.70 0.67 0.26 1.78 -0.11 -0.82 -4.95 118.94 112.08 3jx3 s TRP 561 Ca 0.04 -1.08 -0.07 0.00 1.22 0.00 0.00 56.10 56.21 3jx3 s TRP 561 Cb 0.05 -0.36 -0.06 0.00 -1.50 0.00 0.00 33.47 31.60 3jx3 s TRP 561 CO -0.10 -0.53 0.55 1.52 -4.62 0.00 0.00 176.95 173.78 3jx3 s TYR 562 N -4.00 3.46 -0.27 5.86 -0.85 -1.26 -0.00 117.35 120.29 3jx3 s TYR 562 Ca 0.18 0.75 0.24 0.00 -0.52 0.00 0.00 57.07 57.72 3jx3 s TYR 562 Cb 0.07 -2.17 0.55 0.00 0.38 0.00 0.00 41.96 40.79 3jx3 s TYR 562 CO -0.02 0.21 1.68 0.78 -1.52 0.00 0.00 175.55 176.69 3jx3 h GLY 563 N 2.06 0.00 -7.59 5.49 0.00 -1.16 -3.45 103.07 98.43 3jx3 h GLY 563 Ca -0.47 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.16 3jx3 h GLY 563 CO 0.68 0.00 -0.57 -2.27 0.00 0.00 0.00 176.54 174.38 3jx3 s LEU 564 N -6.26 4.68 -0.21 3.11 2.96 -1.26 -4.54 118.68 117.15 3jx3 s LEU 564 Ca 0.05 -1.45 -0.25 0.00 -0.22 0.00 0.00 54.13 52.26 3jx3 s LEU 564 Cb 0.06 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 3jx3 s LEU 564 CO 0.65 -0.42 0.82 -2.16 -1.32 0.00 0.00 176.35 173.92 3jx3 s PRO 565 N 1.33 4.23 -0.31 0.98 0.04 -1.26 -4.71 135.00 135.30 3jx3 s PRO 565 Ca 0.01 0.95 -0.03 0.00 0.04 0.00 0.00 61.00 61.98 3jx3 s PRO 565 Cb -0.21 -3.61 0.11 0.00 0.04 0.00 0.00 34.50 30.83 3jx3 s PRO 565 CO 0.00 -0.42 0.16 0.00 0.04 0.00 0.00 177.00 176.78 3jx3 s ALA 566 N 2.50 0.67 -0.06 8.56 0.00 -1.26 -3.16 121.76 129.00 3jx3 s ALA 566 Ca 0.36 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 3jx3 s ALA 566 Cb -0.16 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 3jx3 s ALA 566 CO 0.10 -1.79 1.02 0.08 0.00 0.00 0.00 175.76 175.16 3jx3 s VAL 567 N 1.81 4.76 0.00 0.00 1.01 0.11 -0.49 120.40 127.59 3jx3 s VAL 567 Ca 0.12 2.00 0.00 0.00 0.00 0.00 0.00 61.98 64.10 3jx3 s VAL 567 Cb -0.18 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.91 3jx3 s VAL 567 CO -0.26 0.06 0.50 -1.54 0.00 0.00 0.00 175.10 173.87 3jx3 n SER 568 N 4.62 0.88 -1.08 3.32 3.41 -0.27 -1.56 113.62 122.94 3jx3 n SER 568 Ca 0.08 -1.24 0.10 0.00 -0.26 0.00 0.00 58.87 57.55 3jx3 n SER 568 Cb 0.49 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.70 3jx3 n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jx3 n ASN 569 N -0.12 3.54 -4.98 4.04 6.94 -1.21 -4.41 115.26 119.06 3jx3 n ASN 569 Ca 0.00 -1.99 -0.20 0.00 -0.02 0.00 0.00 54.58 52.37 3jx3 n ASN 569 Cb 0.18 -0.38 0.02 0.00 -2.36 0.00 0.00 39.78 37.24 3jx3 n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3jx3 s MET 570 N -1.04 2.85 -0.19 -3.83 -1.94 -1.26 -4.06 119.30 109.83 3jx3 s MET 570 Ca 0.39 -0.89 -0.01 0.00 -1.71 0.00 0.00 55.69 53.48 3jx3 s MET 570 Cb 0.21 -2.64 0.01 0.00 2.01 0.00 0.00 34.83 34.41 3jx3 s MET 570 CO 0.27 -0.34 -0.14 -1.17 -0.01 0.00 0.00 175.02 173.63 3jx3 s LEU 571 N -4.49 2.46 -0.21 -0.03 0.20 0.12 -4.45 118.68 112.29 3jx3 s LEU 571 Ca 0.52 -0.53 -0.23 0.00 0.69 0.00 0.00 54.13 54.59 3jx3 s LEU 571 Cb -0.10 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 44.06 3jx3 s LEU 571 CO 0.35 0.01 0.73 -0.22 -0.29 0.00 0.00 176.35 176.93 3jx3 s LEU 572 N 1.26 4.13 -0.25 -0.68 2.96 -0.58 -0.44 118.68 125.08 3jx3 s LEU 572 Ca 0.03 0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 54.84 3jx3 s LEU 572 Cb -0.14 -3.05 -0.01 0.00 0.50 0.00 0.00 46.19 43.50 3jx3 s LEU 572 CO -0.07 -0.37 0.02 -0.70 -1.32 0.00 0.00 176.35 173.90 3jx3 s GLU 573 N 2.26 3.40 -0.06 1.98 2.12 -0.25 -0.56 118.70 127.58 3jx3 s GLU 573 Ca 0.32 -0.63 0.03 0.00 0.36 0.00 0.00 54.97 55.05 3jx3 s GLU 573 Cb -0.16 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.05 3jx3 s GLU 573 CO 0.10 -0.25 -0.16 0.42 -0.54 0.00 0.00 175.26 174.83 3jx3 s ILE 574 N 1.52 1.37 -1.41 -3.70 1.01 -0.28 -2.15 121.20 117.56 3jx3 s ILE 574 Ca 0.05 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 3jx3 s ILE 574 Cb -0.15 -1.21 0.12 0.00 0.01 0.00 0.00 42.46 41.23 3jx3 s ILE 574 CO 0.00 0.40 0.59 0.61 0.00 0.00 0.00 174.94 176.54 3jx3 n GLY 575 N 3.50 -0.47 3.09 6.18 0.00 -1.26 0.52 105.19 116.75 3jx3 n GLY 575 Ca -0.20 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3jx3 n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx3 n GLY 576 N -1.21 1.68 3.86 -0.02 0.00 -1.26 -3.32 105.19 104.92 3jx3 n GLY 576 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3jx3 n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jx3 s LEU 577 N 0.00 4.26 -0.18 0.99 1.43 0.18 -5.00 118.68 120.36 3jx3 s LEU 577 Ca 0.00 1.00 0.01 0.00 -1.03 0.00 0.00 54.13 54.11 3jx3 s LEU 577 Cb 0.00 -3.44 0.02 0.00 0.03 0.00 0.00 46.19 42.80 3jx3 s LEU 577 CO 0.00 0.03 -0.18 -1.61 0.23 0.00 0.00 176.35 174.82 3jx3 s GLU 578 N -2.34 2.79 -0.50 1.70 2.02 -1.26 -1.12 118.70 119.99 3jx3 s GLU 578 Ca 0.42 -0.83 -0.09 0.00 0.02 0.00 0.00 54.97 54.49 3jx3 s GLU 578 Cb -0.13 -2.52 0.13 0.00 0.10 0.00 0.00 34.13 31.70 3jx3 s GLU 578 CO 0.20 -0.25 0.37 -0.06 0.02 0.00 0.00 175.26 175.54 3jx3 s PHE 579 N 1.31 3.44 -0.96 1.61 0.40 0.27 -0.02 117.98 124.03 3jx3 s PHE 579 Ca 0.04 -1.94 0.28 0.00 -0.60 0.00 0.00 56.93 54.71 3jx3 s PHE 579 Cb -0.14 -3.50 1.06 0.00 0.51 0.00 0.00 43.02 40.96 3jx3 s PHE 579 CO -0.12 -0.99 1.82 -1.13 0.70 0.00 0.00 175.22 175.51 3jx3 n SER 580 N 4.78 0.18 -3.78 1.36 3.41 -1.26 -1.53 113.62 116.77 3jx3 n SER 580 Ca -0.06 0.39 -0.28 0.00 -0.26 0.00 0.00 58.87 58.65 3jx3 n SER 580 Cb 0.41 -0.40 -0.16 0.00 -0.26 0.00 0.00 64.21 63.80 3jx3 n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jx3 s ALA 581 N -3.01 1.28 -0.41 7.33 0.00 -1.17 -4.63 121.76 121.14 3jx3 s ALA 581 Ca 0.13 -0.93 0.10 0.00 0.00 0.00 0.00 51.96 51.25 3jx3 s ALA 581 Cb 0.18 -1.28 0.37 0.00 0.00 0.00 0.00 23.12 22.39 3jx3 s ALA 581 CO 0.57 -1.22 1.11 0.00 0.00 0.00 0.00 175.76 176.22 3jx3 n PRO 583 N -0.02 1.79 -4.25 0.00 -0.04 -1.14 -4.59 135.00 126.74 3jx3 n PRO 583 Ca 0.07 0.64 -0.14 0.00 -0.04 0.00 0.00 63.50 64.03 3jx3 n PRO 583 Cb 0.76 -2.34 -0.10 0.00 -0.04 0.00 0.00 33.50 31.78 3jx3 n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jx3 s PHE 584 N 0.54 1.26 -0.03 0.54 -0.12 -0.60 -0.78 117.98 118.79 3jx3 s PHE 584 Ca 0.78 -0.77 -0.16 0.00 -0.05 0.00 0.00 56.93 56.73 3jx3 s PHE 584 Cb -0.76 -0.65 0.03 0.00 -0.63 0.00 0.00 43.02 41.01 3jx3 s PHE 584 CO 0.43 0.07 0.35 -1.54 -0.05 0.00 0.00 175.22 174.48 3jx3 s SER 585 N -3.17 -0.25 0.00 1.98 1.04 -0.28 0.08 113.70 113.10 3jx3 s SER 585 Ca 0.17 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.80 3jx3 s SER 585 Cb 0.03 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3jx3 s SER 585 CO 0.01 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.40 3jx3 n GLY 586 N 1.39 2.70 3.56 7.32 0.00 -1.19 -1.97 105.19 117.00 3jx3 n GLY 586 Ca -0.21 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3jx3 n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jx3 s TRP 587 N 2.06 -0.08 0.32 1.61 -2.14 -1.26 -4.55 118.94 114.91 3jx3 s TRP 587 Ca 0.00 -0.28 -0.25 0.00 2.66 0.00 0.00 56.10 58.23 3jx3 s TRP 587 Cb 0.00 0.40 -0.10 0.00 -3.10 0.00 0.00 33.47 30.68 3jx3 s TRP 587 CO 0.00 -0.96 0.92 0.71 -2.66 0.00 0.00 176.95 174.96 3jx3 s TYR 588 N -3.89 3.64 0.05 1.66 1.51 -1.26 -4.91 117.35 114.15 3jx3 s TYR 588 Ca 0.11 1.72 -0.19 0.00 -1.01 0.00 0.00 57.07 57.70 3jx3 s TYR 588 Cb -0.01 -2.88 -0.06 0.00 -0.11 0.00 0.00 41.96 38.89 3jx3 s TYR 588 CO -0.01 0.19 0.55 1.41 -1.11 0.00 0.00 175.55 176.58 3jx3 s MET 589 N -2.17 4.18 0.32 -0.62 -2.45 -1.26 -1.04 119.30 116.25 3jx3 s MET 589 Ca 0.51 0.68 0.01 0.00 -1.25 0.00 0.00 55.69 55.64 3jx3 s MET 589 Cb -0.17 -3.25 0.56 0.00 1.25 0.00 0.00 34.83 33.21 3jx3 s MET 589 CO 0.22 0.60 1.94 0.78 1.05 0.00 0.00 175.02 179.61 3jx3 h GLY 590 N 4.76 1.19 1.37 2.11 0.00 -0.66 -1.94 103.07 109.90 3jx3 h GLY 590 Ca -0.49 -0.39 0.08 0.00 0.00 0.00 0.00 47.33 46.53 3jx3 h GLY 590 CO 0.64 0.31 0.24 -0.91 0.00 0.00 0.00 176.54 176.82 3jx3 h THR 591 N 0.98 0.87 -0.60 4.70 1.35 -1.94 -0.45 112.91 117.82 3jx3 h THR 591 Ca 0.35 -0.03 0.07 0.00 -0.55 0.00 0.00 66.41 66.25 3jx3 h THR 591 Cb 0.13 0.78 -0.06 0.00 -1.73 0.00 0.00 68.15 67.27 3jx3 h THR 591 CO -0.11 0.01 0.29 -0.33 -0.25 0.00 0.00 175.52 175.13 3jx3 h GLU 592 N 0.08 0.51 0.05 4.72 5.08 -1.76 0.99 114.58 124.26 3jx3 h GLU 592 Ca 0.16 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3jx3 h GLU 592 Cb 0.53 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3jx3 h GLU 592 CO -0.01 0.34 -0.02 0.82 -1.00 0.00 0.00 179.01 179.13 3jx3 h ILE 593 N 0.53 0.35 -0.17 3.13 2.04 -1.54 -1.90 117.51 119.94 3jx3 h ILE 593 Ca 0.28 -1.19 -0.13 0.00 1.00 0.00 0.00 64.86 64.82 3jx3 h ILE 593 Cb 0.25 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3jx3 h ILE 593 CO -0.22 0.11 -0.46 1.23 0.00 0.00 0.00 178.15 178.81 3jx3 h GLY 594 N -1.01 0.47 0.00 5.37 0.00 -1.09 -1.48 103.07 105.33 3jx3 h GLY 594 Ca -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 3jx3 h GLY 594 CO 0.01 0.44 -0.51 -2.08 0.00 0.00 0.00 176.54 174.40 3jx3 h VAL 595 N 0.35 0.18 0.07 4.60 2.07 -1.02 -3.36 116.25 119.13 3jx3 h VAL 595 Ca 0.02 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3jx3 h VAL 595 Cb 0.94 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3jx3 h VAL 595 CO 0.08 0.06 -0.03 0.03 0.02 0.00 0.00 177.57 177.73 3jx3 h ARG 596 N -1.00 -0.08 -0.56 1.57 2.47 -1.48 -2.50 114.38 112.79 3jx3 h ARG 596 Ca -0.05 0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.60 3jx3 h ARG 596 Cb 0.55 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.87 3jx3 h ARG 596 CO -0.03 0.22 0.03 -0.91 0.56 0.00 0.00 179.97 179.84 3jx3 h ASN 597 N -1.00 0.91 0.47 7.04 2.35 -1.15 -2.15 115.58 122.06 3jx3 h ASN 597 Ca -0.01 -0.23 -0.27 0.00 -0.55 0.00 0.00 56.30 55.24 3jx3 h ASN 597 Cb 0.34 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 3jx3 h ASN 597 CO 0.01 0.95 -1.73 -1.22 -1.65 0.00 0.00 177.43 173.80 3jx3 n TYR 598 N -4.20 0.86 0.02 1.19 0.53 -0.58 -1.75 117.16 113.23 3jx3 n TYR 598 Ca 0.03 0.31 0.02 0.00 -1.02 0.00 0.00 57.90 57.23 3jx3 n TYR 598 Cb 0.31 -1.13 -0.02 0.00 -1.03 0.00 0.00 39.34 37.47 3jx3 n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3jx3 n ASP 600 N -1.54 1.64 -0.27 0.00 9.92 -0.81 -4.59 116.55 120.90 3jx3 n ASP 600 Ca -0.00 1.15 0.06 0.00 -0.53 0.00 0.00 54.79 55.46 3jx3 n ASP 600 Cb 0.08 -1.27 0.20 0.00 -0.64 0.00 0.00 41.12 39.48 3jx3 n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 3jx3 h ASN 601 N 3.35 0.36 -0.23 -2.24 -0.73 -1.93 -1.71 115.58 112.45 3jx3 h ASN 601 Ca -0.43 0.10 0.00 0.00 1.87 0.00 0.00 56.30 57.84 3jx3 h ASN 601 Cb 1.33 0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.98 3jx3 h ASN 601 CO 0.70 0.14 0.00 -1.54 -0.37 0.00 0.00 177.43 176.36 3jx3 n SER 602 N -4.96 1.30 