#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mj2 s ILE 358 N 0.00 5.34 0.22 2.52 1.01 -0.20 -4.91 121.20 125.18 3mj2 s ILE 358 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.70 3mj2 s ILE 358 Cb 0.00 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.83 3mj2 s ILE 358 CO 0.00 0.38 1.34 -0.62 0.00 0.00 0.00 174.94 176.04 3mj2 s ASP 359 N 0.64 6.83 0.38 3.58 -1.08 -1.26 -4.28 116.67 121.48 3mj2 s ASP 359 Ca 0.12 2.48 0.14 0.00 -0.52 0.00 0.00 52.55 54.77 3mj2 s ASP 359 Cb -0.13 -2.61 0.98 0.00 -1.46 0.00 0.00 42.92 39.70 3mj2 s ASP 359 CO 0.02 -0.57 1.82 -0.65 0.52 0.00 0.00 175.17 176.31 3mj2 h PRO 360 N 5.22 0.50 0.00 4.34 0.11 -1.96 -0.46 132.00 139.76 3mj2 h PRO 360 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3mj2 h PRO 360 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3mj2 h PRO 360 CO 0.77 0.33 0.00 0.66 -0.21 0.00 0.00 178.00 179.55 3mj2 h SER 361 N 0.52 0.00 0.40 -2.05 4.64 -2.00 -2.22 113.55 112.84 3mj2 h SER 361 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3mj2 h SER 361 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3mj2 h SER 361 CO -0.25 0.00 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.06 3mj2 n GLU 362 N -2.43 0.62 -4.95 4.77 1.02 -0.18 -4.84 120.64 114.65 3mj2 n GLU 362 Ca 0.01 -0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.76 3mj2 n GLU 362 Cb 0.19 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.97 3mj2 n GLU 362 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mj2 s LEU 363 N -2.44 2.37 -0.15 -4.62 1.43 -0.84 -0.53 118.68 113.91 3mj2 s LEU 363 Ca 0.32 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3mj2 s LEU 363 Cb 0.21 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 45.03 3mj2 s LEU 363 CO 0.45 0.29 -0.16 -0.89 0.23 0.00 0.00 176.35 176.27 3mj2 s THR 364 N -0.77 1.70 -0.29 5.49 2.01 -0.34 -4.97 115.64 118.47 3mj2 s THR 364 Ca 0.12 -0.73 -0.24 0.00 0.31 0.00 0.00 61.69 61.15 3mj2 s THR 364 Cb -0.10 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 70.84 3mj2 s THR 364 CO 0.02 0.48 0.82 -0.36 -0.69 0.00 0.00 174.62 174.89 3mj2 s PHE 365 N 1.28 3.22 -0.19 4.92 0.40 -1.26 -0.98 117.98 125.38 3mj2 s PHE 365 Ca 0.01 0.92 -0.17 0.00 -0.60 0.00 0.00 56.93 57.09 3mj2 s PHE 365 Cb -0.14 -3.22 -0.06 0.00 0.51 0.00 0.00 43.02 40.11 3mj2 s PHE 365 CO -0.08 -0.55 -0.34 0.28 0.70 0.00 0.00 175.22 175.23 3mj2 n VAL 366 N 5.50 1.50 -3.69 -0.44 0.31 -0.29 -5.00 118.33 116.22 3mj2 n VAL 366 Ca 0.05 0.11 -0.14 0.00 -0.01 0.00 0.00 64.34 64.35 3mj2 n VAL 366 Cb 0.48 -2.32 -0.09 0.00 -0.91 0.00 0.00 33.84 31.00 3mj2 n VAL 366 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mj2 s GLN 367 N -2.84 0.64 0.12 5.55 -2.07 -1.02 -5.01 119.66 115.03 3mj2 s GLN 367 Ca -0.29 0.54 -0.31 0.00 -1.82 0.00 0.00 55.36 53.48 3mj2 s GLN 367 Cb 0.05 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 32.18 3mj2 s GLN 367 CO 0.42 -0.11 1.54 -2.00 -1.32 0.00 0.00 175.29 173.82 3mj2 s GLU 368 N -0.08 4.24 -0.01 9.60 2.12 -1.26 -0.49 118.70 132.82 3mj2 s GLU 368 Ca -0.03 2.26 0.08 0.00 0.36 0.00 0.00 54.97 57.65 3mj2 s GLU 368 Cb -0.03 -3.31 -0.11 0.00 0.26 0.00 0.00 34.13 30.94 3mj2 s GLU 368 CO 0.02 -0.60 0.23 0.44 -0.54 0.00 0.00 175.26 174.82 3mj2 n ILE 369 N 4.19 0.00 -3.63 -3.70 -5.35 0.36 -4.87 119.36 106.36 3mj2 n ILE 369 Ca 0.14 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3mj2 n ILE 369 Cb 0.40 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 3mj2 n ILE 369 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mj2 n GLY 370 N 1.72 -0.92 2.95 3.28 0.00 -1.13 -5.02 105.19 106.08 3mj2 n GLY 370 Ca -0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 3mj2 n GLY 370 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mj2 s SER 371 N -4.00 0.41 0.00 1.61 0.01 -1.26 -1.13 113.70 109.33 3mj2 s SER 371 Ca 0.00 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.05 3mj2 s SER 371 Cb 0.00 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.23 3mj2 s SER 371 CO 0.00 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.20 3mj2 n GLY 372 N 2.50 6.19 0.37 3.44 0.00 0.04 -4.97 105.19 112.75 3mj2 n GLY 372 Ca -0.16 -1.72 0.08 0.00 0.00 0.00 0.00 46.02 44.23 3mj2 n GLY 372 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3mj2 h GLN 373 N 0.00 0.86 -0.11 1.61 1.08 -2.01 -2.88 115.11 113.66 3mj2 h GLN 373 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3mj2 h GLN 373 Cb 0.00 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.24 3mj2 h GLN 373 CO 0.00 0.57 0.00 1.19 -0.95 0.00 0.00 178.83 179.64 3mj2 n PHE 374 N -4.58 0.12 0.00 2.96 3.72 -1.26 -4.98 117.46 113.44 3mj2 n PHE 374 Ca 0.18 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 3mj2 n PHE 374 Cb 0.37 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 3mj2 n PHE 374 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mj2 n GLY 375 N 1.00 0.18 3.77 1.37 0.00 -1.09 0.35 105.19 110.77 3mj2 n GLY 375 Ca 0.11 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 3mj2 n GLY 375 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mj2 s LEU 376 N 0.00 4.14 -0.11 0.99 1.43 -1.14 -0.78 118.68 123.21 3mj2 s LEU 376 Ca 0.00 2.37 0.03 0.00 -1.03 0.00 0.00 54.13 55.49 3mj2 s LEU 376 Cb 0.00 -4.07 0.01 0.00 0.03 0.00 0.00 46.19 42.15 3mj2 s LEU 376 CO 0.00 -0.77 -0.19 -0.69 0.23 0.00 0.00 176.35 174.93 3mj2 s VAL 377 N -1.44 1.74 0.01 -1.59 1.01 -0.29 -0.39 120.40 119.46 3mj2 s VAL 377 Ca 0.59 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.82 3mj2 s VAL 377 Cb -0.31 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3mj2 s VAL 377 CO 0.38 0.49 -0.19 -1.00 0.00 0.00 0.00 175.10 174.79 3mj2 s HIS 378 N 0.69 2.54 0.17 5.22 3.76 0.12 -0.49 115.29 127.30 3mj2 s HIS 378 Ca -0.12 -0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 54.22 3mj2 s HIS 378 Cb -0.16 -1.50 -0.08 0.00 1.11 0.00 0.00 32.58 31.95 3mj2 s HIS 378 CO 0.03 0.19 1.29 -1.17 -0.85 0.00 0.00 174.74 174.22 3mj2 s LEU 379 N -1.16 4.41 0.35 0.89 2.96 0.36 -0.48 118.68 126.01 3mj2 s LEU 379 Ca 0.13 2.31 0.02 0.00 -0.22 0.00 0.00 54.13 56.37 3mj2 s LEU 379 Cb -0.10 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 3mj2 s LEU 379 CO 0.03 -0.51 0.41 -0.83 -1.32 0.00 0.00 176.35 174.13 3mj2 s GLY 380 N 0.51 1.89 0.03 7.98 0.00 0.16 -1.14 107.32 116.74 3mj2 s GLY 380 Ca 0.57 -1.77 0.07 0.00 0.00 0.00 0.00 44.72 43.59 3mj2 s GLY 380 CO 0.35 -1.20 -0.21 -0.19 0.00 0.00 0.00 173.10 171.86 3mj2 s TYR 381 N -3.12 1.82 -0.22 1.90 1.51 -0.15 -1.00 117.35 118.09 3mj2 s TYR 381 Ca 0.35 -0.37 -0.05 0.00 -1.01 0.00 0.00 57.07 55.99 3mj2 s TYR 381 Cb 0.00 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.73 3mj2 s TYR 381 CO 0.24 0.06 -0.01 -0.46 -1.11 0.00 0.00 175.55 174.27 3mj2 s TRP 382 N -0.72 3.00 -1.45 2.71 -0.00 -0.10 -1.20 118.94 121.19 3mj2 s TRP 382 Ca 0.08 -0.71 -0.05 0.00 -0.00 0.00 0.00 56.10 55.41 3mj2 s TRP 382 Cb -0.09 -2.13 0.04 0.00 -0.00 0.00 0.00 33.47 31.30 3mj2 s TRP 382 CO 0.01 -0.43 0.64 1.28 -0.00 0.00 0.00 176.95 178.45 3mj2 n LEU 383 N 4.69 -2.40 -1.09 5.86 7.99 0.31 -2.78 117.00 129.57 3mj2 n LEU 383 Ca -0.17 -0.92 -0.09 0.00 -0.01 0.00 0.00 56.01 54.81 3mj2 n LEU 383 Cb 0.51 -2.36 -0.04 0.00 -0.11 0.00 0.00 43.42 41.42 3mj2 n LEU 383 CO 0.30 0.41 -0.09 0.59 -1.51 0.00 0.00 177.39 177.09 3mj2 n ASN 384 N -2.92 -3.03 0.01 -1.43 3.02 -1.26 -4.62 115.26 105.03 3mj2 n ASN 384 Ca -0.18 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 3mj2 n ASN 384 Cb 0.62 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 37.07 3mj2 n ASN 384 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3mj2 n LYS 385 N -1.34 0.00 -3.59 3.52 4.81 -1.14 -5.09 118.16 115.34 3mj2 n LYS 385 Ca -0.09 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.99 3mj2 n LYS 385 Cb 0.35 -0.23 -0.07 0.00 0.02 0.00 0.00 35.03 35.10 3mj2 n LYS 385 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3mj2 s ASP 386 N -5.06 6.40 0.13 3.14 1.01 -1.12 -4.90 116.67 116.28 3mj2 s ASP 386 Ca 0.00 0.47 -0.31 0.00 0.71 0.00 0.00 52.55 53.42 3mj2 s ASP 386 Cb 0.00 -2.16 -0.10 0.00 1.01 0.00 0.00 42.92 41.67 3mj2 s ASP 386 CO 0.00 0.14 1.63 -0.54 0.21 0.00 0.00 175.17 176.61 3mj2 s LYS 387 N 0.31 4.20 0.10 8.23 1.02 -1.26 -0.92 119.74 131.41 3mj2 s LYS 387 Ca 0.15 2.39 0.02 0.00 0.02 0.00 0.00 55.97 58.55 3mj2 s LYS 387 Cb -0.13 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3mj2 s LYS 387 CO 0.03 -0.68 -0.07 0.14 -0.92 0.00 0.00 175.35 173.85 3mj2 s VAL 388 N 1.73 0.74 -0.17 3.17 -7.23 -0.17 -4.08 120.40 114.40 3mj2 s VAL 388 Ca 0.72 -1.86 -0.06 0.00 -1.81 0.00 0.00 61.98 58.97 3mj2 s VAL 388 Cb -0.43 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3mj2 s VAL 388 CO 0.32 -0.80 0.05 0.00 -0.31 0.00 0.00 175.10 174.35 3mj2 s ALA 389 N -3.34 3.36 -0.22 1.32 0.00 -0.50 -0.67 121.76 121.71 3mj2 s ALA 389 Ca 0.10 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 3mj2 s ALA 389 Cb 