#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mj1 n SER 356 N 0.00 0.65 -4.59 1.61 3.41 -1.26 -4.91 113.62 108.54 3mj1 n SER 356 Ca 0.00 -0.44 -0.36 0.00 -0.26 0.00 0.00 58.87 57.81 3mj1 n SER 356 Cb 0.00 0.24 -0.11 0.00 -0.26 0.00 0.00 64.21 64.08 3mj1 n SER 356 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3mj1 s VAL 357 N -2.87 4.98 -0.20 -3.33 1.01 -1.26 -0.26 120.40 118.47 3mj1 s VAL 357 Ca 0.14 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 3mj1 s VAL 357 Cb 0.18 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3mj1 s VAL 357 CO 0.66 0.34 0.10 -0.63 0.00 0.00 0.00 175.10 175.57 3mj1 s ILE 358 N 1.22 5.03 0.25 2.22 1.01 0.03 -4.90 121.20 126.06 3mj1 s ILE 358 Ca 0.06 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 3mj1 s ILE 358 Cb -0.14 -3.29 -0.10 0.00 0.01 0.00 0.00 42.46 38.93 3mj1 s ILE 358 CO 0.05 0.43 1.40 -0.62 0.00 0.00 0.00 174.94 176.20 3mj1 s ASP 359 N 0.53 6.70 0.52 3.58 -1.08 -1.26 -4.26 116.67 121.40 3mj1 s ASP 359 Ca 0.05 2.63 0.21 0.00 -0.52 0.00 0.00 52.55 54.93 3mj1 s ASP 359 Cb -0.12 -2.63 1.33 0.00 -1.46 0.00 0.00 42.92 40.04 3mj1 s ASP 359 CO 0.00 -0.65 2.06 -0.65 0.52 0.00 0.00 175.17 176.45 3mj1 h PRO 360 N 4.84 0.01 0.00 4.34 0.11 -1.96 -0.87 132.00 138.48 3mj1 h PRO 360 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3mj1 h PRO 360 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3mj1 h PRO 360 CO 0.76 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.43 3mj1 n SER 361 N -4.45 0.36 -0.06 -2.05 3.41 -1.26 -2.36 113.62 107.20 3mj1 n SER 361 Ca 0.04 0.58 0.14 0.00 -0.26 0.00 0.00 58.87 59.38 3mj1 n SER 361 Cb 0.38 -0.66 0.61 0.00 -0.26 0.00 0.00 64.21 64.28 3mj1 n SER 361 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mj1 n GLU 362 N -1.89 0.47 -4.79 4.33 1.02 -0.33 -4.87 120.64 114.58 3mj1 n GLU 362 Ca 0.03 -0.13 -0.32 0.00 -0.02 0.00 0.00 57.16 56.73 3mj1 n GLU 362 Cb 0.21 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.00 3mj1 n GLU 362 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3mj1 s LEU 363 N -2.62 2.65 -0.14 -4.62 1.43 -1.00 -0.35 118.68 114.04 3mj1 s LEU 363 Ca 0.25 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3mj1 s LEU 363 Cb 0.20 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.89 3mj1 s LEU 363 CO 0.50 0.30 -0.17 -0.89 0.23 0.00 0.00 176.35 176.32 3mj1 s THR 364 N -0.83 1.70 -0.33 5.49 2.01 -0.48 -4.97 115.64 118.22 3mj1 s THR 364 Ca 0.13 -0.74 -0.25 0.00 0.31 0.00 0.00 61.69 61.14 3mj1 s THR 364 Cb -0.11 -1.55 0.01 0.00 0.01 0.00 0.00 72.50 70.86 3mj1 s THR 364 CO 0.03 0.48 0.87 -0.36 -0.69 0.00 0.00 174.62 174.95 3mj1 s PHE 365 N 1.17 3.16 -0.21 4.92 0.40 -1.26 -1.50 117.98 124.65 3mj1 s PHE 365 Ca -0.01 0.84 -0.16 0.00 -0.60 0.00 0.00 56.93 57.00 3mj1 s PHE 365 Cb -0.14 -3.42 -0.11 0.00 0.51 0.00 0.00 43.02 39.87 3mj1 s PHE 365 CO -0.06 -0.68 -0.18 0.28 0.70 0.00 0.00 175.22 175.27 3mj1 n VAL 366 N 5.72 1.50 -3.60 -0.44 0.31 -0.30 -5.00 118.33 116.52 3mj1 n VAL 366 Ca 0.06 -0.06 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3mj1 n VAL 366 Cb 0.48 -2.13 -0.06 0.00 -0.91 0.00 0.00 33.84 31.23 3mj1 n VAL 366 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mj1 s GLN 367 N -2.52 0.53 0.21 5.55 -2.07 -1.09 -5.01 119.66 115.26 3mj1 s GLN 367 Ca -0.30 0.24 -0.30 0.00 -1.82 0.00 0.00 55.36 53.18 3mj1 s GLN 367 Cb 0.08 0.25 -0.09 0.00 -1.09 0.00 0.00 33.01 32.15 3mj1 s GLN 367 CO 0.45 -0.14 1.40 -2.00 -1.32 0.00 0.00 175.29 173.68 3mj1 s GLU 368 N -0.77 4.31 0.00 9.60 2.12 -1.26 -0.46 118.70 132.24 3mj1 s GLU 368 Ca 0.00 2.20 0.03 0.00 0.36 0.00 0.00 54.97 57.56 3mj1 s GLU 368 Cb -0.02 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.23 3mj1 s GLU 368 CO -0.01 -0.39 0.51 0.44 -0.54 0.00 0.00 175.26 175.27 3mj1 n ILE 369 N 2.80 0.00 0.00 -3.70 -5.35 0.26 -4.83 119.36 108.54 3mj1 n ILE 369 Ca 0.08 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3mj1 n ILE 369 Cb 0.41 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 3mj1 n ILE 369 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mj1 n GLY 370 N 0.28 -0.28 3.26 3.28 0.00 -1.18 -5.02 105.19 105.52 3mj1 n GLY 370 Ca 0.01 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 3mj1 n GLY 370 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mj1 s SER 371 N 0.00 2.52 -0.08 1.61 0.01 -1.26 -1.01 113.70 115.49 3mj1 s SER 371 Ca 0.00 -0.53 -0.08 0.00 1.31 0.00 0.00 55.95 56.64 3mj1 s SER 371 Cb 0.00 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 3mj1 s SER 371 CO 0.00 0.16 -0.16 0.61 0.41 0.00 0.00 173.24 174.26 3mj1 n GLY 372 N 1.81 -0.47 0.57 3.44 0.00 -1.26 -4.98 105.19 104.30 3mj1 n GLY 372 Ca -0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 3mj1 n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mj1 n GLY 375 N 1.61 -0.23 3.76 -0.02 0.00 0.29 -5.10 105.19 105.50 3mj1 n GLY 375 Ca -0.07 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3mj1 n GLY 375 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mj1 s LEU 376 N -6.42 4.47 -0.08 0.99 2.96 -1.10 -4.89 118.68 114.59 3mj1 s LEU 376 Ca -0.08 2.34 0.02 0.00 -0.22 0.00 0.00 54.13 56.20 3mj1 s LEU 376 Cb 0.01 -3.71 0.01 0.00 0.50 0.00 0.00 46.19 43.00 3mj1 s LEU 376 CO 0.12 -0.29 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.02 3mj1 s VAL 377 N -1.22 1.38 0.00 1.68 1.01 -0.18 -1.71 120.40 121.36 3mj1 s VAL 377 Ca 0.47 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.92 3mj1 s VAL 377 Cb -0.33 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3mj1 s VAL 377 CO 0.42 0.41 -0.20 -1.00 0.00 0.00 0.00 175.10 174.73 3mj1 s HIS 378 N 0.74 2.50 0.20 5.22 3.76 -0.16 -0.57 115.29 126.97 3mj1 s HIS 378 Ca -0.12 -0.30 -0.30 0.00 -0.15 0.00 0.00 55.06 54.18 3mj1 s HIS 378 Cb -0.16 -1.51 -0.08 0.00 1.11 0.00 0.00 32.58 31.94 3mj1 s HIS 378 CO 0.03 0.14 1.23 -1.17 -0.85 0.00 0.00 174.74 174.12 3mj1 s LEU 379 N -1.00 4.44 0.33 0.89 2.96 0.39 -0.39 118.68 126.30 3mj1 s LEU 379 Ca 0.12 2.31 0.03 0.00 -0.22 0.00 0.00 54.13 56.37 3mj1 s LEU 379 Cb -0.10 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 3mj1 s LEU 379 CO 0.02 -0.42 0.36 -0.83 -1.32 0.00 0.00 176.35 174.16 3mj1 s GLY 380 N 0.14 1.95 -0.02 7.98 0.00 0.15 -1.15 107.32 116.38 3mj1 s GLY 380 Ca 0.54 -1.83 0.08 0.00 0.00 0.00 0.00 44.72 43.50 3mj1 s GLY 380 CO 0.38 -1.27 -0.25 -0.19 0.00 0.00 0.00 173.10 171.77 3mj1 s TYR 381 N -3.28 2.21 -0.24 1.90 1.51 -0.57 -1.27 117.35 117.61 3mj1 s TYR 381 Ca 0.36 -0.42 -0.08 0.00 -1.01 0.00 