0.00 1.15 3.41 -1.26 -4.67 113.62 108.59 3jx3 n SER 602 Ca 0.15 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 3jx3 n SER 602 Cb 0.42 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 3jx3 n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jx3 n ARG 603 N 0.19 2.33 0.23 4.33 5.12 -0.66 -4.18 116.66 124.02 3jx3 n ARG 603 Ca 0.09 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.12 3jx3 n ARG 603 Cb 0.21 0.00 0.48 0.00 -1.16 0.00 0.00 32.46 32.00 3jx3 n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jx3 h TYR 604 N 0.00 0.00 -6.19 -1.55 -1.99 -1.49 -3.41 116.97 102.34 3jx3 h TYR 604 Ca 0.00 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.30 3jx3 h TYR 604 Cb 0.00 0.00 0.05 0.00 2.00 0.00 0.00 36.73 38.78 3jx3 h TYR 604 CO 0.00 0.18 -0.89 -1.71 -0.00 0.00 0.00 178.16 175.74 3jx3 n ASN 605 N -3.32 -2.93 -0.97 3.88 4.05 -0.13 -4.88 115.26 110.95 3jx3 n ASN 605 Ca 0.00 -0.93 0.12 0.00 0.45 0.00 0.00 54.58 54.22 3jx3 n ASN 605 Cb 0.42 -3.64 0.19 0.00 1.23 0.00 0.00 39.78 37.98 3jx3 n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jx3 n ILE 606 N -4.19 0.19 -0.04 -1.44 -5.35 0.20 -4.46 119.36 104.27 3jx3 n ILE 606 Ca -0.21 -0.56 -0.08 0.00 -0.27 0.00 0.00 62.75 61.63 3jx3 n ILE 606 Cb 0.64 1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 39.69 3jx3 n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jx3 h LEU 607 N 4.30 -0.42 -0.44 7.28 3.38 -1.87 -1.06 115.31 126.48 3jx3 h LEU 607 Ca 0.00 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.15 3jx3 h LEU 607 Cb 0.93 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 3jx3 h LEU 607 CO 0.00 -0.17 -0.16 -0.33 0.09 0.00 0.00 178.44 177.88 3jx3 h GLU 608 N -0.12 -0.06 -0.58 1.13 5.08 -1.98 -0.80 114.58 117.25 3jx3 h GLU 608 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3jx3 h GLU 608 Cb 0.30 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3jx3 h GLU 608 CO -0.28 -0.04 0.29 0.93 -1.00 0.00 0.00 179.01 178.91 3jx3 h GLU 609 N -0.06 0.82 -0.15 2.33 5.08 -1.70 -2.66 114.58 118.23 3jx3 h GLU 609 Ca 0.21 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3jx3 h GLU 609 Cb 0.39 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3jx3 h GLU 609 CO -0.48 0.65 0.02 0.28 -1.00 0.00 0.00 179.01 178.48 3jx3 h VAL 610 N 0.78 1.23 -0.69 3.13 2.07 -0.72 -1.88 116.25 120.17 3jx3 h VAL 610 Ca 0.20 -0.76 0.10 0.00 0.82 0.00 0.00 66.70 67.07 3jx3 h VAL 610 Cb 0.09 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3jx3 h VAL 610 CO -0.03 0.22 0.46 0.00 0.02 0.00 0.00 177.57 178.25 3jx3 h ALA 611 N 0.79 1.92 -0.45 1.67 0.00 -1.14 -1.05 119.26 121.00 3jx3 h ALA 611 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3jx3 h ALA 611 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3jx3 h ALA 611 CO 0.00 -0.07 0.06 0.87 0.00 0.00 0.00 179.25 180.11 3jx3 h LYS 612 N 0.54 0.76 0.00 0.00 1.57 -1.14 -2.19 116.57 116.11 3jx3 h LYS 612 Ca 0.32 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3jx3 h LYS 612 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3jx3 h LYS 612 CO -0.11 0.79 -0.24 0.87 -0.57 0.00 0.00 179.45 180.19 3jx3 h LYS 613 N 0.62 0.00 -0.00 3.15 1.79 -0.41 -2.23 116.57 119.48 3jx3 h LYS 613 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3jx3 h LYS 613 Cb 0.41 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3jx3 h LYS 613 CO 0.01 0.24 -0.14 -1.33 -1.08 0.00 0.00 179.45 177.16 3jx3 n MET 614 N -3.80 0.31 -3.10 3.15 2.81 -0.61 -4.96 117.12 110.92 3jx3 n MET 614 Ca -0.02 -0.09 -0.23 0.00 -1.81 0.00 0.00 57.70 55.56 3jx3 n MET 614 Cb 0.34 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.39 3jx3 n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jx3 n ASP 615 N -1.27 -6.22 -4.86 7.83 2.03 -0.84 -4.99 116.55 108.24 3jx3 n ASP 615 Ca 0.10 -0.32 -0.31 0.00 0.52 0.00 0.00 54.79 54.79 3jx3 n ASP 615 Cb 0.30 -5.00 0.04 0.00 -0.72 0.00 0.00 41.12 35.74 3jx3 n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jx3 s LEU 616 N -6.79 3.02 -0.58 -2.67 1.43 -1.06 -4.98 118.68 107.04 3jx3 s LEU 616 Ca 0.34 1.35 -0.26 0.00 -1.03 0.00 0.00 54.13 54.53 3jx3 s LEU 616 Cb -0.15 -4.23 0.04 0.00 0.03 0.00 0.00 46.19 41.88 3jx3 s LEU 616 CO 0.42 -1.27 1.08 -0.62 0.23 0.00 0.00 176.35 176.19 3jx3 s ASP 617 N -4.13 6.36 -0.16 2.29 3.68 -1.26 -4.84 116.67 118.61 3jx3 s ASP 617 Ca 0.57 -0.19 0.13 0.00 2.13 0.00 0.00 52.55 55.20 3jx3 s ASP 617 Cb -0.12 -2.50 0.67 0.00 -1.45 0.00 0.00 42.92 39.53 3jx3 s ASP 617 CO 0.53 -1.40 1.55 0.23 0.13 0.00 0.00 175.17 176.21 3jx3 n MET 618 N 8.06 3.95 0.03 4.34 2.81 -1.26 -4.31 117.12 130.75 3jx3 n MET 618 Ca 0.05 -2.61 -0.13 0.00 -1.81 0.00 0.00 57.70 53.20 3jx3 n MET 618 Cb 0.48 -2.02 -0.01 0.00 -0.71 0.00 0.00 33.22 30.96 3jx3 n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jx3 h ARG 619 N 3.47 0.52 -4.62 0.03 3.08 -2.04 -3.45 114.38 111.37 3jx3 h ARG 619 Ca 0.00 -0.45 -0.44 0.00 0.07 0.00 0.00 59.98 59.16 3jx3 h ARG 619 Cb 1.58 0.10 -0.31 0.00 0.08 0.00 0.00 29.97 31.42 3jx3 h ARG 619 CO 0.34 1.08 -0.79 0.15 -1.07 0.00 0.00 179.97 179.68 3jx3 s LYS 620 N -3.58 1.03 0.52 0.04 1.02 -1.26 -5.01 119.74 112.50 3jx3 s LYS 620 Ca -0.07 -0.32 0.20 0.00 0.02 0.00 0.00 55.97 55.80 3jx3 s LYS 620 Cb 0.10 -0.95 1.32 0.00 -0.52 0.00 0.00 37.83 37.78 3jx3 s LYS 620 CO 0.86 0.11 2.08 1.79 -0.92 