0.03 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 21.32 3mj2 s ALA 389 CO -0.04 0.23 -0.10 0.42 0.00 0.00 0.00 175.76 176.28 3mj2 s ILE 390 N 0.22 2.82 -0.21 0.00 1.01 0.36 -0.25 121.20 125.16 3mj2 s ILE 390 Ca 0.03 -0.78 -0.22 0.00 0.00 0.00 0.00 60.65 59.68 3mj2 s ILE 390 Cb -0.12 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 3mj2 s ILE 390 CO 0.01 0.39 0.67 -0.54 0.00 0.00 0.00 174.94 175.47 3mj2 s LYS 391 N 1.38 4.20 -0.35 2.79 1.02 -0.07 -0.71 119.74 128.01 3mj2 s LYS 391 Ca 0.04 0.68 -0.15 0.00 0.02 0.00 0.00 55.97 56.56 3mj2 s LYS 391 Cb -0.15 -3.59 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 3mj2 s LYS 391 CO -0.07 -0.30 0.34 0.99 -0.92 0.00 0.00 175.35 175.40 3mj2 s THR 392 N 2.09 5.19 -0.37 2.17 2.01 0.47 -1.27 115.64 125.94 3mj2 s THR 392 Ca 0.30 -0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.96 3mj2 s THR 392 Cb -0.16 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.54 3mj2 s THR 392 CO 0.10 -0.11 1.02 -0.63 -0.69 0.00 0.00 174.62 174.31 3mj2 s ILE 393 N 1.96 4.49 0.54 1.82 1.01 -0.98 -2.88 121.20 127.17 3mj2 s ILE 393 Ca 0.10 1.41 -0.19 0.00 0.00 0.00 0.00 60.65 61.97 3mj2 s ILE 393 Cb -0.17 -4.41 -0.06 0.00 0.01 0.00 0.00 42.46 37.83 3mj2 s ILE 393 CO 0.12 -0.60 1.12 -0.60 0.00 0.00 0.00 174.94 174.98 3mj2 s ARG 394 N 3.71 3.37 0.23 2.79 3.52 0.16 -4.49 118.95 128.24 3mj2 s ARG 394 Ca 0.43 1.58 -0.32 0.00 -0.13 0.00 0.00 55.73 57.29 3mj2 s ARG 394 Cb -0.11 -2.01 -0.13 0.00 -1.56 0.00 0.00 34.95 31.14 3mj2 s ARG 394 CO 0.20 -0.83 1.57 0.39 -0.81 0.00 0.00 175.30 175.82 3mj2 n GLU 395 N -1.33 2.42 -0.50 5.12 1.02 -1.26 -2.46 120.64 123.65 3mj2 n GLU 395 Ca 0.11 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 3mj2 n GLU 395 Cb 0.51 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.30 3mj2 n GLU 395 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mj2 n GLY 396 N 2.84 1.80 0.12 0.62 0.00 -1.26 -4.88 105.19 104.44 3mj2 n GLY 396 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3mj2 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mj2 h ALA 397 N 0.00 0.10 -3.23 4.61 0.00 -1.84 -3.41 119.26 115.48 3mj2 h ALA 397 Ca 0.00 -0.97 -0.65 0.00 0.00 0.00 0.00 54.91 53.29 3mj2 h ALA 397 Cb 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 3mj2 h ALA 397 CO 0.00 0.68 -0.62 -1.64 0.00 0.00 0.00 179.25 177.67 3mj2 s MET 398 N -2.45 2.81 -0.95 0.00 -1.94 -1.26 -1.68 119.30 113.82 3mj2 s MET 398 Ca -0.19 -0.70 -0.22 0.00 -1.71 0.00 0.00 55.69 52.87 3mj2 s MET 398 Cb 0.03 -2.69 0.07 0.00 2.01 0.00 0.00 34.83 34.26 3mj2 s MET 398 CO 0.77 0.57 1.33 0.45 -0.01 0.00 0.00 175.02 178.13 3mj2 s SER 399 N -2.25 6.49 0.01 3.03 0.15 0.12 -4.86 113.70 116.39 3mj2 s SER 399 Ca 0.27 -1.50 -0.25 0.00 0.70 0.00 0.00 55.95 55.16 3mj2 s SER 399 Cb -0.12 -2.52 -0.16 0.00 -1.71 0.00 0.00 66.02 61.51 3mj2 s SER 399 CO 0.20 -1.41 1.24 -0.08 1.20 0.00 0.00 173.24 174.38 3mj2 h GLU 400 N 9.55 -0.49 -0.18 5.44 4.81 -1.97 -2.13 114.58 129.61 3mj2 h GLU 400 Ca 0.12 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3mj2 h GLU 400 Cb 1.02 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3mj2 h GLU 400 CO 1.32 -0.18 -0.15 1.05 -0.73 0.00 0.00 179.01 180.32 3mj2 h GLU 401 N -0.82 0.29 -0.31 1.92 4.11 -1.99 -1.44 114.58 116.34 3mj2 h GLU 401 Ca -0.05 -0.08 -0.12 0.00 0.07 0.00 0.00 59.36 59.19 3mj2 h GLU 401 Cb 0.53 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3mj2 h GLU 401 CO 0.08 0.45 -0.29 -0.44 0.07 0.00 0.00 179.01 178.88 3mj2 h ASP 402 N 0.28 0.65 -0.24 3.06 3.45 -1.98 -2.81 116.42 118.84 3mj2 h ASP 402 Ca 0.05 -0.25 -0.14 0.00 0.43 0.00 0.00 57.03 57.12 3mj2 h ASP 402 Cb 0.43 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3mj2 h ASP 402 CO 0.03 0.91 -0.39 0.15 -1.57 0.00 0.00 179.24 178.37 3mj2 h PHE 403 N 0.55 0.85 0.00 4.55 3.57 -0.87 -2.97 116.94 122.62 3mj2 h PHE 403 Ca 0.07 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 61.27 3mj2 h PHE 403 Cb 0.78 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.35 3mj2 h PHE 403 CO 0.03 1.06 -0.01 0.82 -2.23 0.00 0.00 178.31 177.99 3mj2 h ILE 404 N 0.40 0.46 0.51 1.41 2.04 -1.21 0.31 117.51 121.44 3mj2 h ILE 404 Ca 0.02 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3mj2 h ILE 404 Cb 0.98 1.02 0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3mj2 h ILE 404 CO 0.09 0.01 -0.25 -0.33 0.00 0.00 0.00 178.15 177.67 3mj2 h GLU 405 N 0.00 -0.66 0.00 2.37 5.08 -1.44 -3.32 114.58 116.61 3mj2 h GLU 405 Ca -0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3mj2 h GLU 405 Cb 0.02 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3mj2 h GLU 405 CO 0.00 -0.36 0.00 0.39 -1.00 0.00 0.00 179.01 178.04 3mj2 n GLU 406 N -5.27 0.27 -0.25 2.33 4.71 -0.31 -3.64 120.64 118.48 3mj2 n GLU 406 Ca -0.11 0.08 -0.07 0.00 -0.01 0.00 0.00 57.16 57.06 3mj2 n GLU 406 Cb 0.32 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.31 3mj2 n GLU 406 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mj2 h ALA 407 N 3.03 0.99 -0.59 0.62 0.00 -0.55 -1.95 119.26 120.80 3mj2 h ALA 407 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3mj2 h ALA 407 Cb 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3mj2 h ALA 407 CO 0.00 0.66 0.33 0.93 0.00 0.00 0.00 179.25 181.17 3mj2 h GLU 408 N 1.06 0.82 -0.11 0.00 4.39 -1.77 -0.59 114.58 118.39 3mj2 h GLU 408 Ca 0.22 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 3mj2 h GLU 408 Cb 0.35 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3mj2 h GLU 408 CO -0.00 0.62 -0.31 0.28 -1.16 0.00 0.00 179.01 178.44 3mj2 h VAL 409 N 0.80 1.39 -0.78 3.13 2.07 -1.78 -2.51 116.25 118.58 3mj2 h VAL 409 Ca 0.21 -1.64 0.12 0.00 0.82 0.00 0.00 66.70 66.21 3mj2 h VAL 409 Cb 0.03 2.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.88 3mj2 h VAL 409 CO -0.04 0.48 0.38 0.24 0.02 0.00 0.00 177.57 178.65 3mj2 h MET 410 N -0.04 0.58 -0.65 1.57 2.86 -1.22 -0.78 114.93 117.24 3mj2 h MET 410 Ca -0.01 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 3mj2 h MET 410 Cb 0.93 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 3mj2 h MET 410 CO 0.07 0.38 0.14 0.52 1.06 0.00 0.00 176.91 179.08 3mj2 h MET 411 N 0.59 1.05 0.00 1.72 2.07 -1.11 -2.81 114.93 116.44 3mj2 h MET 411 Ca 0.40 -0.25 -0.01 0.00 -2.07 0.00 0.00 59.70 57.77 3mj2 h MET 411 Cb 0.51 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 30.10 3mj2 h MET 411 CO -0.32 0.94 -0.07 0.87 1.07 0.00 0.00 176.91 179.40 3mj2 h LYS 412 N 0.99 0.00 -6.23 1.72 1.57 -0.72 -3.40 116.57 110.49 3mj2 h LYS 412 Ca 0.21 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.42 3mj2 h LYS 412 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3mj2 h LYS 412 CO 0.00 0.07 0.99 -0.51 -0.57 0.00 0.00 179.45 179.43 3mj2 s LEU 413 N -6.58 4.10 -0.03 2.94 1.43 -0.56 -5.00 118.68 114.98 3mj2 s LEU 413 Ca -0.01 1.68 -0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3mj2 s LEU 413 Cb 0.11 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.82 3mj2 s LEU 413 CO 0.54 -0.94 0.02 -0.55 0.23 0.00 0.00 176.35 175.66 3mj2 s SER 414 N 2.79 0.51 -0.22 2.29 0.15 -1.26 -4.89 113.70 113.06 3mj2 s SER 414 Ca 0.61 0.02 -0.25 0.00 0.70 0.00 0.00 55.95 57.03 3mj2 s SER 414 Cb -0.23 -0.16 0.07 0.00 -1.71 0.00 0.00 66.02 63.99 3mj2 s SER 414 CO 0.22 -0.15 0.68 -2.28 1.20 0.00 0.00 173.24 172.91 3mj2 s HIS 415 N 1.35 -0.73 0.08 3.44 5.04 -1.26 -5.04 115.29 118.17 3mj2 s HIS 415 Ca -0.05 1.70 0.29 0.00 -1.54 0.00 0.00 55.06 55.46 3mj2 s HIS 415 Cb -0.13 0.28 1.59 0.00 0.04 0.00 0.00 32.58 34.36 3mj2 s HIS 415 CO -0.03 -0.40 1.90 -1.00 -2.34 0.00 0.00 174.74 172.87 3mj2 h PRO 416 N 4.70 0.00 -0.39 2.88 0.13 -2.00 -1.42 132.00 135.89 3mj2 h PRO 416 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3mj2 h PRO 416 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3mj2 h PRO 416 CO 0.13 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.53 3mj2 n LYS 417 N -2.54 3.29 -5.07 0.86 4.76 -1.26 -4.88 118.16 113.31 3mj2 n LYS 417 Ca -0.02 -2.70 -0.32 0.00 -2.87 0.00 0.00 58.31 52.40 3mj2 n LYS 417 Cb 0.06 -1.77 -0.16 0.00 -1.84 0.00 0.00 35.03 31.32 3mj2 n LYS 417 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3mj2 s LEU 418 N -2.21 2.34 0.03 -0.35 1.43 -0.54 -0.52 118.68 118.87 3mj2 s LEU 418 Ca 0.41 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 3mj2 s LEU 418 Cb 0.30 -1.47 -0.09 0.00 0.03 0.00 0.00 46.19 44.96 3mj2 s LEU 418 CO 0.14 0.22 1.92 -0.69 0.23 0.00 0.00 176.35 178.17 3mj2 s VAL 419 N 0.02 3.07 -0.04 -1.59 1.01 -0.26 -4.63 120.40 117.97 3mj2 s VAL 419 Ca -0.07 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 3mj2 s VAL 419 Cb -0.15 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 3mj2 s VAL 419 CO 0.05 -0.01 1.09 -1.58 0.00 0.00 0.00 175.10 174.65 3mj2 s GLN 420 N 4.30 4.43 -0.49 2.72 2.00 -1.26 -4.90 119.66 126.45 3mj2 s GLN 420 Ca 0.86 1.54 -0.27 0.00 -2.00 0.00 0.00 55.36 55.49 3mj2 s GLN 420 Cb -0.42 -3.50 0.03 0.00 0.80 0.00 0.00 33.01 29.92 3mj2 s GLN 420 CO 0.40 -0.29 1.02 -1.17 -0.50 0.00 0.00 175.29 174.75 3mj2 s LEU 421 N 1.73 3.84 0.20 3.68 2.96 -1.26 -1.61 118.68 128.21 3mj2 s LEU 421 Ca 0.53 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.65 3mj2 s LEU 421 Cb -0.22 -3.24 0.11 0.00 0.50 0.00 0.00 46.19 43.34 3mj2 s LEU 421 CO 0.23 -1.19 1.46 1.88 -1.32 0.00 0.00 176.35 177.41 3mj2 h TYR 422 N 9.22 0.14 0.00 5.38 0.99 -0.83 -3.45 116.97 128.42 3mj2 h TYR 422 Ca -0.24 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.42 3mj2 h TYR 422 Cb 1.07 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.78 3mj2 h TYR 422 CO 0.93 0.83 0.00 0.41 -0.00 0.00 0.00 178.16 180.33 3mj2 n GLY 423 N 0.67 0.37 3.29 3.88 0.00 -1.16 -4.99 105.19 107.24 3mj2 n GLY 423 Ca -0.02 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 3mj2 n GLY 423 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mj2 s VAL 424 N -2.00 2.29 -0.51 1.61 1.01 -1.26 -1.06 120.40 120.47 3mj2 s VAL 424 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 3mj2 s VAL 424 Cb 0.00 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.60 3mj2 s VAL 424 CO 0.00 0.56 0.50 0.00 0.00 0.00 0.00 175.10 176.17 3mj2 n LEU 426 N 5.52 0.00 -1.49 0.00 4.77 -1.26 -1.67 117.00 122.86 3mj2 n LEU 426 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3mj2 n LEU 426 Cb 0.43 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3mj2 n LEU 426 CO 0.52 0.18 0.80 1.21 -1.33 0.00 0.00 177.39 178.76 3mj2 n GLU 427 N -2.42 0.86 -3.54 3.23 2.13 -1.26 -4.72 120.64 114.91 3mj2 n GLU 427 Ca -0.14 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.58 3mj2 n GLU 427 Cb 0.77 -1.07 -0.04 0.00 0.27 0.00 0.00 31.44 31.37 3mj2 n GLU 427 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 3mj2 s GLN 428 N 0.27 0.70 -0.14 5.31 -2.07 -1.26 -4.89 119.66 117.58 3mj2 s GLN 428 Ca 0.00 -0.06 0.01 0.00 -1.82 0.00 0.00 55.36 53.49 3mj2 s GLN 428 Cb 0.00 0.33 -0.00 0.00 -1.09 0.00 0.00 33.01 32.24 3mj2 s GLN 428 CO 0.00 -0.27 -0.17 0.00 -1.32 0.00 0.00 175.29 173.53 3mj2 s ALA 429 N -2.07 2.43 0.50 2.60 0.00 -1.26 -3.18 121.76 120.78 3mj2 s ALA 429 Ca 0.01 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 50.77 3mj2 s ALA 429 Cb -0.01 -1.13 -0.08 0.00 0.00 0.00 0.00 23.12 21.91 3mj2 s ALA 429 CO -0.03 0.05 1.00 -1.25 0.00 0.00 0.00 175.76 175.53 3mj2 s PRO 430 N 0.69 3.88 0.58 0.00 0.04 -1.26 -5.15 135.00 133.77 3mj2 s PRO 430 Ca -0.08 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 61.90 3mj2 s PRO 430 Cb -0.16 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 3mj2 s PRO 430 CO 0.02 -0.34 1.06 0.96 0.04 0.00 0.00 177.00 178.74 3mj2 s ILE 431 N -2.39 3.79 0.07 0.56 -4.36 -1.19 -4.84 121.20 112.84 3mj2 s ILE 431 Ca 0.62 0.89 0.08 0.00 -0.26 0.00 0.00 60.65 61.98 3mj2 s ILE 431 Cb -0.12 -3.39 -0.03 0.00 1.25 0.00 0.00 42.46 40.17 3mj2 s ILE 431 CO 0.26 -0.46 -0.21 0.00 0.24 0.00 0.00 174.94 174.76 3mj2 s LEU 433 N -1.44 3.02 -0.24 0.00 1.43 -0.40 -0.26 118.68 120.79 3mj2 s LEU 433 Ca 0.08 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3mj2 s LEU 433 Cb -0.09 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3mj2 s LEU 433 CO 0.03 0.20 0.05 -0.69 0.23 0.00 0.00 176.35 176.16 3mj2 s VAL 434 N 0.18 4.19 0.20 -1.59 1.01 -0.23 -0.89 120.40 123.27 3mj2 s VAL 434 Ca -0.04 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 61.82 3mj2 s VAL 434 Cb -0.14 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3mj2 s VAL 434 CO 0.04 0.36 -0.18 -0.36 0.00 0.00 0.00 175.10 174.96 3mj2 s PHE 435 N 1.49 2.44 -0.01 5.22 0.40 0.65 -0.08 117.98 128.09 3mj2 s PHE 435 Ca 0.06 -0.30 -0.37 0.00 -0.60 0.00 0.00 56.93 55.72 3mj2 s PHE 435 Cb -0.15 -1.18 -0.15 0.00 0.51 0.00 0.00 43.02 42.04 3mj2 s PHE 435 CO 0.03 0.52 1.54 -1.91 0.70 0.00 0.00 175.22 176.10 3mj2 n GLU 436 N 0.08 1.43 -2.50 0.44 2.13 -0.63 -1.42 120.64 120.17 3mj2 n GLU 436 Ca -0.11 0.52 -0.43 0.00 0.66 0.00 0.00 57.16 57.80 3mj2 n GLU 436 Cb 0.56 -2.21 -0.02 0.00 0.27 0.00 0.00 31.44 30.03 3mj2 n GLU 436 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3mj2 s PHE 437 N 1.70 2.97 -0.39 4.31 5.36 -1.26 -4.55 117.98 126.13 3mj2 s PHE 437 Ca 0.88 1.12 -0.15 0.00 -0.96 0.00 0.00 56.93 57.83 3mj2 s PHE 437 Cb -0.91 -3.50 0.01 0.00 -0.34 0.00 0.00 43.02 38.28 3mj2 s PHE 437 CO 0.50 -1.33 0.30 -1.64 -1.46 0.00 0.00 175.22 171.59 3mj2 s MET 438 N 3.50 3.16 0.57 10.12 -1.94 -1.26 -4.97 119.30 128.48 3mj2 s MET 438 Ca 0.52 -0.85 0.34 0.00 -1.71 0.00 0.00 55.69 53.98 3mj2 s MET 438 Cb -0.19 -3.92 1.71 0.00 2.01 0.00 0.00 34.83 34.44 3mj2 s MET 438 CO 0.13 -0.67 2.14 1.05 -0.01 0.00 0.00 175.02 177.67 3mj2 h GLU 439 N 8.59 0.00 -0.30 2.03 4.11 -1.83 -2.74 114.58 124.45 3mj2 h GLU 439 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3mj2 h GLU 439 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3mj2 h GLU 439 CO 0.71 0.06 0.00 0.72 0.07 0.00 0.00 179.01 180.56 3mj2 n HIS 440 N -3.37 0.60 -4.57 2.06 8.25 0.08 -5.02 115.22 113.25 3mj2 n HIS 440 Ca -0.02 -0.64 0.00 0.00 -0.26 0.00 0.00 57.72 56.81 3mj2 n HIS 440 Cb 0.20 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.18 3mj2 n HIS 440 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mj2 n GLY 441 N 0.10 0.32 3.77 -1.41 0.00 -1.03 -4.63 105.19 102.30 3mj2 n GLY 441 Ca 0.14 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 3mj2 n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mj2 h LEU 443 N 3.12 0.95 -0.40 0.00 5.85 -0.46 -1.06 115.31 123.31 3mj2 h LEU 443 Ca -0.47 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.23 3mj2 h LEU 443 Cb 1.21 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 3mj2 h LEU 443 CO 0.64 0.77 -0.16 0.77 -0.34 0.00 0.00 178.44 180.13 3mj2 h SER 444 N 1.05 -0.54 -0.49 1.25 4.64 -1.78 0.17 113.55 117.85 3mj2 h SER 444 Ca 0.27 0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.68 3mj2 h SER 444 Cb 0.04 0.31 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3mj2 h SER 444 CO -0.04 -0.19 0.12 0.44 -0.87 0.00 0.00 176.83 176.29 3mj2 h ASP 445 N -0.08 0.74 -0.53 4.97 3.32 -1.83 -2.94 116.42 120.07 3mj2 h ASP 445 Ca 0.20 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3mj2 h ASP 445 Cb 0.38 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3mj2 h ASP 445 CO -0.45 0.77 0.23 0.22 -1.72 0.00 0.00 179.24 178.29 3mj2 h TYR 446 N 0.66 0.79 -0.48 4.55 3.20 -0.49 -0.35 116.97 124.85 3mj2 h TYR 446 Ca 0.15 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3mj2 h TYR 446 Cb 0.32 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3mj2 h TYR 446 CO 0.02 0.64 0.32 -0.07 -1.64 0.00 0.00 178.16 177.43 3mj2 h LEU 447 N 0.71 0.55 -0.42 2.82 3.38 -0.69 -1.15 115.31 120.51 3mj2 h LEU 447 Ca 0.18 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3mj2 h LEU 447 Cb 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3mj2 h LEU 447 CO -0.02 0.40 -0.09 0.03 0.09 0.00 0.00 178.44 178.85 3mj2 h ARG 448 N 0.65 0.80 -0.44 1.13 3.08 -1.31 -0.72 114.38 117.56 3mj2 h ARG 448 Ca 0.17 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3mj2 h ARG 448 Cb -0.07 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3mj2 h ARG 448 CO -0.04 0.92 0.18 1.15 -1.07 0.00 0.00 179.97 181.12 3mj2 h THR 449 N 0.63 1.20 -0.45 2.04 2.02 -0.95 -3.07 112.91 114.32 3mj2 h THR 449 Ca 0.11 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3mj2 h THR 449 Cb 0.62 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3mj2 h THR 449 CO 0.04 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.15 3mj2 n GLN 450 N -4.62 2.16 -1.61 6.66 1.13 -0.44 -4.97 117.38 115.68 3mj2 n GLN 450 Ca 0.01 -1.79 -0.51 0.00 -1.94 0.00 0.00 57.00 52.76 3mj2 n GLN 450 Cb 0.14 -1.41 -0.06 0.00 0.11 0.00 0.00 30.24 29.02 3mj2 n GLN 450 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 3mj2 n ARG 451 N 0.96 1.33 0.00 -1.09 0.63 -0.28 -1.31 116.66 116.90 3mj2 n ARG 451 Ca 0.17 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 3mj2 n ARG 451 Cb 0.44 -2.15 0.00 0.00 0.45 0.00 0.00 32.46 31.20 3mj2 n ARG 451 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3mj2 n GLY 452 N 2.79 1.60 0.54 5.14 0.00 -1.26 -4.91 105.19 109.08 3mj2 n GLY 452 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 3mj2 n GLY 452 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mj2 n LEU 453 N 0.00 2.08 -4.70 0.99 4.77 -0.43 -4.98 117.00 114.73 3mj2 n LEU 453 Ca 0.00 -0.75 -0.37 0.00 -0.03 0.00 0.00 56.01 54.85 3mj2 n LEU 453 Cb 0.00 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 3mj2 n LEU 453 CO 0.00 0.38 0.07 -0.36 -1.33 0.00 0.00 177.39 176.15 3mj2 s PHE 454 N -2.41 3.43 0.38 -1.77 0.40 -1.26 -5.08 117.98 111.66 3mj2 s PHE 454 Ca 0.20 0.66 -0.19 0.00 -0.60 0.00 0.00 56.93 57.00 3mj2 s PHE 454 Cb 0.18 -2.46 -0.10 0.00 0.51 0.00 0.00 43.02 41.15 3mj2 s PHE 454 CO 0.53 0.12 0.86 0.00 0.70 0.00 0.00 175.22 177.43 3mj2 s ALA 455 N 0.86 3.17 0.29 