0.00 57.07 55.93 3mj1 s TYR 381 Cb 0.01 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 3mj1 s TYR 381 CO 0.24 -0.03 0.08 -0.46 -1.11 0.00 0.00 175.55 174.27 3mj1 s TRP 382 N -0.59 3.12 -1.50 2.71 -0.00 0.80 -1.39 118.94 122.09 3mj1 s TRP 382 Ca 0.10 -0.29 -0.09 0.00 -0.00 0.00 0.00 56.10 55.81 3mj1 s TRP 382 Cb -0.09 -2.23 0.07 0.00 -0.00 0.00 0.00 33.47 31.22 3mj1 s TRP 382 CO -0.01 -0.26 0.77 1.28 -0.00 0.00 0.00 176.95 178.73 3mj1 n LEU 383 N 4.72 -2.39 0.00 5.86 7.99 0.53 -2.65 117.00 131.06 3mj1 n LEU 383 Ca -0.16 -0.89 0.00 0.00 -0.01 0.00 0.00 56.01 54.95 3mj1 n LEU 383 Cb 0.52 -2.40 0.00 0.00 -0.11 0.00 0.00 43.42 41.43 3mj1 n LEU 383 CO 0.32 0.41 0.00 0.59 -1.51 0.00 0.00 177.39 177.20 3mj1 n ASN 384 N -2.87 -0.40 -0.03 -1.43 3.02 -1.26 -4.61 115.26 107.68 3mj1 n ASN 384 Ca -0.09 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.41 3mj1 n ASN 384 Cb 0.58 -2.20 -0.03 0.00 -0.61 0.00 0.00 39.78 37.53 3mj1 n ASN 384 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3mj1 n LYS 385 N -1.36 0.15 -4.19 3.52 4.81 -1.12 -5.05 118.16 114.92 3mj1 n LYS 385 Ca 0.00 0.05 -0.34 0.00 -0.87 0.00 0.00 58.31 57.14 3mj1 n LYS 385 Cb 0.03 -0.93 -0.10 0.00 0.02 0.00 0.00 35.03 34.05 3mj1 n LYS 385 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3mj1 s ASP 386 N -5.07 5.37 0.20 3.14 1.01 -1.08 -4.92 116.67 115.32 3mj1 s ASP 386 Ca -0.09 0.07 -0.30 0.00 0.71 0.00 0.00 52.55 52.94 3mj1 s ASP 386 Cb 0.03 -1.81 -0.09 0.00 1.01 0.00 0.00 42.92 42.06 3mj1 s ASP 386 CO 0.13 0.24 1.35 -0.54 0.21 0.00 0.00 175.17 176.55 3mj1 s LYS 387 N -0.02 4.35 0.04 8.23 1.02 -1.26 -0.14 119.74 131.97 3mj1 s LYS 387 Ca 0.04 2.12 -0.01 0.00 0.02 0.00 0.00 55.97 58.14 3mj1 s LYS 387 Cb -0.13 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 3mj1 s LYS 387 CO 0.02 -0.31 -0.03 0.14 -0.92 0.00 0.00 175.35 174.25 3mj1 s VAL 388 N 0.18 0.18 -0.25 3.17 -7.23 -0.40 -4.20 120.40 111.84 3mj1 s VAL 388 Ca 0.58 -1.47 -0.11 0.00 -1.81 0.00 0.00 61.98 59.17 3mj1 s VAL 388 Cb -0.38 -1.06 -0.05 0.00 0.56 0.00 0.00 36.38 35.45 3mj1 s VAL 388 CO 0.39 -0.81 0.16 0.00 -0.31 0.00 0.00 175.10 174.53 3mj1 s ALA 389 N -3.02 3.57 -0.30 1.32 0.00 -0.54 -0.67 121.76 122.12 3mj1 s ALA 389 Ca -0.01 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.91 3mj1 s ALA 389 Cb 0.01 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 3mj1 s ALA 389 CO -0.07 -0.29 0.12 0.42 0.00 0.00 0.00 175.76 175.94 3mj1 s ILE 390 N 1.25 4.35 -0.42 0.00 1.01 0.47 -0.27 121.20 127.60 3mj1 s ILE 390 Ca 0.07 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 3mj1 s ILE 390 Cb -0.14 -3.20 0.07 0.00 0.01 0.00 0.00 42.46 39.20 3mj1 s ILE 390 CO 0.06 0.11 0.27 -0.75 0.00 0.00 0.00 174.94 174.64 3mj1 s LYS 391 N 1.58 2.68 -0.07 2.79 2.20 0.22 -0.99 119.74 128.14 3mj1 s LYS 391 Ca 0.04 -1.40 -0.15 0.00 -0.36 0.00 0.00 55.97 54.10 3mj1 s LYS 391 Cb -0.17 -3.82 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 3mj1 s LYS 391 CO 0.05 -0.93 0.39 0.95 -0.36 0.00 0.00 175.35 175.44 3mj1 s THR 392 N 1.47 5.15 0.00 3.43 -4.23 -0.70 -0.94 115.64 119.82 3mj1 s THR 392 Ca 0.03 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 3mj1 s THR 392 Cb -0.23 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.91 