0.00 0.00 175.35 179.28 3jx3 h THR 621 N 5.41 0.88 0.00 2.17 1.35 -1.91 -2.62 112.91 118.19 3jx3 h THR 621 Ca -0.33 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3jx3 h THR 621 Cb 1.17 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3jx3 h THR 621 CO 0.49 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.22 3jx3 n SER 622 N -4.47 0.00 0.00 5.36 3.41 -1.26 -1.41 113.62 115.25 3jx3 n SER 622 Ca 0.03 -0.11 0.08 0.00 -0.26 0.00 0.00 58.87 58.61 3jx3 n SER 622 Cb 0.32 -0.24 0.37 0.00 -0.26 0.00 0.00 64.21 64.40 3jx3 n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jx3 n SER 623 N -1.24 0.00 -3.27 4.04 3.41 -0.99 -4.92 113.62 110.65 3jx3 n SER 623 Ca 0.11 0.42 -0.23 0.00 -0.26 0.00 0.00 58.87 58.91 3jx3 n SER 623 Cb 0.15 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.65 3jx3 n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jx3 n LEU 624 N -1.46 -2.01 -0.18 1.04 4.77 -0.50 -4.90 117.00 113.75 3jx3 n LEU 624 Ca 0.05 -0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 55.58 3jx3 n LEU 624 Cb 0.19 -2.45 0.01 0.00 -2.33 0.00 0.00 43.42 38.84 3jx3 n LEU 624 CO 0.15 0.20 0.99 4.11 -1.33 0.00 0.00 177.39 181.51 3jx3 h TRP 625 N -1.19 0.74 -0.90 -1.77 5.08 -1.83 -0.23 115.95 115.85 3jx3 h TRP 625 Ca -0.47 -0.04 0.13 0.00 1.08 0.00 0.00 58.89 59.58 3jx3 h TRP 625 Cb 1.32 -0.23 -0.09 0.00 -3.00 0.00 0.00 29.16 27.16 3jx3 h TRP 625 CO 0.61 0.59 0.52 0.87 -1.28 0.00 0.00 178.44 179.76 3jx3 h LYS 626 N 0.68 0.77 -0.18 0.12 1.57 -1.90 -0.45 116.57 117.18 3jx3 h LYS 626 Ca 0.17 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.71 3jx3 h LYS 626 Cb 0.13 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3jx3 h LYS 626 CO -0.02 0.51 -0.66 -0.44 -0.57 0.00 0.00 179.45 178.27 3jx3 h ASP 627 N 0.80 0.80 0.14 0.86 5.19 -1.69 -0.11 116.42 122.41 3jx3 h ASP 627 Ca 0.47 -0.48 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 3jx3 h ASP 627 Cb 0.54 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.82 3jx3 h ASP 627 CO -0.30 1.25 -0.07 1.56 -3.12 0.00 0.00 179.24 178.57 3jx3 h GLN 628 N 0.51 -0.18 -0.86 3.56 4.20 -0.52 -2.40 115.11 119.42 3jx3 h GLN 628 Ca -0.02 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.76 3jx3 h GLN 628 Cb 1.26 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 29.02 3jx3 h GLN 628 CO 0.13 0.08 0.53 0.00 -0.67 0.00 0.00 178.83 178.91 3jx3 h ALA 629 N 0.40 1.18 -0.28 3.87 0.00 -1.11 -2.55 119.26 120.77 3jx3 h ALA 629 Ca -0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3jx3 h ALA 629 Cb 0.34 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3jx3 h ALA 629 CO 0.03 0.28 0.02 1.25 0.00 0.00 0.00 179.25 180.83 3jx3 h LEU 630 N 0.97 -0.07 -0.31 0.00 5.85 -0.80 -0.37 115.31 120.58 3jx3 h LEU 630 Ca 0.37 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.19 3jx3 h LEU 630 Cb 0.17 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3jx3 h LEU 630 CO -0.17 -0.00 0.08 0.58 -0.34 0.00 0.00 178.44 178.59 3jx3 h VAL 631 N 0.11 0.87 -0.44 1.05 2.07 -1.11 -1.81 116.25 116.99 3jx3 h VAL 631 Ca 0.13 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3jx3 h VAL 631 Cb 0.16 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3jx3 h VAL 631 CO -0.21 0.04 0.24 -0.33 0.02 0.00 0.00 177.57 177.33 3jx3 h GLU 632 N 0.20 0.61 -0.62 1.57 4.39 -1.02 0.38 114.58 120.10 3jx3 h GLU 632 Ca 0.14 -0.07 0.11 0.00 0.34 0.00 0.00 59.36 59.88 3jx3 h GLU 632 Cb 0.14 -0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 28.59 3jx3 h GLU 632 CO -0.17 0.49 0.17 0.82 -1.16 0.00 0.00 179.01 179.16 3jx3 h ILE 633 N 0.57 0.67 -0.01 3.13 2.04 -0.86 -0.79 117.51 122.26 3jx3 h ILE 633 Ca 0.15 -0.11 -0.13 0.00 1.00 0.00 0.00 64.86 65.78 3jx3 h ILE 633 Cb 0.06 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3jx3 h ILE 633 CO -0.02 0.06 -0.59 0.78 0.00 0.00 0.00 178.15 178.38 3jx3 h ASN 634 N 0.31 0.04 -0.83 1.72 2.35 -0.42 -2.27 115.58 116.49 3jx3 h ASN 634 Ca 0.32 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 3jx3 h ASN 634 Cb 0.47 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 3jx3 h ASN 634 CO -0.38 0.62 0.49 0.40 -1.65 0.00 0.00 177.43 176.91 3jx3 h ILE 635 N 0.03 1.23 -0.41 2.81 2.04 0.56 -2.73 117.51 121.04 3jx3 h ILE 635 Ca -0.01 -0.52 -0.14 0.00 1.00 0.00 0.00 64.86 65.20 3jx3 h ILE 635 Cb 1.04 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3jx3 h ILE 635 CO 0.08 0.25 -0.29 0.00 0.00 0.00 0.00 178.15 178.19 3jx3 h ALA 636 N 1.26 0.72 0.06 1.87 0.00 -0.79 -1.37 119.26 121.01 3jx3 h ALA 636 Ca 0.30 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3jx3 h ALA 636 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3jx3 h ALA 636 CO -0.05 0.66 -0.07 0.28 0.00 0.00 0.00 179.25 180.07 3jx3 h VAL 637 N 0.75 0.85 -0.46 0.00 2.07 -1.38 -0.25 116.25 117.83 3jx3 h VAL 637 Ca 0.08 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 3jx3 h VAL 637 Cb 0.85 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3jx3 h VAL 637 CO 0.07 0.00 0.14 -0.07 0.02 0.00 0.00 177.57 177.73 3jx3 h LEU 638 N -0.14 0.67 -0.31 2.57 3.38 -1.36 -2.01 115.31 118.12 3jx3 h LEU 638 Ca 0.01 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3jx3 h LEU 638 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3jx3 h LEU 638 CO -0.03 0.71 0.18 0.22 0.09 0.00 0.00 178.44 179.61 3jx3 h TYR 639 N 0.61 