5.36 0.00 -1.26 -4.97 121.76 125.21 3mj2 s ALA 455 Ca 0.19 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.45 3mj2 s ALA 455 Cb -0.14 -2.99 0.66 0.00 0.00 0.00 0.00 23.12 20.65 3mj2 s ALA 455 CO 0.07 0.22 1.79 0.00 0.00 0.00 0.00 175.76 177.84 3mj2 h ALA 456 N 2.14 1.57 -0.92 0.00 0.00 -1.98 -1.66 119.26 118.40 3mj2 h ALA 456 Ca -0.48 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3mj2 h ALA 456 Cb 1.18 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3mj2 h ALA 456 CO 0.63 0.02 0.53 1.05 0.00 0.00 0.00 179.25 181.48 3mj2 h GLU 457 N 0.81 1.27 -0.41 0.00 4.11 -1.93 0.22 114.58 118.66 3mj2 h GLU 457 Ca 0.54 -0.13 -0.02 0.00 0.07 0.00 0.00 59.36 59.81 3mj2 h GLU 457 Cb 0.75 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3mj2 h GLU 457 CO -0.35 0.91 0.16 1.15 0.07 0.00 0.00 179.01 180.95 3mj2 h THR 458 N 1.28 1.20 -0.79 -1.06 2.02 -1.71 -0.29 112.91 113.56 3mj2 h THR 458 Ca 0.33 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 3mj2 h THR 458 Cb -0.01 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 3mj2 h THR 458 CO -0.06 0.22 0.34 -0.07 0.37 0.00 0.00 175.52 176.33 3mj2 h LEU 459 N 0.51 1.07 -0.50 2.58 3.38 -0.94 -1.73 115.31 119.68 3mj2 h LEU 459 Ca 0.13 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3mj2 h LEU 459 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3mj2 h LEU 459 CO -0.01 0.93 0.17 0.25 0.09 0.00 0.00 178.44 179.87 3mj2 h LEU 460 N 1.14 0.72 -1.16 1.67 5.85 -0.77 -2.64 115.31 120.13 3mj2 h LEU 460 Ca 0.27 -0.20 0.16 0.00 0.84 0.00 0.00 57.88 58.96 3mj2 h LEU 460 Cb 0.18 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 40.94 3mj2 h LEU 460 CO -0.03 0.72 0.61 1.23 -0.34 0.00 0.00 178.44 180.63 3mj2 h GLY 461 N 0.67 1.47 0.97 3.75 0.00 -0.50 0.22 103.07 109.66 3mj2 h GLY 461 Ca 0.16 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 3mj2 h GLY 461 CO -0.01 0.04 0.03 -0.33 0.00 0.00 0.00 176.54 176.27 3mj2 h MET 462 N 0.75 0.78 -0.71 4.80 2.86 -1.05 -1.19 114.93 121.16 3mj2 h MET 462 Ca 0.51 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.87 3mj2 h MET 462 Cb 0.80 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 3mj2 h MET 462 CO -0.28 0.83 0.26 0.00 1.06 0.00 0.00 176.91 178.77 3mj2 h LEU 464 N 1.03 0.29 -0.04 0.00 5.85 -0.82 -0.13 115.31 121.48 3mj2 h LEU 464 Ca 0.23 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3mj2 h LEU 464 Cb 0.25 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3mj2 h LEU 464 CO -0.01 0.21 -0.20 0.44 -0.34 0.00 0.00 178.44 178.54 3mj2 h ASP 465 N 0.39 -0.60 -0.56 1.25 3.32 -0.94 -0.54 116.42 118.74 3mj2 h ASP 465 Ca 0.16 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3mj2 h ASP 465 Cb 0.05 0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3mj2 h ASP 465 CO -0.10 -0.26 0.36 0.58 -1.72 0.00 0.00 179.24 178.10 3mj2 h VAL 466 N -0.30 1.15 -0.59 -1.35 2.07 -1.23 -2.24 116.25 113.75 3mj2 h VAL 466 Ca 0.07 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3mj2 h VAL 466 Cb 0.40 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3mj2 h VAL 466 CO -0.22 0.15 0.29 0.00 0.02 0.00 0.00 177.57 177.81 3mj2 h GLU 468 N 0.83 0.43 -0.48 0.00 5.08 -0.71 0.18 114.58 119.92 3mj2 h GLU 468 Ca 0.21 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3mj2 h GLU 468 Cb 0.08 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3mj2 h GLU 468 CO -0.03 0.52 0.28 0.78 -1.00 0.00 0.00 179.01 179.56 3mj2 h GLY 469 N 0.27 0.68 1.19 -3.84 0.00 -0.94 -2.27 103.07 98.16 3mj2 h GLY 469 Ca 0.09 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 3mj2 h GLY 469 CO 0.00 0.17 -0.31 -0.33 0.00 0.00 0.00 176.54 176.07 3mj2 h MET 470 N 0.56 0.90 -0.87 4.80 2.86 -0.84 -2.21 114.93 120.14 3mj2 h MET 470 Ca 0.20 -0.43 0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3mj2 h MET 470 Cb 0.04 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.61 3mj2 h MET 470 CO -0.10 1.08 0.50 0.00 1.06 0.00 0.00 176.91 179.46 3mj2 h ALA 471 N 0.88 1.26 -0.20 6.32 0.00 -0.51 0.13 119.26 127.14 3mj2 h ALA 471 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3mj2 h ALA 471 Cb 0.88 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3mj2 h ALA 471 CO 0.08 0.11 0.08 -0.92 0.00 0.00 0.00 179.25 178.60 3mj2 h TYR 472 N 0.82 0.31 -0.61 0.00 3.20 -1.16 -1.38 116.97 118.14 3mj2 h TYR 472 Ca 0.43 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.25 3mj2 h TYR 472 Cb 0.42 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 3mj2 h TYR 472 CO -0.05 0.35 0.28 -0.07 -1.64 0.00 0.00 178.16 177.03 3mj2 h LEU 473 N 0.18 0.81 -0.49 2.82 3.38 -0.86 -0.80 115.31 120.33 3mj2 h LEU 473 Ca 0.07 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3mj2 h LEU 473 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3mj2 h LEU 473 CO -0.01 0.72 0.33 -0.08 0.09 0.00 0.00 178.44 179.49 3mj2 h GLU 474 N 0.84 0.65 -0.84 1.13 4.81 -0.69 0.58 114.58 121.05 3mj2 h GLU 474 Ca 0.21 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3mj2 h GLU 474 Cb 0.13 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 3mj2 h GLU 474 CO -0.02 0.43 0.55 1.49 -0.73 0.00 0.00 179.01 180.72 3mj2 h GLU 475 N 0.67 1.10 -0.32 1.92 4.22 -0.99 -2.08 114.58 119.10 3mj2 h GLU 475 Ca 0.18 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.55 3mj2 h GLU 475 Cb -0.07 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.93 3mj2 h GLU 475 CO -0.04 0.73 0.00 0.00 -2.18 0.00 0.00 179.01 177.52 3mj2 n ALA 476 N -2.41 2.52 -3.68 2.92 0.00 -0.33 -4.91 120.51 114.63 3mj2 n ALA 476 Ca 0.09 -0.45 -0.23 0.00 0.00 0.00 0.00 53.44 52.86 3mj2 n ALA 476 Cb 0.03 -0.99 0.05 0.00 0.00 0.00 0.00 19.45 18.54 3mj2 n ALA 476 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mj2 n SER 477 N 0.21 -3.00 -4.11 0.00 7.64 -0.75 -5.00 113.62 108.60 3mj2 n SER 477 Ca 0.08 -0.72 -0.31 0.00 1.01 0.00 0.00 58.87 58.93 3mj2 n SER 477 Cb 0.25 -4.40 -0.16 0.00 -1.01 0.00 0.00 64.21 58.88 3mj2 n SER 477 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mj2 s VAL 478 N -3.46 1.85 -0.15 0.44 1.01 0.12 -5.03 120.40 115.17 3mj2 s VAL 478 Ca 0.24 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.24 3mj2 s VAL 478 Cb -0.12 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3mj2 s VAL 478 CO 0.79 0.51 0.33 -0.63 0.00 0.00 0.00 175.10 176.09 3mj2 s ILE 479 N 1.02 5.28 0.01 2.22 1.01 -1.26 -4.07 121.20 125.41 3mj2 s ILE 479 Ca -0.04 0.63 -0.25 0.00 0.00 0.00 0.00 60.65 60.99 3mj2 s ILE 479 Cb -0.15 -3.67 -0.17 0.00 0.01 0.00 0.00 42.46 38.48 3mj2 s ILE 479 CO -0.05 0.38 1.28 -0.74 0.00 0.00 0.00 174.94 175.81 3mj2 h HIS 480 N 6.68 -0.29 0.00 3.97 -0.00 -1.93 -3.24 115.15 120.35 3mj2 h HIS 480 Ca -0.41 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 3mj2 h HIS 480 Cb 1.17 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 3mj2 h HIS 480 CO 0.60 0.04 0.00 0.54 -0.00 0.00 0.00 177.93 179.12 3mj2 n ARG 481 N -5.08 0.00 -2.79 5.26 1.74 -1.26 -0.68 116.66 113.85 3mj2 n ARG 481 Ca -0.09 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.88 3mj2 n ARG 481 Cb 0.24 -0.54 0.04 0.00 -1.02 0.00 0.00 32.46 31.18 3mj2 n ARG 481 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mj2 n ASP 482 N 0.16 0.49 -4.67 0.55 2.03 -1.26 -5.06 116.55 108.79 3mj2 n ASP 482 Ca 0.00 -2.81 -0.43 0.00 0.52 0.00 0.00 54.79 52.08 3mj2 n ASP 482 Cb 0.00 -0.13 -0.02 0.00 -0.72 0.00 0.00 41.12 40.25 3mj2 n ASP 482 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3mj2 s LEU 483 N -2.92 4.20 0.12 -2.67 2.96 -1.26 -4.81 118.68 114.30 3mj2 s LEU 483 Ca 0.29 1.67 -0.25 0.00 -0.22 0.00 0.00 54.13 55.62 3mj2 s LEU 483 Cb 0.41 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.63 3mj2 s LEU 483 CO -0.01 -0.68 0.73 0.00 -1.32 0.00 0.00 176.35 175.07 3mj2 s ALA 484 N 2.98 -1.64 0.35 5.97 0.00 -1.26 -4.66 121.76 123.49 3mj2 s ALA 484 Ca 0.53 0.56 0.07 0.00 0.00 0.00 0.00 51.96 53.12 3mj2 s ALA 484 Cb -0.21 0.71 0.75 0.00 0.00 0.00 0.00 23.12 24.37 3mj2 s ALA 484 CO 0.16 -0.79 1.90 0.00 0.00 0.00 0.00 175.76 177.03 3mj2 h ALA 485 N 2.00 1.75 0.00 0.00 0.00 -1.93 -1.49 119.26 119.58 3mj2 h ALA 485 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3mj2 h ALA 485 Cb 1.28 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3mj2 h ALA 485 CO 0.33 0.07 0.00 0.07 0.00 0.00 0.00 179.25 179.72 3mj2 h ARG 486 N 0.76 0.00 -0.61 0.00 0.11 -1.95 -1.77 114.38 110.93 3mj2 h ARG 486 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 3mj2 h ARG 486 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 3mj2 h ARG 486 CO -0.17 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.99 3mj2 n ASN 487 N -3.08 3.64 -4.59 0.08 3.02 -0.57 -4.78 115.26 108.98 3mj2 n ASN 487 Ca -0.02 -2.00 -0.32 0.00 -0.03 0.00 0.00 54.58 52.21 3mj2 n ASN 487 Cb 0.13 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 38.79 3mj2 n ASN 487 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mj2 s LEU 489 N -1.47 2.65 -0.15 0.00 1.43 0.03 -0.03 