3mj1 s THR 392 CO 0.03 0.48 0.00 0.00 -0.54 0.00 0.00 174.62 174.59 3mj1 n ILE 393 N 2.64 0.00 0.06 2.99 3.06 -1.21 -0.55 119.36 126.35 3mj1 n ILE 393 Ca -0.12 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.13 3mj1 n ILE 393 Cb 0.52 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.70 3mj1 n ILE 393 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3mj1 n GLU 405 N 0.00 0.01 0.17 9.51 1.02 -1.26 -4.19 120.64 125.90 3mj1 n GLU 405 Ca 0.00 0.18 0.03 0.00 -0.02 0.00 0.00 57.16 57.35 3mj1 n GLU 405 Cb 0.00 -0.98 0.40 0.00 -0.02 0.00 0.00 31.44 30.84 3mj1 n GLU 405 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3mj1 h GLU 406 N 0.00 0.10 -0.17 3.49 4.81 -2.06 -2.64 114.58 118.11 3mj1 h GLU 406 Ca 0.00 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 3mj1 h GLU 406 Cb 0.62 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3mj1 h GLU 406 CO 0.00 0.33 -0.37 0.00 -0.73 0.00 0.00 179.01 178.24 3mj1 h ALA 407 N 1.67 1.04 -0.35 2.92 0.00 -2.04 -1.88 119.26 120.64 3mj1 h ALA 407 Ca 0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3mj1 h ALA 407 Cb 0.46 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3mj1 h ALA 407 CO 0.03 0.59 0.14 0.93 0.00 0.00 0.00 179.25 180.95 3mj1 h GLU 408 N 0.31 0.51 -0.44 0.00 4.39 -1.92 -1.53 114.58 115.92 3mj1 h GLU 408 Ca 0.03 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 3mj1 h GLU 408 Cb 0.80 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 3mj1 h GLU 408 CO 0.06 0.50 0.26 0.28 -1.16 0.00 0.00 179.01 178.95 3mj1 h VAL 409 N 0.41 1.14 -0.89 3.13 2.07 -1.45 -3.05 116.25 117.61 3mj1 h VAL 409 Ca 0.12 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.34 3mj1 h VAL 409 Cb 0.17 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 3mj1 h VAL 409 CO -0.01 0.15 0.57 0.24 0.02 0.00 0.00 177.57 178.54 3mj1 h MET 410 N 0.58 1.04 -0.05 1.57 2.86 -1.04 -2.43 114.93 117.46 3mj1 h MET 410 Ca 0.16 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.63 3mj1 h MET 410 Cb 0.01 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 3mj1 h MET 410 CO -0.03 0.69 -0.45 0.52 1.06 0.00 0.00 176.91 178.70 3mj1 h MET 411 N 1.07 0.11 0.00 1.72 2.07 -1.23 -2.33 114.93 116.34 3mj1 h MET 411 Ca 0.37 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.94 3mj1 h MET 411 Cb 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.82 3mj1 h MET 411 CO -0.15 0.54 -0.02 0.87 1.07 0.00 0.00 176.91 179.22 3mj1 h LYS 412 N 0.09 0.00 -5.95 1.72 1.57 -1.33 -3.38 116.57 109.29 3mj1 h LYS 412 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.16 3mj1 h LYS 412 Cb 0.84 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.04 3mj1 h LYS 412 CO 0.06 0.02 1.64 -0.51 -0.57 0.00 0.00 179.45 180.10 3mj1 s LEU 413 N -6.29 3.72 -0.26 2.94 1.43 -0.88 -4.95 118.68 114.39 3mj1 s LEU 413 Ca -0.01 -1.79 -0.02 0.00 -1.03 0.00 0.00 54.13 51.28 3mj1 s LEU 413 Cb 0.10 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.79 3mj1 s LEU 413 CO 0.52 -1.38 -0.03 -0.55 0.23 0.00 0.00 176.35 175.15 3mj1 s SER 414 N 4.65 4.54 -0.12 2.29 0.15 -1.26 -4.83 113.70 119.11 3mj1 s SER 414 Ca 0.47 -0.91 -0.16 0.00 0.70 0.00 0.00 55.95 56.05 3mj1 s SER 414 Cb 0.01 -1.71 0.04 0.00 -1.71 0.00 0.00 66.02 62.65 3mj1 