0.33 -0.05 1.13 3.20 -1.11 -1.15 116.97 119.92 3jx3 h TYR 639 Ca 0.15 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3jx3 h TYR 639 Cb 0.28 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 3jx3 h TYR 639 CO 0.01 0.19 0.02 0.77 -1.64 0.00 0.00 178.16 177.52 3jx3 h SER 640 N 0.36 0.07 -0.31 -2.11 0.02 -0.87 0.17 113.55 110.88 3jx3 h SER 640 Ca 0.12 -0.15 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3jx3 h SER 640 Cb 0.00 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3jx3 h SER 640 CO -0.06 0.20 0.14 -0.26 -1.14 0.00 0.00 176.83 175.71 3jx3 h PHE 641 N -0.07 0.25 -0.59 3.45 -1.00 -1.30 -2.45 116.94 115.23 3jx3 h PHE 641 Ca 0.02 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 3jx3 h PHE 641 Cb 0.15 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 3jx3 h PHE 641 CO -0.02 0.13 0.32 1.96 -1.61 0.00 0.00 178.31 179.08 3jx3 h GLN 642 N 0.29 0.82 -0.02 1.51 4.20 -1.09 -0.70 115.11 120.12 3jx3 h GLN 642 Ca 0.14 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3jx3 h GLN 642 Cb 0.07 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3jx3 h GLN 642 CO -0.11 0.63 -0.20 0.77 -0.67 0.00 0.00 178.83 179.24 3jx3 h SER 643 N 0.79 0.03 -0.45 1.46 0.02 -0.81 -0.88 113.55 113.70 3jx3 h SER 643 Ca 0.21 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3jx3 h SER 643 Cb 0.05 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3jx3 h SER 643 CO -0.03 0.23 0.00 0.47 -1.14 0.00 0.00 176.83 176.36 3jx3 n ASP 644 N -4.28 2.76 -3.88 3.07 8.00 -0.94 -4.96 116.55 116.31 3jx3 n ASP 644 Ca -0.02 -1.95 -0.25 0.00 0.71 0.00 0.00 54.79 53.28 3jx3 n ASP 644 Cb 0.27 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 3jx3 n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jx3 n LYS 645 N 1.01 -4.04 -4.35 -1.24 4.01 -0.34 -4.99 118.16 108.23 3jx3 n LYS 645 Ca 0.18 0.49 -0.34 0.00 -0.51 0.00 0.00 58.31 58.13 3jx3 n LYS 645 Cb 0.46 -4.88 -0.14 0.00 -0.51 0.00 0.00 35.03 29.96 3jx3 n LYS 645 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3jx3 s VAL 646 N -3.76 3.29 0.16 -0.18 1.01 -0.31 -4.25 120.40 116.36 3jx3 s VAL 646 Ca 0.11 -0.55 -0.34 0.00 0.00 0.00 0.00 61.98 61.20 3jx3 s VAL 646 Cb -0.06 -2.44 -0.14 0.00 0.00 0.00 0.00 36.38 33.74 3jx3 s VAL 646 CO 0.86 0.48 1.52 0.41 0.00 0.00 0.00 175.10 178.37 3jx3 n THR 647 N 4.05 0.10 -3.77 3.92 -1.04 0.19 -4.29 114.28 113.45 3jx3 n THR 647 Ca -0.18 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.69 3jx3 n THR 647 Cb 0.52 -1.42 -0.08 0.00 -1.82 0.00 0.00 70.33 67.53 3jx3 n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jx3 s ILE 648 N 0.74 0.08 -0.03 12.58 2.07 -1.26 -4.43 121.20 130.95 3jx3 s ILE 648 Ca 0.78 -0.68 0.05 0.00 -1.41 0.00 0.00 60.65 59.40 3jx3 s ILE 648 Cb -0.72 -0.89 -0.01 0.00 0.13 0.00 0.00 42.46 40.97 3jx3 s ILE 648 CO 0.40 -0.37 -0.18 0.54 -1.91 0.00 0.00 174.94 173.42 3jx3 s VAL 649 N -2.40 1.46 0.68 4.00 0.11 -0.21 -4.99 120.40 119.06 3jx3 s VAL 649 Ca -0.06 -0.77 -0.11 0.00 -2.93 0.00 0.00 61.98 58.11 3jx3 s VAL 649 Cb -0.01 -1.23 -0.00 0.00 -1.53 0.00 0.00 36.38 33.60 3jx3 s VAL 649 CO -0.02 0.42 1.06 1.51 -3.33 0.00 0.00 175.10 174.74 3jx3 s ASP 650 N -0.26 5.63 0.48 3.54 -4.77 -1.26 0.09 116.67 120.12 3jx3 s ASP 650 Ca 0.03 1.36 0.27 0.00 -3.30 0.00 0.00 52.55 50.91 3jx3 s ASP 650 Cb -0.09 -2.27 1.07 0.00 -1.09 0.00 0.00 42.92 40.55 3jx3 s ASP 650 CO 0.00 -1.25 1.88 1.12 0.70 0.00 0.00 175.17 177.63 3jx3 h HIS 651 N -0.59 0.00 0.07 2.11 2.07 -1.98 -1.28 115.15 115.55 3jx3 h HIS 651 Ca -0.45 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 3jx3 h HIS 651 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3jx3 h HIS 651 CO 0.58 0.16 -0.03 0.45 -3.07 0.00 0.00 177.93 176.02 3jx3 h HIS 652 N 0.00 -0.09 -0.34 6.12 3.86 -1.96 -2.54 115.15 120.20 3jx3 h HIS 652 Ca -0.00 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3jx3 h HIS 652 Cb 0.66 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 3jx3 h HIS 652 CO 0.00 0.35 0.03 1.03 0.86 0.00 0.00 177.93 180.19 3jx3 h SER 653 N -0.55 0.57 -0.59 2.45 0.87 -1.88 -1.75 113.55 112.67 3jx3 h SER 653 Ca -0.01 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 3jx3 h SER 653 Cb 0.47 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3jx3 h SER 653 CO 0.02 0.71 0.33 0.00 -0.53 0.00 0.00 176.83 177.36 3jx3 h ALA 654 N 0.88 0.76 -0.19 6.23 0.00 -1.33 -1.29 119.26 124.32 3jx3 h ALA 654 Ca 0.10 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3jx3 h ALA 654 Cb 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3jx3 h ALA 654 CO 0.01 0.27 -0.60 1.79 0.00 0.00 0.00 179.25 180.72 3jx3 h THR 655 N 0.80 1.31 -0.66 0.00 1.35 -1.37 -1.18 112.91 113.15 3jx3 h THR 655 Ca 0.21 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 3jx3 h THR 655 Cb 0.03 1.80 -0.03 0.00 -1.73 0.00 0.00 68.15 68.22 3jx3 h THR 655 CO -0.03 0.58 0.43 -0.08 -0.25 0.00 0.00 175.52 176.16 3jx3 h GLU 656 N 0.48 0.88 -0.29 4.72 4.81 -1.26 -1.67 114.58 122.25 3jx3 h GLU 656 Ca -0.00 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 3jx3 h GLU 656 Cb 1.17 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 3jx3 h GLU 656 CO 0.12 0.60 -0.17 0.66 -0.73 0.00 0.00 179.01 179.49 3jx3 h SER 657 N 0.90 0.50 -0.32 1.04 4.64 -1.04 -2.52 113.55 116.76 3jx3 h SER 657 Ca 0.24 -0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 