118.68 121.14 3mj2 s LEU 489 Ca 0.17 -0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 3mj2 s LEU 489 Cb -0.11 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 3mj2 s LEU 489 CO 0.08 0.08 -0.10 -0.69 0.23 0.00 0.00 176.35 175.95 3mj2 s VAL 490 N -2.00 3.22 0.00 -1.59 1.01 0.10 -1.34 120.40 119.80 3mj2 s VAL 490 Ca 0.25 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3mj2 s VAL 490 Cb -0.07 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3mj2 s VAL 490 CO 0.13 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.34 3mj2 n GLY 491 N 3.81 4.89 3.73 4.51 0.00 -0.23 -0.74 105.19 121.15 3mj2 n GLY 491 Ca -0.18 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 3mj2 n GLY 491 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mj2 s GLU 492 N 3.17 4.22 -1.48 1.61 2.02 -1.26 -2.85 118.70 124.13 3mj2 s GLU 492 Ca 0.00 2.37 -0.07 0.00 0.02 0.00 0.00 54.97 57.29 3mj2 s GLU 492 Cb 0.00 -3.13 0.01 0.00 0.10 0.00 0.00 34.13 31.11 3mj2 s GLU 492 CO 0.00 -0.55 0.87 0.09 0.02 0.00 0.00 175.26 175.69 3mj2 n ASN 493 N 3.28 -6.27 -1.68 -0.19 4.13 -1.26 -2.55 115.26 110.73 3mj2 n ASN 493 Ca 0.11 -0.40 -0.21 0.00 1.68 0.00 0.00 54.58 55.76 3mj2 n ASN 493 Cb 0.39 -5.00 -0.08 0.00 -1.54 0.00 0.00 39.78 33.55 3mj2 n ASN 493 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mj2 n GLN 494 N -4.49 -1.46 -2.03 3.52 6.02 -1.13 -4.97 117.38 112.84 3mj2 n GLN 494 Ca -0.06 1.19 -0.41 0.00 -0.01 0.00 0.00 57.00 57.72 3mj2 n GLN 494 Cb 0.59 -5.60 -0.02 0.00 1.02 0.00 0.00 30.24 26.24 3mj2 n GLN 494 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3mj2 s VAL 495 N -2.80 2.55 -0.12 5.09 0.11 -1.06 -4.80 120.40 119.38 3mj2 s VAL 495 Ca 0.00 0.55 -0.03 0.00 -2.93 0.00 0.00 61.98 59.57 3mj2 s VAL 495 Cb 0.00 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.47 3mj2 s VAL 495 CO 0.00 0.13 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.26 3mj2 s ILE 496 N -1.05 4.16 -0.01 7.04 -1.09 -1.26 -1.07 121.20 127.92 3mj2 s ILE 496 Ca 0.51 -0.28 0.05 0.00 -2.23 0.00 0.00 60.65 58.70 3mj2 s ILE 496 Cb -0.41 -2.79 -0.01 0.00 -1.58 0.00 0.00 42.46 37.66 3mj2 s ILE 496 CO 0.55 0.54 -0.18 -0.54 -1.23 0.00 0.00 174.94 174.08 3mj2 s LYS 497 N -0.24 1.41 0.15 2.79 1.02 -0.45 -4.49 119.74 119.94 3mj2 s LYS 497 Ca 0.05 -0.64 -0.26 0.00 0.02 0.00 0.00 55.97 55.14 3mj2 s LYS 497 Cb -0.12 -1.37 -0.07 0.00 -0.52 0.00 0.00 37.83 35.74 3mj2 s LYS 497 CO 0.02 0.37 0.82 0.08 -0.92 0.00 0.00 175.35 175.72 3mj2 s VAL 498 N -0.43 4.40 0.25 3.17 1.01 0.32 -0.79 120.40 128.33 3mj2 s VAL 498 Ca 0.07 1.79 0.04 0.00 0.00 0.00 0.00 61.98 63.88 3mj2 s VAL 498 Cb -0.07 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 3mj2 s VAL 498 CO -0.01 0.47 -0.01 -0.94 0.00 0.00 0.00 175.10 174.61 3mj2 s SER 499 N -0.85 2.07 -1.65 3.32 1.04 -0.62 -1.10 113.70 115.92 3mj2 s SER 499 Ca 0.38 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.59 3mj2 s SER 499 Cb -0.23 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.85 3mj2 s SER 499 CO 0.27 -0.48 0.00 0.47 0.98 0.00 0.00 173.24 174.48 3mj2 n ASP 500 N -0.47 -5.41 -4.72 7.02 8.00 -1.26 -4.81 116.55 114.89 3mj2 n ASP 500 Ca -0.05 0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 3mj2 n ASP 500 Cb 0.64 -4.55 -0.03 0.00 -0.02 0.00 0.00 41.12 37.17 3mj2 n ASP 500 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3mj2 n PHE 501 N -3.73 2.78 -0.89 1.24 1.16 -1.26 -2.61 117.46 114.15 3mj2 n PHE 501 Ca -0.22 0.07 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 3mj2 n PHE 501 Cb 0.67 -2.66 0.00 0.00 -1.61 0.00 0.00 39.48 35.87 3mj2 n PHE 501 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3mj2 n GLY 502 N 3.66 0.66 0.20 4.97 0.00 0.14 -4.90 105.19 109.92 3mj2 n GLY 502 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 3mj2 n GLY 502 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3mj2 h MET 503 N 1.91 0.00 0.00 1.61 2.86 -1.70 -2.85 114.93 116.75 3mj2 h MET 503 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3mj2 h MET 503 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 3mj2 h MET 503 CO 0.00 0.33 0.00 0.25 1.06 0.00 0.00 176.91 178.55 3mj2 n THR 504 N -3.52 1.00 0.27 2.22 -2.24 -1.26 -1.10 114.28 109.65 3mj2 n THR 504 Ca -0.00 0.36 0.12 0.00 -2.27 0.00 0.00 64.05 62.26 3mj2 n THR 504 Cb 0.48 -1.28 0.75 0.00 -2.10 0.00 0.00 70.33 68.18 3mj2 n THR 504 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3mj2 h ARG 505 N 0.00 0.00 -0.02 -0.78 3.08 -1.88 -3.10 114.38 111.68 3mj2 h ARG 505 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mj2 h ARG 505 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3mj2 h ARG 505 CO 0.00 0.09 -0.19 1.19 -1.07 0.00 0.00 179.97 179.98 3mj2 n PHE 506 N -3.83 0.00 -2.42 3.04 3.72 -0.25 -4.94 117.46 112.77 3mj2 n PHE 506 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 3mj2 n PHE 506 Cb 0.19 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 3mj2 n PHE 506 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3mj2 s VAL 507 N -1.79 4.04 -0.21 -4.37 1.01 -1.17 0.12 120.40 118.02 3mj2 s VAL 507 Ca 0.18 1.46 0.22 0.00 0.00 0.00 0.00 61.98 63.84 3mj2 s VAL 507 Cb 0.15 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 3mj2 s VAL 507 CO 0.34 0.11 1.00 0.18 0.00 0.00 0.00 175.10 176.73 3mj2 n LEU 508 N 3.96 0.82 -4.59 3.92 7.99 -0.68 -4.79 117.00 123.64 3mj2 n LEU 508 Ca 0.09 0.32 -0.42 0.00 -0.01 0.00 0.00 56.01 56.00 3mj2 n LEU 508 Cb 0.46 -0.04 -0.03 0.00 -0.11 0.00 0.00 43.42 43.70 3mj2 n LEU 508 CO 0.55 -0.14 1.64 -0.62 -1.51 0.00 0.00 177.39 177.31 3mj2 s ASP 509 N -5.38 5.59 0.29 -1.43 3.68 -1.26 -4.84 116.67 113.32 3mj2 s ASP 509 Ca -0.01 1.25 0.24 0.00 2.13 0.00 0.00 52.55 56.16 3mj2 s ASP 509 Cb 0.10 -2.52 1.03 0.00 -1.45 0.00 0.00 42.92 40.07 3mj2 s ASP 509 CO 0.80 -1.96 1.73 0.44 0.13 0.00 0.00 175.17 176.31 3mj2 h ASP 510 N 14.17 0.00 0.56 -0.34 5.19 -1.99 -2.50 116.42 131.50 3mj2 h ASP 510 Ca -0.33 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 55.96 3mj2 h ASP 510 Cb 1.19 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.68 3mj2 h ASP 510 CO 1.06 0.00 -0.57 1.56 -3.12 0.00 0.00 179.24 178.17 3mj2 h GLN 511 N 0.00 0.01 0.11 3.56 1.08 -1.90 -2.48 115.11 115.49 3mj2 h GLN 511 Ca 0.00 -0.01 -0.18 0.00 -1.45 0.00 0.00 58.65 57.01 3mj2 h GLN 511 Cb 0.36 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.80 3mj2 h GLN 511 CO 0.00 0.58 -0.83 1.88 -0.95 0.00 0.00 178.83 179.51 3mj2 h TYR 512 N 0.01 0.42 0.14 2.96 0.05 -1.68 0.17 116.97 119.04 3mj2 h TYR 512 Ca -0.01 -0.31 -0.22 0.00 0.05 0.00 0.00 58.73 58.24 3mj2 h TYR 512 Cb 1.01 -0.02 0.02 0.00 1.01 0.00 0.00 36.73 38.76 3mj2 h TYR 512 CO 0.00 1.32 -0.96 1.79 -1.05 0.00 0.00 178.16 179.26 3mj2 h THR 513 N -0.48 1.43 -3.27 -2.88 1.35 -1.57 -3.38 112.91 104.12 3mj2 h THR 513 Ca -0.16 -2.49 -0.53 0.00 -0.55 0.00 0.00 66.41 62.68 3mj2 h THR 513 Cb 1.56 3.02 0.01 0.00 -1.73 0.00 0.00 68.15 71.00 3mj2 h THR 513 CO 0.10 0.72 0.56 -0.55 -0.25 0.00 0.00 175.52 176.10 3mj2 s SER 514 N -7.12 7.08 0.50 5.36 0.15 -0.94 -4.90 113.70 113.85 3mj2 s SER 514 Ca -0.12 2.08 0.27 0.00 0.70 0.00 0.00 55.95 58.87 3mj2 s SER 514 Cb 0.02 -2.59 1.46 0.00 -1.71 0.00 0.00 66.02 63.21 3mj2 s SER 514 CO 0.87 -0.44 1.80 0.77 1.20 0.00 0.00 173.24 177.43 3mj2 h SER 515 N 6.37 0.00 -0.00 5.45 4.64 -1.89 0.24 113.55 128.36 3mj2 h SER 515 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3mj2 h SER 515 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3mj2 h SER 515 CO 0.79 0.00 -0.87 0.35 -0.87 0.00 0.00 176.83 176.23 3mj2 n THR 516 N -2.57 0.00 -2.00 2.95 -2.24 -1.26 -4.94 114.28 104.22 3mj2 n THR 516 Ca -0.02 -0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.34 3mj2 n THR 516 Cb 0.23 1.03 0.04 0.00 -2.10 0.00 0.00 70.33 69.53 3mj2 n THR 516 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3mj2 s GLY 517 N -2.81 2.74 0.54 3.38 0.00 0.85 -4.93 107.32 107.08 3mj2 s GLY 517 Ca 0.09 1.02 0.32 0.00 0.00 0.00 0.00 44.72 46.15 3mj2 s GLY 517 CO 0.78 1.41 2.00 -0.91 0.00 0.00 0.00 173.10 176.38 3mj2 h THR 518 N 0.86 0.17 -0.53 0.90 1.35 -1.85 -2.66 112.91 111.15 3mj2 h THR 518 Ca -0.50 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3mj2 h THR 518 Cb 1.30 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 3mj2 h THR 518 CO 0.55 0.06 0.00 0.29 -0.25 0.00 0.00 175.52 176.17 3mj2 n LYS 519 N -3.21 2.64 -2.01 4.72 5.02 -0.12 -5.00 118.16 120.21 3mj2 n LYS 519 Ca -0.00 -2.35 -0.42 0.00 -2.02 0.00 0.00 58.31 53.52 3mj2 n LYS 519 Cb 0.30 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 3mj2 n LYS 519 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3mj2 s PHE 520 N -1.08 3.11 -0.90 2.13 2.19 -0.24 -4.50 117.98 118.69 3mj2 s PHE 520 Ca 0.38 0.77 -0.12 0.00 0.33 0.00 0.00 56.93 58.29 3mj2 s PHE 520 Cb 0.20 -3.85 -0.09 0.00 -1.31 0.00 0.00 43.02 37.98 3mj2 s PHE 520 CO 0.27 -3.04 2.06 -0.35 1.83 0.00 0.00 175.22 175.99 3mj2 n PRO 521 N 3.75 1.94 -0.10 10.12 -0.04 -1.26 -4.70 135.00 144.72 3mj2 n PRO 521 Ca 0.12 -1.66 0.12 0.00 -0.04 0.00 0.00 63.50 62.05 3mj2 n PRO 521 Cb 0.40 -2.66 0.50 0.00 -0.04 0.00 0.00 33.50 31.70 3mj2 n PRO 521 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3mj2 h VAL 522 N 3.82 0.88 0.00 0.52 3.04 -1.95 -2.65 116.25 119.92 3mj2 h VAL 522 Ca 0.48 -0.14 -0.00 0.00 -1.01 0.00 0.00 66.70 66.02 3mj2 h VAL 522 Cb 0.36 0.43 -0.00 0.00 -2.01 0.00 0.00 31.29 30.08 3mj2 h VAL 522 CO 1.66 0.07 -0.02 0.11 -1.01 0.00 0.00 177.57 178.38 3mj2 h LYS 523 N 0.41 0.00 -0.10 4.17 1.57 -1.96 -1.45 116.57 119.21 3mj2 h LYS 523 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3mj2 h LYS 523 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3mj2 h LYS 523 CO -0.08 0.02 0.00 0.91 -0.57 0.00 0.00 179.45 179.73 3mj2 n TRP 524 N -3.18 0.12 -3.22 -1.35 8.01 -1.01 -4.97 117.44 111.84 3mj2 n TRP 524 Ca -0.01 -0.15 -0.39 0.00 -1.31 0.00 0.00 57.50 55.64 3mj2 n TRP 524 Cb 0.19 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.31 29.43 3mj2 n TRP 524 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3mj2 s ALA 525 N -0.85 3.43 0.76 6.99 0.00 -0.55 -3.56 121.76 127.97 3mj2 s ALA 525 Ca 0.14 -0.