s SER 414 CO -0.05 -0.16 0.41 -2.28 1.20 0.00 0.00 173.24 172.36 3mj1 s HIS 415 N 1.34 -0.42 -0.43 3.44 5.04 -1.26 -5.05 115.29 117.95 3mj1 s HIS 415 Ca -0.00 0.95 0.18 0.00 -1.54 0.00 0.00 55.06 54.65 3mj1 s HIS 415 Cb -0.17 0.16 0.90 0.00 0.04 0.00 0.00 32.58 33.51 3mj1 s HIS 415 CO -0.03 -0.28 1.54 -0.35 -2.34 0.00 0.00 174.74 173.28 3mj1 n PRO 416 N 2.41 0.12 -0.36 2.88 -0.04 -1.26 -1.61 135.00 137.14 3mj1 n PRO 416 Ca -0.15 0.56 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 3mj1 n PRO 416 Cb 0.57 -1.84 0.23 0.00 -0.04 0.00 0.00 33.50 32.41 3mj1 n PRO 416 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3mj1 n LYS 417 N -2.08 2.94 -5.11 0.54 4.76 -1.26 -4.90 118.16 113.04 3mj1 n LYS 417 Ca -0.00 -2.58 -0.32 0.00 -2.87 0.00 0.00 58.31 52.53 3mj1 n LYS 417 Cb 0.07 -1.66 -0.16 0.00 -1.84 0.00 0.00 35.03 31.44 3mj1 n LYS 417 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3mj1 s LEU 418 N -2.22 2.29 -0.00 -0.35 1.43 -0.63 -1.03 118.68 118.16 3mj1 s LEU 418 Ca 0.36 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 3mj1 s LEU 418 Cb 0.27 -1.45 -0.08 0.00 0.03 0.00 0.00 46.19 44.96 3mj1 s LEU 418 CO 0.11 0.23 1.85 -0.69 0.23 0.00 0.00 176.35 178.08 3mj1 s VAL 419 N -0.03 3.24 0.02 -1.59 1.01 -0.39 -4.66 120.40 117.99 3mj1 s VAL 419 Ca -0.06 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 3mj1 s VAL 419 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3mj1 s VAL 419 CO 0.05 -0.03 0.93 -1.10 0.00 0.00 0.00 175.10 174.95 3mj1 s GLN 420 N 4.32 4.57 -0.27 2.72 -1.52 -1.26 -4.88 119.66 123.34 3mj1 s GLN 420 Ca 0.83 1.34 -0.24 0.00 -1.95 0.00 0.00 55.36 55.34 3mj1 s GLN 420 Cb -0.39 -3.43 -0.00 0.00 -0.22 0.00 0.00 33.01 28.96 3mj1 s GLN 420 CO 0.37 0.04 0.81 -1.17 -0.25 0.00 0.00 175.29 175.09 3mj1 s LEU 421 N 0.69 4.07 0.12 2.90 2.96 -1.26 -0.61 118.68 127.55 3mj1 s LEU 421 Ca 0.48 0.88 0.16 0.00 -0.22 0.00 0.00 54.13 55.43 3mj1 s LEU 421 Cb -0.21 -3.14 -0.09 0.00 0.50 0.00 0.00 46.19 43.25 3mj1 s LEU 421 CO 0.27 -0.56 1.00 1.88 -1.32 0.00 0.00 176.35 177.62 3mj1 h TYR 422 N 7.87 0.00 0.00 5.38 0.99 -0.55 -3.43 116.97 127.23 3mj1 h TYR 422 Ca -0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 3mj1 h TYR 422 Cb 1.09 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.82 3mj1 h TYR 422 CO 0.77 0.57 0.00 0.41 -0.00 0.00 0.00 178.16 179.90 3mj1 n GLY 423 N 1.35 0.77 3.27 3.88 0.00 -1.19 -4.97 105.19 108.30 3mj1 n GLY 423 Ca -0.06 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 3mj1 n GLY 423 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mj1 s VAL 424 N -2.00 2.17 -0.57 1.61 1.01 0.64 -1.08 120.40 122.18 3mj1 s VAL 424 Ca 0.00 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 3mj1 s VAL 424 Cb 0.00 -1.81 0.09 0.00 0.00 0.00 0.00 36.38 34.66 3mj1 s VAL 424 CO 0.00 0.56 0.70 0.00 0.00 0.00 0.00 175.10 176.37 3mj1 h LEU 426 N 9.99 0.55 -3.81 0.00 3.38 -1.85 -2.98 115.31 120.60 3mj1 h LEU 426 Ca -0.29 -0.66 -0.17 0.00 0.09 0.00 0.00 57.88 56.85 3mj1 h LEU 426 Cb 1.09 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 3mj1 h LEU 426 CO 1.07 1.53 -0.24 1.21 0.09 0.00 0.00 178.44 182.10 3mj1 n GLU 427 N -3.56 1.81 -3.69 1.13 0.00 -1.26 -4.73 120.64 110.33 3mj1 n GLU 427 Ca -0.15 -0.88 -0.14 0.00 0.00 0.00 0.00 57.16 55.99 3mj1 n GLU 427 Cb 1.06 -1.79 -0.09 0.00 0.00 0.00 0.00 31.44 30.63 3mj1 n GLU 427 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 3mj1 s GLN 428 N 0.56 0.67 -0.16 5.31 0.74 -1.26 -4.78 119.66 120.74 3mj1 s GLN 428 Ca 0.51 0.36 0.01 0.00 0.05 0.00 0.00 55.36 56.29 3mj1 s GLN 428 Cb 0.25 0.32 0.02 0.00 1.10 0.00 0.00 33.01 34.70 3mj1 s GLN 428 CO -0.01 -0.14 -0.17 0.00 -0.55 0.00 0.00 175.29 174.41 3mj1 s ALA 429 N -0.42 2.09 0.59 1.58 0.00 -1.26 -1.94 121.76 122.40 3mj1 s ALA 429 Ca -0.06 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 50.71 3mj1 s ALA 429 Cb -0.03 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 3mj1 s ALA 429 CO 0.03 -0.35 1.02 -1.25 0.00 0.00 0.00 175.76 175.21 3mj1 s PRO 430 N 1.37 3.59 0.54 0.00 0.04 -1.26 -5.11 135.00 134.17 3mj1 s PRO 430 Ca 0.05 0.93 -0.22 0.00 0.04 0.00 0.00 61.00 61.79 3mj1 s PRO 430 Cb -0.13 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 3mj1 s PRO 430 CO -0.12 -0.57 1.36 0.96 0.04 0.00 0.00 177.00 178.67 3mj1 s ILE 431 N -2.84 2.08 0.17 0.56 -4.36 -0.82 -4.78 121.20 111.21 3mj1 s ILE 431 Ca 0.58 0.06 0.07 0.00 -0.26 0.00 0.00 60.65 61.10 3mj1 s ILE 431 Cb -0.12 -3.03 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 3mj1 s ILE 431 CO 0.43 -0.00 -0.14 0.00 0.24 0.00 0.00 174.94 175.47 3mj1 s LEU 433 N -3.00 3.36 -0.26 0.00 1.43 -0.12 -0.56 118.68 119.53 3mj1 s LEU 433 Ca 0.17 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 3mj1 s LEU 433 Cb -0.02 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 3mj1 s LEU 433 CO 0.04 0.36 0.02 -0.69 0.23 0.00 0.00 176.35 176.32 3mj1 s VAL 434 N -0.86 3.69 0.26 -1.59 1.01 -0.24 -0.61 120.40 122.06 3mj1 s VAL 434 Ca 0.13 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.62 3mj1 s VAL 434 Cb -0.11 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3mj1 s VAL 434 CO 0.02 0.24 -0.05 -0.36 0.00 0.00 0.00 175.10 174.96 3mj1 s PHE 435 N 1.49 2.63 0.18 5.22 0.40 0.63 0.24 117.98 128.77 3mj1 s PHE 435 Ca 0.04 -0.24 -0.33 0.00 -0.60 0.00 0.00 56.93 55.80 3mj1 s PHE 435 Cb -0.16 -1.17 -0.14 0.00 0.51 0.00 0.00 43.02 42.05 3mj1 s PHE 435 CO -0.00 0.62 1.43 -1.91 0.70 0.00 0.00 175.22 176.07 3mj1 n GLU 436 N -0.73 1.84 -3.03 0.44 2.13 0.22 -1.47 120.64 120.03 3mj1 n GLU 436 Ca -0.07 0.66 -0.40 0.00 0.66 0.00 0.00 57.16 58.01 3mj1 n GLU 436 Cb 0.59 -2.34 -0.05 0.00 0.27 0.00 0.00 31.44 29.91 3mj1 n GLU 436 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3mj1 s PHE 437 N 0.38 3.45 -0.37 4.31 5.36 -1.26 -4.44 117.98 125.41 3mj1 s PHE 437 Ca 0.75 1.12 -0.05 0.00 -0.96 0.00 0.00 56.93 57.79 3mj1 s PHE 437 Cb -0.73 -2.87 0.07 0.00 -0.34 0.00 0.00 43.02 39.15 3mj1 s PHE 437 CO 0.45 -0.12 0.14 -1.64 -1.46 0.00 0.00 175.22 172.59 3mj1 s MET 438 N 1.67 2.42 0.49 10.12 -1.94 -1.26 -4.99 119.30 125.81 3mj1 s MET 438 Ca 0.34 -1.42 0.24 0.00 -1.71 0.00 0.00 55.69 53.14 3mj1 s MET 438 Cb -0.17 -3.51 1.27 0.00 2.01 0.00 0.00 34.83 34.44 3mj1 s MET 438 CO 0.13 -0.83 2.01 1.05 -0.01 0.00 0.00 175.02 177.37 3mj1 h GLU 439 N 8.17 0.00 -0.64 2.03 4.11 -1.88 -2.88 114.58 123.49 3mj1 h GLU 439 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 3mj1 h GLU 439 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3mj1 