3jx3 h SER 657 Cb -0.08 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 3jx3 h SER 657 CO -0.05 0.69 -0.13 0.15 -0.87 0.00 0.00 176.83 176.62 3jx3 h PHE 658 N 0.46 0.83 -0.42 4.77 3.57 -0.90 0.71 116.94 125.97 3jx3 h PHE 658 Ca 0.08 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 3jx3 h PHE 658 Cb 0.56 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3jx3 h PHE 658 CO 0.02 0.84 0.20 0.82 -2.23 0.00 0.00 178.31 177.96 3jx3 h ILE 659 N 0.68 1.18 -0.52 1.41 1.08 -1.01 0.30 117.51 120.62 3jx3 h ILE 659 Ca 0.11 -0.50 0.07 0.00 -0.39 0.00 0.00 64.86 64.15 3jx3 h ILE 659 Cb 0.60 0.74 -0.06 0.00 -3.07 0.00 0.00 36.82 35.03 3jx3 h ILE 659 CO 0.04 0.19 0.18 0.50 -0.69 0.00 0.00 178.15 178.37 3jx3 h LYS 660 N 0.54 0.35 -0.15 2.37 3.64 -1.15 -1.53 116.57 120.63 3jx3 h LYS 660 Ca 0.14 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3jx3 h LYS 660 Cb 0.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3jx3 h LYS 660 CO -0.02 0.23 0.08 1.25 -2.27 0.00 0.00 179.45 178.72 3jx3 h HIS 661 N 0.36 0.22 -0.27 1.91 2.76 -0.42 -1.25 115.15 118.45 3jx3 h HIS 661 Ca 0.25 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.48 3jx3 h HIS 661 Cb 0.28 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.10 3jx3 h HIS 661 CO -0.17 0.25 -0.25 0.52 -1.30 0.00 0.00 177.93 176.98 3jx3 h MET 662 N 0.13 -0.23 -0.82 5.26 2.86 -0.16 0.42 114.93 122.39 3jx3 h MET 662 Ca 0.05 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 3jx3 h MET 662 Cb 0.11 0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.76 3jx3 h MET 662 CO -0.01 -0.15 0.53 0.93 1.06 0.00 0.00 176.91 179.27 3jx3 h GLU 663 N -0.24 0.75 -0.16 1.72 5.08 -1.18 0.35 114.58 120.90 3jx3 h GLU 663 Ca 0.15 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3jx3 h GLU 663 Cb 0.47 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3jx3 h GLU 663 CO -0.41 0.50 0.02 -0.91 -1.00 0.00 0.00 179.01 177.20 3jx3 h ASN 664 N 0.77 0.26 -0.63 1.42 2.35 -0.06 -2.43 115.58 117.26 3jx3 h ASN 664 Ca 0.38 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3jx3 h ASN 664 Cb 0.43 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 3jx3 h ASN 664 CO -0.15 0.46 0.22 -0.33 -1.65 0.00 0.00 177.43 175.99 3jx3 h GLU 665 N 0.04 1.00 0.00 0.81 4.39 -0.23 0.28 114.58 120.87 3jx3 h GLU 665 Ca 0.05 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3jx3 h GLU 665 Cb 0.32 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3jx3 h GLU 665 CO 0.00 0.85 -0.00 1.88 -1.16 0.00 0.00 179.01 180.58 3jx3 h TYR 666 N 0.97 -0.00 -0.25 4.33 -1.99 -0.28 0.29 116.97 120.03 3jx3 h TYR 666 Ca 0.22 -0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.75 3jx3 h TYR 666 Cb 0.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.99 3jx3 h TYR 666 CO 0.02 0.11 -0.61 0.07 -0.00 0.00 0.00 178.16 177.75 3jx3 h ARG 667 N -0.11 0.86 0.00 4.88 0.11 -1.27 -1.79 114.38 117.05 3jx3 h ARG 667 Ca -0.00 -0.59 -0.12 0.00 0.10 0.00 0.00 59.98 59.37 3jx3 h ARG 667 Cb 0.11 0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.26 3jx3 h ARG 667 CO 0.00 1.21 -0.89 0.00 0.10 0.00 0.00 179.97 180.39 3jx3 n ARG 669 N -3.05 2.52 -0.85 0.00 0.63 0.95 -5.02 116.66 111.85 3jx3 n ARG 669 Ca -0.03 -0.06 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 3jx3 n ARG 669 Cb 0.76 -0.37 0.00 0.00 0.45 0.00 0.00 32.46 33.30 3jx3 n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jx3 n GLY 670 N 0.38 0.74 0.00 5.14 0.00 -0.67 -4.58 105.19 106.19 3jx3 n GLY 670 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3jx3 n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jx3 n GLY 671 N -2.46 0.01 2.96 -0.02 0.00 -1.03 -0.11 105.19 104.54 3jx3 n GLY 671 Ca 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 3jx3 n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jx3 s PRO 673 N 2.61 4.25 -0.19 0.00 0.04 -1.26 -4.61 135.00 135.83 3jx3 s PRO 673 Ca 0.14 2.34 -0.15 0.00 0.04 0.00 0.00 61.00 63.36 3jx3 s PRO 673 Cb -0.15 -3.11 0.06 0.00 0.04 0.00 0.00 34.50 31.34 3jx3 s PRO 673 CO -0.20 -0.46 0.49 0.00 0.04 0.00 0.00 177.00 176.87 3jx3 s ALA 674 N 0.13 -1.25 -0.47 8.56 0.00 0.02 -4.31 121.76 124.44 3jx3 s ALA 674 Ca 0.61 1.56 -0.13 0.00 0.00 0.00 0.00 51.96 54.00 3jx3 s ALA 674 Cb -0.43 -0.92 0.09 0.00 0.00 0.00 0.00 23.12 21.87 3jx3 s ALA 674 CO 0.42 -0.26 0.36 0.34 0.00 0.00 0.00 175.76 176.63 3jx3 s ASP 675 N 0.76 5.92 0.21 0.00 3.68 -0.15 -3.48 116.67 123.61 3jx3 s ASP 675 Ca -0.04 -1.56 -0.09 0.00 2.13 0.00 0.00 52.55 52.99 3jx3 s ASP 675 Cb -0.05 -2.10 0.21 0.00 -1.45 0.00 0.00 42.92 39.53 3jx3 s ASP 675 CO -0.06 -0.66 1.85 -0.25 0.13 0.00 0.00 175.17 176.18 3jx3 h TRP 676 N 8.62 0.84 -1.00 -5.34 7.01 -1.92 0.60 115.95 124.76 3jx3 h TRP 676 Ca -0.26 0.02 0.23 0.00 2.11 0.00 0.00 58.89 60.99 3jx3 h TRP 676 Cb 1.09 -0.28 -0.10 0.00 -2.10 0.00 0.00 29.16 27.78 3jx3 h TRP 676 CO 0.65 0.47 0.63 0.28 -2.79 0.00 0.00 178.44 177.68 3jx3 h VAL 677 N 0.87 0.61 0.03 2.65 2.07 -1.93 -1.55 116.25 119.01 3jx3 h VAL 677 Ca 0.29 -0.18 -0.33 0.00 0.82 0.00 0.00 66.70 67.30 3jx3 h VAL 677 Cb 0.04 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 29.80 3jx3 h VAL 677 CO -0.12 0.10 -1.99 0.79 0.02 0.00 0.00 177.57 176.37 3jx3 n TRP 678 N -4.67 0.78 -0.10 1.57 7.02 -0.77 -4.46 117.44 116.82 3jx3 n TRP 678 Ca 0.24 0.24 -0.11 0.00 -1.02 0.00 0.00 57.50 56.84 3jx3 n TRP 678 Cb 0.73 -1.13 0.02 0.00 -2.42 0.00 0.00 31.31 28.52 3jx3 n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jx3 h ILE 679 N 0.02 1.28 -2.86 -0.99 1.08 -0.54 -3.43 117.51 112.07 3jx3 h ILE 679 Ca -0.40 -1.50 -0.54 0.00 -0.39 0.00 0.00 64.86 62.03 3jx3 h ILE 679 Cb 2.05 1.34 -0.00 0.00 -3.07 0.00 0.00 36.82 37.14 3jx3 h ILE 679 CO 0.06 0.50 0.88 -0.69 -0.69 0.00 0.00 178.15 178.20 3jx3 s VAL 680 N -4.44 3.68 0.75 1.67 1.01 -0.62 -4.93 120.40 117.52 3jx3 s VAL 680 Ca -0.10 1.