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 3mj2 s ALA 525 Cb 0.09 -2.75 0.05 0.00 0.00 0.00 0.00 23.12 20.50 3mj2 s ALA 525 CO 0.12 -0.02 1.14 -1.54 0.00 0.00 0.00 175.76 175.46 3mj2 s SER 526 N 0.64 4.30 0.30 0.00 1.04 -1.26 -4.78 113.70 113.93 3mj2 s SER 526 Ca 0.30 2.08 0.02 0.00 0.48 0.00 0.00 55.95 58.83 3mj2 s SER 526 Cb -0.16 -2.56 0.57 0.00 0.10 0.00 0.00 66.02 63.97 3mj2 s SER 526 CO 0.13 -2.18 1.87 -0.65 0.98 0.00 0.00 173.24 173.39 3mj2 h PRO 527 N -0.72 0.96 0.00 4.02 0.11 -1.93 -1.22 132.00 133.21 3mj2 h PRO 527 Ca -0.45 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3mj2 h PRO 527 Cb 1.26 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3mj2 h PRO 527 CO 0.50 0.63 -0.25 1.05 -0.21 0.00 0.00 178.00 179.72 3mj2 h GLU 528 N 0.99 0.00 0.16 1.05 9.09 -1.89 -2.31 114.58 121.66 3mj2 h GLU 528 Ca 0.45 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.85 3mj2 h GLU 528 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3mj2 h GLU 528 CO -0.21 0.25 -0.07 0.28 0.05 0.00 0.00 179.01 179.31 3mj2 h VAL 529 N 0.00 0.77 0.00 -1.06 2.07 -1.41 -1.61 116.25 115.01 3mj2 h VAL 529 Ca -0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3mj2 h VAL 529 Cb 0.74 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3mj2 h VAL 529 CO 0.03 0.21 0.00 2.19 0.02 0.00 0.00 177.57 180.02 3mj2 h PHE 530 N -0.91 0.00 0.03 1.57 -0.00 -1.40 0.20 116.94 116.44 3mj2 h PHE 530 Ca -0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 57.97 57.59 3mj2 h PHE 530 Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 36.40 3mj2 h PHE 530 CO 0.08 0.00 -2.18 0.43 -0.00 0.00 0.00 178.31 176.64 3mj2 n SER 531 N -2.99 1.27 0.00 -0.68 7.64 -0.87 -4.79 113.62 113.20 3mj2 n SER 531 Ca 0.00 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3mj2 n SER 531 Cb 0.28 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3mj2 n SER 531 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3mj2 n PHE 532 N -3.14 0.00 -3.56 1.43 3.01 -0.65 -5.03 117.46 109.53 3mj2 n PHE 532 Ca -0.33 -0.01 -0.26 0.00 1.01 0.00 0.00 57.45 57.86 3mj2 n PHE 532 Cb 1.06 -0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.57 3mj2 n PHE 532 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3mj2 n SER 533 N -0.01 -5.42 -4.39 4.37 7.64 0.70 -4.92 113.62 111.59 3mj2 n SER 533 Ca 0.00 -0.55 -0.45 0.00 1.01 0.00 0.00 58.87 58.87 3mj2 n SER 533 Cb 0.32 -4.33 -0.02 0.00 -1.01 0.00 0.00 64.21 59.16 3mj2 n SER 533 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3mj2 s ARG 534 N -6.26 3.62 0.27 1.43 3.52 -0.92 -4.94 118.95 115.67 3mj2 s ARG 534 Ca 0.53 -2.15 -0.14 0.00 -0.13 0.00 0.00 55.73 53.85 3mj2 s ARG 534 Cb -0.25 -4.67 -0.08 0.00 -1.56 0.00 0.00 34.95 28.38 3mj2 s ARG 534 CO 0.66 -1.52 0.66 0.71 -0.81 0.00 0.00 175.30 174.99 3mj2 s TYR 535 N 1.35 3.43 0.23 5.12 1.51 -1.26 -4.19 117.35 123.55 3mj2 s TYR 535 Ca 0.25 1.11 -0.22 0.00 -1.01 0.00 0.00 57.07 57.21 3mj2 s TYR 535 Cb -0.07 -2.44 0.05 0.00 -0.11 0.00 0.00 41.96 39.39 3mj2 s TYR 535 CO -0.09 0.20 0.89 -1.54 -1.11 0.00 0.00 175.55 173.89 3mj2 s SER 536 N -2.20 -0.13 0.55 2.29 1.04 -1.26 -4.95 113.70 109.04 3mj2 s SER 536 Ca 0.50 -0.65 0.23 0.00 0.48 0.00 0.00 55.95 56.51 3mj2 s SER 536 Cb -0.11 0.62 1.49 0.00 0.10 0.00 0.00 66.02 68.12 3mj2 s SER 536 CO 0.19 -1.18 2.15 0.28 0.98 0.00 0.00 173.24 175.66 3mj2 h SER 537 N 2.00 0.00 0.92 7.02 0.02 -1.98 -1.76 113.55 119.77 3mj2 h SER 537 Ca -0.25 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 3mj2 h SER 537 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 3mj2 h SER 537 CO 0.30 0.00 -0.42 0.11 -1.14 0.00 0.00 176.83 175.67 3mj2 h LYS 538 N 0.00 0.00 0.01 3.45 1.79 -1.92 -1.09 116.57 118.81 3mj2 h LYS 538 Ca 0.04 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.32 3mj2 h LYS 538 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 3mj2 h LYS 538 CO -0.00 0.42 -0.90 0.66 -1.08 0.00 0.00 179.45 178.56 3mj2 h SER 539 N 0.00 0.19 -0.10 0.86 4.64 -1.68 -2.75 113.55 114.71 3mj2 h SER 539 Ca -0.00 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.11 3mj2 h SER 539 Cb 1.00 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3mj2 h SER 539 CO 0.05 0.99 -0.06 0.44 -0.87 0.00 0.00 176.83 177.38 3mj2 h ASP 540 N 0.07 0.34 -0.52 4.97 3.32 -1.18 -2.66 116.42 120.77 3mj2 h ASP 540 Ca -0.04 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3mj2 h ASP 540 Cb 1.54 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 3mj2 h ASP 540 CO 0.13 0.45 0.26 0.58 -1.72 0.00 0.00 179.24 178.94 3mj2 h VAL 541 N 0.35 1.19 -0.11 -1.35 2.07 -1.01 0.21 116.25 117.60 3mj2 h VAL 541 Ca 0.07 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3mj2 h VAL 541 Cb 0.34 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3mj2 h VAL 541 CO 0.02 0.21 -0.15 -0.25 0.02 0.00 0.00 177.57 177.42 3mj2 h TRP 542 N 0.69 -0.37 -0.77 1.57 2.91 -1.32 -1.09 115.95 117.56 3mj2 h TRP 542 Ca 0.18 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.31 3mj2 h TRP 542 Cb 0.10 0.18 -0.07 0.00 -0.51 0.00 0.00 29.16 28.87 3mj2 h TRP 542 CO -0.01 -0.21 0.42 0.77 -1.03 0.00 0.00 178.44 178.38 3mj2 h SER 543 N -0.19 0.58 -0.94 2.65 0.02 -1.13 -1.58 113.55 112.98 3mj2 h SER 543 Ca 0.09 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3mj2 h SER 543 Cb 0.31 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 3mj2 h SER 543 CO -0.22 0.34 0.62 0.15 -1.14 0.00 0.00 176.83 176.57 3mj2 h PHE 544 N 0.71 1.17 -0.59 3.45 3.57 0.02 0.95 116.94 126.22 3mj2 h PHE 544 Ca 0.37 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.91 3mj2 h PHE 544 Cb 0.35 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3mj2 h PHE 544 CO -0.08 0.72 0.38 0.78 -2.23 0.00 0.00 178.31 177.88 3mj2 h GLY 545 N 1.25 0.84 1.01 2.40 0.00 -0.25 0.11 103.07 108.43 3mj2 h GLY 545 Ca 0.35 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 3mj2 h GLY 545 CO -0.09 0.28 0.06 -2.08 0.00 0.00 0.00 176.54 174.71 3mj2 h VAL 546 N 0.77 1.26 -0.91 4.60 2.07 -0.83 -1.91 116.25 121.30 3mj2 h VAL 546 Ca 0.23 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.80 3mj2 h VAL 546 Cb -0.05 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 3mj2 h VAL 546 CO -0.07 0.36 0.58 0.25 0.02 0.00 0.00 177.57 178.71 3mj2 h LEU 547 N 0.78 0.94 -0.56 2.57 6.46 -0.50 -0.28 115.31 124.72 3mj2 h LEU 547 Ca 0.16 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 3mj2 h LEU 547 Cb 0.44 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 3mj2 h LEU 547 CO 0.01 0.63 0.33 0.24 -0.62 0.00 0.00 178.44 179.03 3mj2 h MET 548 N 1.09 0.63 -0.41 1.25 2.86 -0.47 -0.07 114.93 119.82 3mj2 h MET 548 Ca 0.38 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 58.02 3mj2 h MET 548 Cb 0.09 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 3mj2 h MET 548 CO -0.15 0.42 0.17 2.35 1.06 0.00 0.00 176.91 180.76 3mj2 h TRP 549 N 0.65 0.31 -0.39 -0.22 7.01 -0.69 -0.39 115.95 122.23 3mj2 h TRP 549 Ca 0.23 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.29 3mj2 h TRP 549 Cb 0.05 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 3mj2 h TRP 549 CO -0.07 0.14 0.15 0.93 -2.79 0.00 0.00 178.44 176.81 3mj2 h GLU 550 N 0.35 0.32 0.49 2.65 5.08 -0.50 0.13 114.58 123.10 3mj2 h GLU 550 Ca 0.18 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3mj2 h GLU 550 Cb 0.13 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3mj2 h GLU 550 CO -0.16 0.21 -0.24 0.28 -1.00 0.00 0.00 179.01 178.10 3mj2 h VAL 551 N 0.32 0.50 0.00 3.13 2.07 -0.70 0.23 116.25 121.81 3mj2 h VAL 551 Ca 0.18 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3mj2 h VAL 551 Cb 0.14 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3mj2 h VAL 551 CO -0.16 0.03 -0.09 -0.26 0.02 0.00 0.00 177.57 177.10 3mj2 h PHE 552 N -0.75 0.00 -0.01 1.57 -1.00 -1.02 -0.71 116.94 115.02 3mj2 h PHE 552 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 3mj2 h PHE 552 Cb 0.