h GLU 439 CO 0.65 0.16 0.00 0.72 0.07 0.00 0.00 179.01 180.61 3mj1 n HIS 440 N -3.71 0.85 -4.48 2.06 8.25 -0.34 -5.05 115.22 112.79 3mj1 n HIS 440 Ca -0.02 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 3mj1 n HIS 440 Cb 0.28 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3mj1 n HIS 440 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mj1 n GLY 441 N 1.58 0.02 3.77 -1.41 0.00 -1.09 -4.65 105.19 103.41 3mj1 n GLY 441 Ca 0.23 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 3mj1 n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mj1 h LEU 443 N 3.03 0.91 -0.26 0.00 5.85 -0.84 -0.95 115.31 123.06 3mj1 h LEU 443 Ca -0.49 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.15 3mj1 h LEU 443 Cb 1.23 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 3mj1 h LEU 443 CO 0.64 0.80 -0.23 0.77 -0.34 0.00 0.00 178.44 180.08 3mj1 h SER 444 N 0.96 -0.74 -0.74 1.25 4.64 -1.77 0.89 113.55 118.04 3mj1 h SER 444 Ca 0.23 0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 3mj1 h SER 444 Cb 0.14 0.36 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 3mj1 h SER 444 CO -0.03 -0.27 0.42 0.44 -0.87 0.00 0.00 176.83 176.53 3mj1 h ASP 445 N -0.23 0.92 -0.40 4.97 3.32 -1.84 -2.65 116.42 120.51 3mj1 h ASP 445 Ca 0.14 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.96 3mj1 h ASP 445 Cb 0.45 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3mj1 h ASP 445 CO -0.39 0.74 -0.32 0.22 -1.72 0.00 0.00 179.24 177.77 3mj1 h TYR 446 N 1.02 1.11 -0.38 4.55 3.20 -0.71 -0.95 116.97 124.83 3mj1 h TYR 446 Ca 0.26 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3mj1 h TYR 446 Cb 0.01 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 3mj1 h TYR 446 CO -0.00 1.13 0.24 -0.07 -1.64 0.00 0.00 178.16 177.82 3mj1 h LEU 447 N 0.79 0.44 -0.45 2.82 3.38 -0.77 -1.37 115.31 120.15 3mj1 h LEU 447 Ca 0.08 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3mj1 h LEU 447 Cb 0.91 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3mj1 h LEU 447 CO 0.08 0.35 -0.11 0.03 0.09 0.00 0.00 178.44 178.88 3mj1 h ARG 448 N 0.50 0.87 -0.01 1.13 3.08 -1.27 -0.75 114.38 117.94 3mj1 h ARG 448 Ca 0.14 -0.33 -0.14 0.00 0.07 0.00 0.00 59.98 59.72 3mj1 h ARG 448 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3mj1 h ARG 448 CO -0.03 0.97 -0.64 1.79 -1.07 0.00 0.00 179.97 181.00 3mj1 h THR 449 N 0.70 1.45 -0.49 2.04 1.35 -1.16 -3.15 112.91 113.66 3mj1 h THR 449 Ca 0.11 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.81 3mj1 h THR 449 Cb 0.65 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3mj1 h THR 449 CO 0.04 0.62 0.00 1.67 -0.25 0.00 0.00 175.52 177.60 3mj1 n GLN 450 N -3.79 2.55 -1.62 4.72 -0.06 -0.52 -5.00 117.38 113.66 3mj1 n GLN 450 Ca -0.01 -2.36 -0.50 0.00 -2.00 0.00 0.00 57.00 52.13 3mj1 n GLN 450 Cb 0.63 -1.53 -0.05 0.00 -4.06 0.00 0.00 30.24 25.23 3mj1 n GLN 450 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 3mj1 n ARG 451 N 1.51 1.48 0.00 3.69 0.63 -0.29 -1.53 116.66 122.15 3mj1 n ARG 451 Ca 0.21 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 3mj1 n ARG 451 Cb 0.60 -2.20 0.00 0.00 0.45 0.00 0.00 32.46 31.31 3mj1 n ARG 451 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3mj1 n