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.77 3jx3 s VAL 680 Cb 0.12 -3.67 0.05 0.00 0.00 0.00 0.00 36.38 32.88 3jx3 s VAL 680 CO 0.86 -0.02 1.23 -2.84 0.00 0.00 0.00 175.10 174.33 3jx3 s PRO 681 N 2.67 1.97 0.00 2.72 0.02 -1.26 -4.90 135.00 136.22 3jx3 s PRO 681 Ca 0.65 1.84 0.17 0.00 0.02 0.00 0.00 61.00 63.68 3jx3 s PRO 681 Cb -0.32 -1.80 1.00 0.00 0.02 0.00 0.00 34.50 33.40 3jx3 s PRO 681 CO 0.26 -1.98 1.52 -0.35 -0.33 0.00 0.00 177.00 176.12 3jx3 n PRO 682 N -2.83 0.83 -4.11 5.54 -0.04 -1.26 -4.34 135.00 128.80 3jx3 n PRO 682 Ca 0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 3jx3 n PRO 682 Cb 0.50 -1.31 -0.11 0.00 -0.04 0.00 0.00 33.50 32.54 3jx3 n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jx3 s MET 683 N -2.00 0.66 -1.49 0.54 0.23 -1.26 -4.93 119.30 111.06 3jx3 s MET 683 Ca 0.25 -1.06 -0.12 0.00 -1.03 0.00 0.00 55.69 53.74 3jx3 s MET 683 Cb 0.11 -0.18 0.07 0.00 -1.53 0.00 0.00 34.83 33.31 3jx3 s MET 683 CO 0.19 -0.00 0.85 0.43 -2.03 0.00 0.00 175.02 174.46 3jx3 n SER 684 N 0.66 -4.84 -0.21 -1.18 7.64 -1.26 -4.87 113.62 109.56 3jx3 n SER 684 Ca -0.17 -0.64 -0.08 0.00 1.01 0.00 0.00 58.87 58.99 3jx3 n SER 684 Cb 0.58 -3.88 -0.04 0.00 -1.01 0.00 0.00 64.21 59.86 3jx3 n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3jx3 h GLY 685 N -1.81 -0.47 1.91 0.23 0.00 -1.92 -2.56 103.07 98.45 3jx3 h GLY 685 Ca -0.54 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3jx3 h GLY 685 CO 0.63 -0.16 0.00 -1.14 0.00 0.00 0.00 176.54 175.87 3jx3 n SER 686 N -5.40 0.00 -0.65 0.19 3.41 -1.26 -2.21 113.62 107.69 3jx3 n SER 686 Ca 0.02 0.37 0.10 0.00 -0.26 0.00 0.00 58.87 59.10 3jx3 n SER 686 Cb 0.35 -0.46 0.34 0.00 -0.26 0.00 0.00 64.21 64.18 3jx3 n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jx3 n ILE 687 N -1.46 0.26 -4.07 -1.33 -5.35 -0.97 -4.82 119.36 101.63 3jx3 n ILE 687 Ca 0.08 -0.41 -0.30 0.00 -0.27 0.00 0.00 62.75 61.85 3jx3 n ILE 687 Cb 0.32 0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 38.61 3jx3 n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jx3 s THR 688 N -1.74 4.39 0.20 7.28 -4.23 -0.94 -5.04 115.64 115.55 3jx3 s THR 688 Ca 0.33 -0.86 0.20 0.00 -1.18 0.00 0.00 61.69 60.18 3jx3 s THR 688 Cb 0.18 -3.12 0.16 0.00 1.34 0.00 0.00 72.50 71.06 3jx3 s THR 688 CO 0.27 0.10 1.78 1.55 -0.54 0.00 0.00 174.62 177.78 3jx3 h PRO 689 N 3.25 0.00 0.00 3.99 0.13 -1.87 -2.94 132.00 134.55 3jx3 h PRO 689 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3jx3 h PRO 689 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3jx3 h PRO 689 CO 0.64 0.33 -0.02 -0.39 -0.23 0.00 0.00 178.00 178.33 3jx3 h VAL 690 N 0.00 0.77 -0.74 1.56 -1.51 -1.88 -2.09 116.25 112.36 3jx3 h VAL 690 Ca -0.00 -0.07 0.06 0.00 -1.23 0.00 0.00 66.70 65.45 3jx3 h VAL 690 Cb 0.81 1.04 -0.04 0.00 -2.13 0.00 0.00 31.29 30.97 3jx3 h VAL 690 CO 0.04 0.02 0.48 0.15 -1.23 0.00 0.00 177.57 177.03 3jx3 h PHE 691 N 0.00 0.81 -0.02 5.19 3.57 -1.69 -2.19 116.94 122.60 3jx3 h PHE 691 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3jx3 h PHE 691 Cb 0.04 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.51 3jx3 h PHE 691 CO 0.00 0.44 -0.08 0.72 -2.23 0.00 0.00 178.31 177.16 3jx3 n HIS 692 N -4.47 0.00 -3.42 0.41 8.25 -0.79 -4.83 115.22 110.36 3jx3 n HIS 692 Ca 0.10 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.17 3jx3 n HIS 692 Cb 0.19 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.19 3jx3 n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jx3 s GLN 693 N -2.13 3.75 0.48 -0.41 2.00 -0.83 -0.82 119.66 121.71 3jx3 s GLN 693 Ca 0.32 -0.27 -0.23 0.00 -2.00 0.00 0.00 55.36 53.18 3jx3 s GLN 693 Cb 0.20 -3.74 -0.07 0.00 0.80 0.00 0.00 33.01 30.21 3jx3 s GLN 693 CO 0.38 -0.40 1.25 -1.21 -0.50 0.00 0.00 175.29 174.80 3jx3 s GLU 694 N 2.00 3.58 0.05 1.67 2.02 -0.71 -4.98 118.70 122.32 3jx3 s GLU 694 Ca 0.12 1.98 0.02 0.00 0.02 0.00 0.00 54.97 57.11 3jx3 s GLU 694 Cb -0.16 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 3jx3 s GLU 694 CO 0.11 -0.76 -0.08 -1.64 0.02 0.00 0.00 175.26 172.91 3jx3 s MET 695 N -2.71 0.59 -0.11 1.61 -1.94 -1.26 -4.68 119.30 110.79 3jx3 s MET 695 Ca 0.65 -0.83 -0.00 0.00 -1.71 0.00 0.00 55.69 53.80 3jx3 s MET 695 Cb -0.34 -0.34 -0.02 0.00 2.01 0.00 0.00 34.83 36.14 3jx3 s MET 695 CO 0.41 0.06 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.86 3jx3 s LEU 696 N -1.74 2.90 -0.16 -0.03 1.43 -1.25 -4.95 118.68 114.88 3jx3 s LEU 696 Ca -0.07 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 3jx3 s LEU 696 Cb -0.09 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 3jx3 s LEU 696 CO 0.00 0.22 -0.06 0.21 0.23 0.00 0.00 176.35 176.95 3jx3 s ASN 697 N 0.02 4.54 0.14 2.29 3.04 -1.23 -0.80 114.94 122.94 3jx3 s ASN 697 Ca -0.03 -0.22 -0.21 0.00 0.04 0.00 