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.11 3mj2 h PHE 552 CO -0.02 0.09 -0.02 0.43 -1.61 0.00 0.00 178.31 177.18 3mj2 n SER 553 N -3.37 0.76 -3.61 2.17 7.64 0.46 -4.29 113.62 113.37 3mj2 n SER 553 Ca -0.01 -1.16 -0.22 0.00 1.01 0.00 0.00 58.87 58.48 3mj2 n SER 553 Cb 0.27 -0.01 0.07 0.00 -1.01 0.00 0.00 64.21 63.53 3mj2 n SER 553 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3mj2 n GLU 554 N -0.46 -6.70 -0.56 1.43 1.02 -0.27 -3.47 120.64 111.63 3mj2 n GLU 554 Ca 0.20 0.77 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 3mj2 n GLU 554 Cb 0.25 -5.71 0.00 0.00 -0.02 0.00 0.00 31.44 25.96 3mj2 n GLU 554 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mj2 n GLY 555 N -1.62 0.67 3.74 0.62 0.00 0.74 -3.74 105.19 105.61 3mj2 n GLY 555 Ca -0.13 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 3mj2 n GLY 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mj2 s LYS 556 N -0.90 2.58 -0.23 1.61 1.02 -1.23 -4.82 119.74 117.78 3mj2 s LYS 556 Ca 0.00 1.82 -0.26 0.00 0.02 0.00 0.00 55.97 57.55 3mj2 s LYS 556 Cb 0.00 -1.88 -0.00 0.00 -0.52 0.00 0.00 37.83 35.43 3mj2 s LYS 556 CO 0.00 -1.51 0.88 0.42 -0.92 0.00 0.00 175.35 174.22 3mj2 s ILE 557 N -1.75 4.81 0.58 2.17 1.01 -1.26 -4.74 121.20 122.01 3mj2 s ILE 557 Ca 0.77 1.69 -0.20 0.00 0.00 0.00 0.00 60.65 62.90 3mj2 s ILE 557 Cb -0.31 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 3mj2 s ILE 557 CO 0.39 -0.08 1.28 -0.81 0.00 0.00 0.00 174.94 175.72 3mj2 n PRO 558 N 5.93 1.42 -3.29 2.79 -0.04 -1.26 -3.90 135.00 136.66 3mj2 n PRO 558 Ca 0.07 0.53 -0.13 0.00 -0.04 0.00 0.00 63.50 63.93 3mj2 n PRO 558 Cb 0.47 -2.49 0.04 0.00 -0.04 0.00 0.00 33.50 31.48 3mj2 n PRO 558 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mj2 n TYR 559 N -1.34 -2.53 -1.33 0.54 4.02 -1.26 -3.66 117.16 111.61 3mj2 n TYR 559 Ca 0.12 0.88 -0.01 0.00 -0.01 0.00 0.00 57.90 58.89 3mj2 n TYR 559 Cb 0.46 -3.95 -0.00 0.00 -0.02 0.00 0.00 39.34 35.83 3mj2 n TYR 559 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3mj2 n GLU 560 N -2.88 -1.00 -1.86 -0.72 1.02 -1.25 0.18 120.64 114.13 3mj2 n GLU 560 Ca -0.06 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 3mj2 n GLU 560 Cb 0.58 -0.09 -0.03 0.00 -0.02 0.00 0.00 31.44 31.88 3mj2 n GLU 560 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3mj2 n ASN 561 N 0.56 -3.27 -4.45 1.62 5.15 -1.24 -4.96 115.26 108.67 3mj2 n ASN 561 Ca 0.00 0.25 -0.35 0.00 -0.60 0.00 0.00 54.58 53.88 3mj2 n ASN 561 Cb 0.01 -2.96 0.09 0.00 -0.53 0.00 0.00 39.78 36.39 3mj2 n ASN 561 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3mj2 n ARG 562 N -2.23 0.09 -1.25 1.20 1.74 0.49 -4.94 116.66 111.76 3mj2 n ARG 562 Ca -0.12 0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.71 3mj2 n ARG 562 Cb 0.48 -1.86 0.10 0.00 -1.02 0.00 0.00 32.46 30.16 3mj2 n ARG 562 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mj2 s SER 563 N -1.69 4.08 0.22 0.55 1.04 -1.26 -4.76 113.70 111.88 3mj2 s SER 563 Ca 0.62 2.13 -0.10 0.00 0.48 0.00 0.00 55.95 59.09 3mj2 s SER 563 Cb -0.29 -2.56 0.34 0.00 0.10 0.00 0.00 66.02 63.61 3mj2 s SER 563 CO 0.61 -2.33 1.65 0.78 0.98 0.00 0.00 173.24 174.94 3mj2 h ASN 564 N -0.85 -0.31 -0.66 7.02 4.21 -1.96 -0.92 115.58 122.11 3mj2 h ASN 564 Ca -0.45 0.17 -0.07 0.00 1.21 0.00 0.00 56.30 57.16 3mj2 h ASN 564 Cb 1.26 0.30 -0.03 0.00 -1.12 0.00 0.00 38.32 38.74 3mj2 h ASN 564 CO 0.49 -0.14 0.16 0.77 -1.29 0.00 0.00 177.43 177.42 3mj2 h SER 565 N 0.11 1.02 -0.56 5.81 4.64 -1.99 -1.51 113.55 121.05 3mj2 h SER 565 Ca 0.35 -0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 3mj2 h SER 565 Cb 0.59 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3mj2 h SER 565 CO -0.58 0.98 -0.05 -0.33 -0.87 0.00 0.00 176.83 175.97 3mj2 h GLU 566 N 1.02 1.04 -0.19 4.77 5.08 -1.71 -1.17 114.58 123.42 3mj2 h GLU 566 Ca 0.21 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3mj2 h GLU 566 Cb 0.36 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3mj2 h GLU 566 CO 0.00 1.05 0.07 0.28 -1.00 0.00 0.00 179.01 179.40 3mj2 h VAL 567 N 0.94 1.18 -0.64 3.13 2.07 -1.00 0.24 116.25 122.16 3mj2 h VAL 567 Ca 0.16 -0.55 0.11 0.00 0.82 0.00 0.00 66.70 67.24 3mj2 h VAL 567 Cb 0.61 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.49 3mj2 h VAL 567 CO 0.04 0.17 0.20 0.58 0.02 0.00 0.00 177.57 178.58 3mj2 h VAL 568 N 0.14 0.68 -0.22 2.57 2.07 -1.13 -0.27 116.25 120.10 3mj2 h VAL 568 Ca 0.06 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3mj2 h VAL 568 Cb 0.21 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3mj2 h VAL 568 CO -0.00 0.06 0.06 -0.08 0.02 0.00 0.00 177.57 177.63 3mj2 h GLU 569 N 0.35 0.34 0.14 1.57 4.81 -0.95 0.36 114.58 121.20 3mj2 h GLU 569 Ca 0.34 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.51 3mj2 h GLU 569 Cb 0.48 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 3mj2 h GLU 569 CO -0.38 0.45 -0.40 -0.44 -0.73 0.00 0.00 179.01 177.52 3mj2 h ASP 570 N 0.17 -1.16 -0.47 1.04 3.45 0.09 -1.92 116.42 117.62 3mj2 h ASP 570 Ca 0.07 0.13 -0.05 0.00 0.43 0.00 0.00 57.03 57.60 3mj2 h ASP 570 Cb 0.26 0.43 -0.02 0.00 -0.56 0.00 0.00 39.33 39.44 3mj2 h ASP 570 CO -0.00 -0.48 0.08 0.40 -1.57 0.00 0.00 179.24 177.68 3mj2 h ILE 571 N -0.64 1.25 -0.59 0.35 1.08 -1.07 0.69 117.51 118.58 3mj2 h ILE 571 Ca 0.02 -0.90 0.07 0.00 -0.39 0.00 0.00 64.86 63.66 3mj2 h ILE 571 Cb 0.66 0.92 -0.04 0.00 -3.07 0.00 0.00 36.82 35.30 3mj2 h ILE 571 CO -0.22 0.32 0.39 0.28 -0.69 0.00 0.00 178.15 178.23 3mj2 h SER 572 N 0.65 0.46 0.48 1.72 0.02 -0.79 -1.92 113.55 114.18 3mj2 h SER 572 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3mj2 h SER 572 Cb 0.38 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3mj2 h SER 572 CO 0.01 0.30 -0.52 1.07 -1.14 0.00 0.00 176.83 176.54 3mj2 n THR 573 N -4.48 0.00 0.00 -2.27 5.66 -0.73 -4.97 114.28 107.49 3mj2 n THR 573 Ca 0.09 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 3mj2 n THR 573 Cb 0.27 0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 3mj2 n THR 573 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3mj2 n GLY 574 N 1.50 0.82 3.77 1.09 0.00 -0.72 -5.09 105.19 106.56 3mj2 n GLY 574 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3mj2 n GLY 574 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mj2 s PHE 575 N -2.00 2.60 0.05 1.61 5.36 0.19 -4.97 117.98 120.82 3mj2 s PHE 575 Ca 0.00 1.27 0.03 0.00 -0.96 0.00 0.00 56.93 57.27 3mj2 s PHE 575 Cb 0.00 -3.89 -0.03 0.00 -0.34 0.00 0.00 43.02 38.77 3mj2 s PHE 575 CO 0.00 -2.72 -0.09 1.03 -1.46 0.00 0.00 175.22 171.98 3mj2 s ARG 576 N -2.27 0.59 0.30 10.12 1.81 -1.26 -4.33 118.95 123.91 3mj2 s ARG 576 Ca 0.57 -0.82 -0.29 0.00 -1.72 0.00 0.00 55.73 53.47 3mj2 s ARG 576 Cb -0.43 -0.37 -0.13 0.00 -0.45 0.00 0.00 34.95 33.58 3mj2 s ARG 576 CO 0.57 0.07 1.34 1.28 -0.68 0.00 0.00 175.30 177.87 3mj2 n LEU 577 N 1.35 3.42 -4.82 2.53 4.77 -1.26 -4.97 117.00 118.02 3mj2 n LEU 577 Ca -0.22 1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 56.64 3mj2 n LEU 577 Cb 0.55 -1.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.24 3mj2 n LEU 577 CO 0.21 -0.46 0.71 -0.31 -1.33 0.00 0.00 177.39 176.21 3mj2 s TYR 578 N -0.68 3.00 0.02 -1.77 1.51 -1.26 -4.99 117.35 113.18 3mj2 s TYR 578 Ca 0.60 1.29 -0.30 0.00 -1.01 0.00 0.00 57.07 57.65 3mj2 s TYR 578 Cb -0.59 -2.99 -0.05 0.00 -0.11 0.00 0.00 41.96 38.21 3mj2 s TYR 578 CO 0.57 -1.46 1.31 0.21 -1.11 0.00 0.00 175.55 175.08 3mj2 s LYS 579 N -5.10 4.34 0.58 -0.62 2.20 -1.26 -5.01 119.74 114.86 3mj2 s LYS 579 Ca 0.59 1.88 -0.19 0.00 -0.36 0.00 0.00 55.97 57.89 3mj2 s LYS 579 Cb -0.14 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 3mj2 s LYS 579 CO 0.55 -0.45 1.16 -2.14 -0.36 0.00 0.00 175.35 174.10 3mj2 s PRO 580 N 1.85 3.14 0.20 4.03 0.02 -1.26 -4.95 135.00 138.02 3mj2 s PRO 580 Ca 0.61 1.69 -0.12 0.00 0.02 0.00 0.00 61.00 63.21 3mj2 s PRO 580 Cb -0.30 -1.97 0.24 0.00 0.02 0.00 0.00 34.50 32.49 3mj2 s PRO 580 CO 0.27 -1.04 1.71 -0.09 -0.33 0.00 0.00 177.00 177.51 3mj2 h ARG 581 N 0.96 0.23 0.00 5.54 2.43 -1.95 -2.53 114.38 119.07 3mj2 h ARG 581 Ca -0.50 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3mj2 h ARG 581 Cb 1.28 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3mj2 h ARG 581 CO 0.56 0.15 0.00 1.28 -1.51 0.00 0.00 179.97 180.45 3mj2 n LEU 582 N -5.13 0.00 -4.70 3.80 4.77 -1.26 -4.68 117.00 109.80 3mj2 n LEU 582 Ca 0.07 0.49 -0.41 0.00 -0.03 0.00 0.00 56.01 56.13 3mj2 n LEU 582 Cb 0.28 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 3mj2 n LEU 582 CO 0.18 -0.06 0.56 0.00 -1.33 0.00 0.00 177.39 176.74 3mj2 s ALA 583 N -2.97 3.36 0.87 -1.18 0.00 -0.95 -4.76 121.76 116.12 3mj2 s ALA 583 Ca 0.13 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 