0.00 52.86 52.45 3jx3 s ASN 697 Cb -0.14 -1.74 0.06 0.00 -1.54 0.00 0.00 41.25 37.89 3jx3 s ASN 697 CO 0.04 0.14 0.54 -0.72 -3.04 0.00 0.00 177.10 174.05 3jx3 s TYR 698 N 0.53 -0.44 -0.32 0.43 -0.85 -1.26 -4.95 117.35 110.49 3jx3 s TYR 698 Ca -0.04 0.21 -0.09 0.00 -0.52 0.00 0.00 57.07 56.62 3jx3 s TYR 698 Cb -0.15 0.46 0.00 0.00 0.38 0.00 0.00 41.96 42.66 3jx3 s TYR 698 CO 0.03 -0.80 0.14 1.03 -1.52 0.00 0.00 175.55 174.44 3jx3 s ARG 699 N -3.70 3.21 0.12 -3.49 0.52 -1.26 -4.81 118.95 109.54 3jx3 s ARG 699 Ca 0.01 -0.80 0.06 0.00 -0.52 0.00 0.00 55.73 54.49 3jx3 s ARG 699 Cb -0.00 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 3jx3 s ARG 699 CO -0.12 -0.46 -0.02 -0.51 0.02 0.00 0.00 175.30 174.20 3jx3 s LEU 700 N 1.58 3.31 0.16 2.53 1.43 -1.26 -2.22 118.68 124.20 3jx3 s LEU 700 Ca 0.04 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 3jx3 s LEU 700 Cb -0.17 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3jx3 s LEU 700 CO 0.05 0.14 -0.03 0.42 0.23 0.00 0.00 176.35 177.17 3jx3 s THR 701 N -1.44 3.63 0.72 5.49 -4.23 -1.26 -4.20 115.64 114.35 3jx3 s THR 701 Ca 0.25 -1.39 -0.16 0.00 -1.18 0.00 0.00 61.69 59.21 3jx3 s THR 701 Cb -0.11 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 70.94 3jx3 s THR 701 CO 0.17 -0.06 0.97 -2.65 -0.54 0.00 0.00 174.62 172.52 3jx3 n PRO 702 N 0.08 0.52 -3.85 3.99 -0.02 -1.26 -5.01 135.00 129.45 3jx3 n PRO 702 Ca -0.10 0.23 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 3jx3 n PRO 702 Cb 0.54 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 3jx3 n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jx3 s SER 703 N -1.63 0.09 -0.10 2.55 1.04 -0.91 -3.79 113.70 110.94 3jx3 s SER 703 Ca 0.73 -0.56 -0.11 0.00 0.48 0.00 0.00 55.95 56.49 3jx3 s SER 703 Cb -0.35 0.33 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 3jx3 s SER 703 CO 0.50 -0.68 0.24 -0.36 0.98 0.00 0.00 173.24 173.92 3jx3 s PHE 704 N -3.50 3.59 0.07 5.02 0.40 -1.26 -1.09 117.98 121.22 3jx3 s PHE 704 Ca 0.02 0.65 0.07 0.00 -0.60 0.00 0.00 56.93 57.07 3jx3 s PHE 704 Cb 0.03 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 3jx3 s PHE 704 CO -0.09 0.59 -0.18 -1.21 0.70 0.00 0.00 175.22 175.03 3jx3 s GLU 705 N -0.66 1.04 0.54 0.44 0.41 0.41 -4.93 118.70 115.95 3jx3 s GLU 705 Ca 0.17 -1.00 -0.19 0.00 -0.41 0.00 0.00 54.97 53.53 3jx3 s GLU 705 Cb -0.13 -1.17 -0.06 0.00 -1.78 0.00 0.00 34.13 30.99 3jx3 s GLU 705 CO 0.06 0.28 1.13 -0.47 -0.49 0.00 0.00 175.26 175.76 3jx3 s TYR 706 N -1.09 2.67 0.01 1.61 5.04 -1.26 -0.70 117.35 123.62 3jx3 s TYR 706 Ca 0.03 1.54 -0.02 0.00 -2.44 0.00 0.00 57.07 56.19 3jx3 s TYR 706 Cb -0.09 -3.29 -0.01 0.00 0.35 0.00 0.00 41.96 38.91 3jx3 s TYR 706 CO 0.03 -1.58 0.02 1.14 -1.34 0.00 0.00 175.55 173.82 3jx3 s GLN 707 N -3.28 0.33 0.41 4.97 -2.07 -1.26 -4.77 119.66 113.99 3jx3 s GLN 707 Ca 0.73 -0.50 -0.25 0.00 -1.82 0.00 0.00 55.36 53.52 3jx3 s GLN 707 Cb -0.24 0.12 -0.08 0.00 -1.09 0.00 0.00 33.01 31.72 3jx3 s GLN 707 CO 0.27 -0.06 1.19 -1.25 -1.32 0.00 0.00 175.29 174.11 3jx3 s PRO 708 N -1.31 4.01 -0.12 9.60 0.04 -1.26 -4.92 135.00 141.04 3jx3 s PRO 708 Ca -0.14 1.87 -0.42 0.00 0.04 0.00 0.00 61.00 62.36 3jx3 s PRO 708 Cb -0.09 -2.66 -0.20 0.00 0.04 0.00 0.00 34.50 31.60 3jx3 s PRO 708 CO -0.00 -0.37 1.23 -0.25 0.04 0.00 0.00 177.00 177.64 3jx3 n ASP 709 N 0.02 0.41 0.16 6.66 8.00 -1.26 -4.81 116.55 125.72 3jx3 n ASP 709 Ca 0.05 1.16 0.13 0.00 0.71 0.00 0.00 54.79 56.84 3jx3 n ASP 709 Cb 0.46 -0.93 0.54 0.00 -0.02 0.00 0.00 41.12 41.18 3jx3 n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3jx3 h PRO 710 N 3.64 0.00 0.00 -0.24 0.13 -1.91 -2.93 132.00 130.69 3jx3 h PRO 710 Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 3jx3 h PRO 710 Cb 1.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 3jx3 h PRO 710 CO 0.74 0.00 -0.17 0.11 -0.23 0.00 0.00 178.00 178.45 3jx3 h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.92 0.18 115.95 115.86 3jx3 h TRP 711 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3jx3 h TRP 711 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.60 3jx3 h TRP 711 CO 0.00 0.17 0.00 0.09 0.09 0.00 0.00 178.44 178.79 3jx3 n ASN 712 N -3.26 0.62 -0.07 0.11 3.02 -1.10 -4.22 115.26 110.34 3jx3 n ASN 712 Ca 0.01 0.60 -0.15 0.00 -0.03 0.00 0.00 54.58 55.01 3jx3 n ASN 712 Cb 0.45 -0.75 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 3jx3 n ASN 712 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3jx3 n THR 713 N -2.13 0.80 -2.10 3.41 -1.04 -0.65 -5.02 114.28 107.55 3jx3 n THR 713 Ca 0.04 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.05 61.42 3jx3 n THR 713 Cb 0.31 -1.59 -0.02 0.00 -1.82 0.00 0.00 70.33 67.22 3jx3 n THR 713 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3jx3 s HIS 714 N -2.27 3.04 -0.09 -1.42 5.65 0.52 -5.03 115.29 115.69 3jx3 s HIS 714 Ca -0.20 1.35 -0.01 0.00 0.25 0.00 0.00 55.06 56.45 3jx3 s HIS 714 Cb 0.07 -3.70 -0.03 0.00 -1.18 0.00 0.00 32.58 27.74 3jx3 s HIS 714 CO 0.27 -1.99 -0.05 0.14 -0.65 0.00 0.00 174.74 172.46 3jx3 s VAL 715 N -0.94 3.83 -2.14 0.89 -7.23 -1.26 -4.93 120.40 108.62 3jx3 s VAL 715 Ca 0.51 -0.42 0.31 0.00 -1.81 0.00 0.00 61.98 60.57 3jx3 s VAL 715 Cb -0.40 -2.60 0.81 0.00 0.56 0.00 0.00 36.38 34.75 3jx3 s VAL 715 CO 0.51 0.57 2.10 0.79 -0.31 0.00 0.00 175.10 178.76