3mj2 s ALA 583 Cb 0.17 -3.17 0.11 0.00 0.00 0.00 0.00 23.12 20.23 3mj2 s ALA 583 CO 0.46 -0.35 1.09 -1.54 0.00 0.00 0.00 175.76 175.43 3mj2 s SER 584 N 0.99 3.75 0.25 0.00 1.04 -1.26 -4.80 113.70 113.67 3mj2 s SER 584 Ca 0.42 1.46 -0.05 0.00 0.48 0.00 0.00 55.95 58.26 3mj2 s SER 584 Cb -0.18 -2.15 0.47 0.00 0.10 0.00 0.00 66.02 64.26 3mj2 s SER 584 CO 0.19 -2.46 1.68 0.74 0.98 0.00 0.00 173.24 174.37 3mj2 h THR 585 N -1.42 0.51 0.07 2.02 2.02 -1.97 -0.77 112.91 113.37 3mj2 h THR 585 Ca -0.49 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 3mj2 h THR 585 Cb 1.28 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3mj2 h THR 585 CO 0.56 0.05 -0.03 -0.74 0.37 0.00 0.00 175.52 175.72 3mj2 h HIS 586 N 0.27 -0.09 -0.72 3.16 -0.00 -2.00 -2.39 115.15 113.39 3mj2 h HIS 586 Ca 0.42 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.86 3mj2 h HIS 586 Cb 0.72 0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 28.10 3mj2 h HIS 586 CO -0.26 0.03 0.40 0.28 -0.00 0.00 0.00 177.93 178.38 3mj2 h VAL 587 N -0.18 0.95 -0.58 5.26 2.07 -1.83 -2.38 116.25 119.55 3mj2 h VAL 587 Ca -0.01 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3mj2 h VAL 587 Cb 0.15 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 3mj2 h VAL 587 CO 0.02 0.13 0.26 0.22 0.02 0.00 0.00 177.57 178.21 3mj2 h TYR 588 N 0.71 0.83 -0.10 1.57 3.20 -0.95 -1.01 116.97 121.22 3mj2 h TYR 588 Ca 0.33 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.05 3mj2 h TYR 588 Cb 0.24 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3mj2 h TYR 588 CO -0.08 0.62 -0.45 -0.56 -1.64 0.00 0.00 178.16 176.05 3mj2 h GLN 589 N 0.82 0.24 -0.45 1.82 -0.00 -0.99 -1.07 115.11 115.49 3mj2 h GLN 589 Ca 0.20 -0.12 -0.00 0.00 -0.00 0.00 0.00 58.65 58.72 3mj2 h GLN 589 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.58 3mj2 h GLN 589 CO -0.02 0.65 0.26 0.82 -0.00 0.00 0.00 178.83 180.54 3mj2 h ILE 590 N 0.20 1.15 -0.28 1.86 2.04 -0.87 -1.95 117.51 119.66 3mj2 h ILE 590 Ca 0.01 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3mj2 h ILE 590 Cb 0.88 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3mj2 h ILE 590 CO 0.07 0.15 0.03 0.24 0.00 0.00 0.00 178.15 178.64 3mj2 h MET 591 N 0.59 0.12 -0.16 2.37 2.86 -0.90 -2.69 114.93 117.11 3mj2 h MET 591 Ca 0.16 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3mj2 h MET 591 Cb 0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3mj2 h MET 591 CO -0.03 0.08 -0.05 -0.91 1.06 0.00 0.00 176.91 177.06 3mj2 h ASN 592 N 0.12 0.22 0.14 1.22 2.35 -1.03 -1.70 115.58 116.90 3mj2 h ASN 592 Ca 0.13 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 3mj2 h ASN 592 Cb 0.16 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3mj2 h ASN 592 CO -0.20 0.31 -0.25 0.45 -1.65 0.00 0.00 177.43 176.09 3mj2 h HIS 593 N 0.24 0.22 0.00 1.19 3.86 -1.07 -2.15 115.15 117.43 3mj2 h HIS 593 Ca 0.05 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 3mj2 h HIS 593 Cb 0.24 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 3mj2 h HIS 593 CO 0.00 0.44 -0.19 0.00 0.86 0.00 0.00 177.93 179.05 3mj2 n TRP 595 N -3.58 2.22 -2.00 0.00 8.01 -0.81 -3.59 117.44 117.69 3mj2 n TRP 595 Ca -0.01 -1.47 -0.41 0.00 -1.31 0.00 0.00 57.50 54.30 3mj2 n TRP 595 Cb 0.33 -0.69 -0.01 0.00 -2.01 0.00 0.00 31.31 28.92 3mj2 n TRP 595 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 3mj2 s LYS 596 N -3.13 4.26 0.13 -0.99 -0.14 -1.20 -4.94 119.74 113.72 3mj2 s LYS 596 Ca 0.52 2.35 -0.24 0.00 -1.36 0.00 0.00 55.97 57.24 3mj2 s LYS 596 Cb 0.44 -3.03 -0.03 0.00 -1.68 0.00 0.00 37.83 33.52 3mj2 s LYS 596 CO 0.09 -0.32 1.64 1.49 -0.76 0.00 0.00 175.35 177.50 3mj2 h GLU 597 N 3.26 -0.32 -6.27 1.68 4.81 -1.94 -3.40 114.58 112.40 3mj2 h GLU 597 Ca -0.50 0.02 -0.55 0.00 -0.13 0.00 0.00 59.36 58.21 3mj2 h GLU 597 Cb 1.23 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.65 3mj2 h GLU 597 CO 0.65 -0.21 0.22 1.03 -0.73 0.00 0.00 179.01 179.97 3mj2 s ARG 598 N -6.08 4.52 0.46 1.92 0.52 -1.26 -4.74 118.95 114.29 3mj2 s ARG 598 Ca -0.15 1.15 0.18 0.00 -0.52 0.00 0.00 55.73 56.40 3mj2 s ARG 598 Cb 0.10 -3.43 1.16 0.00 0.52 0.00 0.00 34.95 33.30 3mj2 s ARG 598 CO 0.67 0.09 1.97 -1.00 0.02 0.00 0.00 175.30 177.04 3mj2 h PRO 599 N 6.43 0.26 0.00 3.54 0.13 -1.92 -1.33 132.00 139.11 3mj2 h PRO 599 Ca -0.42 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3mj2 h PRO 599 Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3mj2 h PRO 599 CO 0.74 0.17 0.00 1.05 -0.23 0.00 0.00 178.00 179.73 3mj2 h GLU 600 N 0.27 0.00 -0.01 0.86 9.09 -1.94 -2.27 114.58 120.58 3mj2 h GLU 600 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.71 3mj2 h GLU 600 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 3mj2 h GLU 600 CO -0.07 0.00 -0.33 -0.25 0.05 0.00 0.00 179.01 178.41 3mj2 n ASP 601 N -2.63 1.12 -4.84 3.06 8.00 -0.50 -4.90 116.55 115.87 3mj2 n ASP 601 Ca 0.01 -0.93 -0.36 0.00 0.71 0.00 0.00 54.79 54.23 3mj2 n ASP 601 Cb 0.24 0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.50 3mj2 n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3mj2 s ARG 602 N -2.56 4.03 0.56 -1.24 0.52 -0.86 -4.86 118.95 114.55 3mj2 s ARG 602 Ca 0.22 0.55 -0.18 0.00 -0.52 0.00 0.00 55.73 55.81 3mj2 s ARG 602 Cb 0.19 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.67 3mj2 s ARG 602 CO 0.55 0.47 1.07 -1.25 0.02 0.00 0.00 175.30 176.17 3mj2 s PRO 603 N -1.92 3.38 0.70 3.54 0.04 -1.26 -5.03 135.00 134.45 3mj2 s PRO 603 Ca 0.38 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 3mj2 s PRO 603 Cb -0.15 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.37 3mj2 s PRO 603 CO 0.19 -0.78 1.08 0.00 0.04 0.00 0.00 177.00 177.53 3mj2 s ALA 604 N -2.17 2.50 0.41 8.56 0.00 -1.26 -4.85 121.76 124.95 3mj2 s ALA 604 Ca 0.67 0.27 0.11 0.00 0.00 0.00 0.00 51.96 53.01 3mj2 s ALA 604 Cb -0.18 -3.24 0.94 0.00 0.00 0.00 0.00 23.12 20.64 3mj2 s ALA 604 CO 0.31 -1.38 1.97 0.74 0.00 0.00 0.00 175.76 177.40 3mj2 h PHE 605 N -0.59 0.54 -0.82 0.00 -1.00 -1.93 -0.88 116.94 112.27 3mj2 h PHE 605 Ca -0.45 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.35 3mj2 h PHE 605 Cb 1.22 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 40.57 3mj2 h PHE 605 CO 0.59 0.26 0.52 0.66 -1.61 0.00 0.00 178.31 178.73 3mj2 h SER 606 N 0.51 0.96 -0.05 2.17 4.64 -1.91 0.73 113.55 120.60 3mj2 h SER 606 Ca 0.29 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 3mj2 h SER 606 Cb 0.46 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3mj2 h SER 606 CO -0.09 0.71 -0.18 0.03 -0.87 0.00 0.00 176.83 176.43 3mj2 h ARG 607 N 1.11 0.20 -0.88 4.77 2.47 -1.60 -3.15 114.38 117.31 3mj2 h ARG 607 Ca 0.30 -0.16 0.13 0.00 -1.26 0.00 0.00 59.98 58.99 3mj2 h ARG 607 Cb -0.09 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.19 3mj2 h ARG 607 CO -0.06 0.79 0.57 -0.07 0.56 0.00 0.00 179.97 181.76 3mj2 h LEU 608 N -0.34 0.68 -0.47 3.04 3.38 -0.98 -1.58 115.31 119.04 3mj2 h LEU 608 Ca -0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3mj2 h LEU 608 Cb 0.82 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3mj2 h LEU 608 CO 0.04 0.36 0.20 0.25 0.09 0.00 0.00 178.44 179.38 3mj2 h LEU 609 N 0.73 0.63 -0.90 1.67 5.85 -0.89 0.12 115.31 122.52 3mj2 h LEU 609 Ca 0.43 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3mj2 h LEU 609 Cb 0.64 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3mj2 h LEU 609 CO -0.20 0.61 0.56 0.03 -0.34 0.00 0.00 178.44 179.10 3mj2 h ARG 610 N 0.61 1.21 -0.16 1.25 -0.00 -1.32 -1.22 114.38 114.76 3mj2 h ARG 610 Ca 0.16 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.98 59.49 3mj2 h ARG 610 Cb 0.17 -0.26 -0.00 0.00 0.00 0.00 0.00 29.97 29.87 3mj2 h ARG 610 CO -0.02 0.84 -0.08 1.96 0.00 0.00 0.00 179.97 182.68 3mj2 h GLN 611 N 1.24 0.34 -0.21 0.04 4.20 -0.86 -1.89 115.11 117.96 3mj2 h GLN 611 Ca 0.33 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.77 3mj2 h GLN 611 Cb -0.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3mj2 h GLN 611 CO -0.06 0.65 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.30 3mj2 h LEU 612 N 0.01 0.50 -0.83 1.46 3.38 -0.70 -2.78 115.31 116.36 3mj2 h LEU 612 Ca 0.04 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 3mj2 h LEU 612 Cb 0.55 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3mj2 h LEU 612 CO 0.02 0.84 -0.50 0.00 0.09 0.00 0.00 178.44 178.90 3mj2 h ALA 613 N 1.19 1.01 0.00 1.53 0.00 -1.26 -3.14 119.26 118.59 3mj2 h ALA 613 Ca 0.04 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3mj2 h ALA 613 Cb 0.85 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3mj2 h ALA 613 CO 0.07 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 179.93 3mj2 h ALA 614 N 1.31 1.05 0.00 0.00 0.00 -1.05 -3.51 119.26 117.06 3mj2 h ALA 614 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mj2 h ALA 614 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3mj2 h ALA 614 CO 0.08 0.05 0.00 -0.89 0.00 0.00 0.00 179.25 178.49