GLY 452 N 2.73 0.25 0.49 5.14 0.00 -1.26 -4.90 105.19 107.63 3mj1 n GLY 452 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 3mj1 n GLY 452 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mj1 n LEU 453 N 0.00 1.94 -4.69 0.99 4.77 -0.58 -4.98 117.00 114.44 3mj1 n LEU 453 Ca 0.00 -0.82 -0.38 0.00 -0.03 0.00 0.00 56.01 54.79 3mj1 n LEU 453 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3mj1 n LEU 453 CO 0.00 0.36 0.09 -0.36 -1.33 0.00 0.00 177.39 176.15 3mj1 s PHE 454 N -1.97 3.42 0.38 -1.77 0.40 -1.26 -5.08 117.98 112.11 3mj1 s PHE 454 Ca 0.17 0.68 -0.17 0.00 -0.60 0.00 0.00 56.93 57.00 3mj1 s PHE 454 Cb 0.15 -2.49 -0.10 0.00 0.51 0.00 0.00 43.02 41.09 3mj1 s PHE 454 CO 0.41 0.08 0.84 0.00 0.70 0.00 0.00 175.22 177.25 3mj1 s ALA 455 N 0.98 3.19 0.30 5.36 0.00 -1.26 -4.99 121.76 125.35 3mj1 s ALA 455 Ca 0.20 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.38 3mj1 s ALA 455 Cb -0.14 -2.94 0.65 0.00 0.00 0.00 0.00 23.12 20.68 3mj1 s ALA 455 CO 0.08 0.20 1.83 0.00 0.00 0.00 0.00 175.76 177.86 3mj1 h ALA 456 N 1.97 1.62 -0.48 0.00 0.00 -1.98 -1.85 119.26 118.54 3mj1 h ALA 456 Ca -0.48 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3mj1 h ALA 456 Cb 1.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3mj1 h ALA 456 CO 0.63 0.11 0.19 0.93 0.00 0.00 0.00 179.25 181.11 3mj1 h GLU 457 N 0.89 0.68 -0.30 0.00 3.07 -1.94 -0.31 114.58 116.68 3mj1 h GLU 457 Ca 0.50 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.36 59.15 3mj1 h GLU 457 Cb 0.62 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3mj1 h GLU 457 CO -0.28 0.57 -0.29 1.15 -1.40 0.00 0.00 179.01 178.76 3mj1 h THR 458 N 0.68 1.30 -0.76 1.13 2.02 -1.74 -2.16 112.91 113.38 3mj1 h THR 458 Ca 0.16 -1.46 -0.06 0.00 0.77 0.00 0.00 66.41 65.83 3mj1 h THR 458 Cb 0.14 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3mj1 h THR 458 CO -0.02 0.47 0.25 -0.07 0.37 0.00 0.00 175.52 176.52 3mj1 h LEU 459 N 0.47 1.09 -0.39 2.58 3.38 -1.06 -1.37 115.31 120.01 3mj1 h LEU 459 Ca 0.05 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.84 3mj1 h LEU 459 Cb 0.86 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3mj1 h LEU 459 CO 0.07 1.00 0.21 0.25 0.09 0.00 0.00 178.44 180.07 3mj1 h LEU 460 N 1.12 0.33 -1.11 1.67 5.85 -1.06 -2.13 115.31 119.97 3mj1 h LEU 460 Ca 0.25 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.06 3mj1 h LEU 460 Cb 0.29 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3mj1 h LEU 460 CO -0.01 0.24 0.60 1.23 -0.34 0.00 0.00 178.44 180.16 3mj1 h GLY 461 N 0.43 1.39 1.03 3.75 0.00 -0.91 0.78 103.07 109.54 3mj1 h GLY 461 Ca 0.16 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 3mj1 h GLY 461 CO -0.09 0.27 0.23 -0.33 0.00 0.00 0.00 176.54 176.62 3mj1 h MET 462 N 1.02 1.04 -0.55 4.80 2.86 -0.89 -0.38 114.93 122.82 3mj1 h MET 462 Ca 0.42 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.75 3mj1 h MET 462 Cb 0.27 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3mj1 h MET 462 CO -0.17 0.89 -0.01 0.00 1.06 0.00 0.00 176.91 178.68 3mj1 h LEU 464 N 0.88 0.58 0.02 0.00 7.12 -0.59 0.10 115.31 123.43 3mj1 h LEU 464 Ca 0.16 -0.15 0.03 0.00 0.13 0.00 0.00 57.88 58.05 3mj1 h LEU 464 Cb 0.52 -0.15 -0.05 0.00 -0.53 0.00 0.00 40.66 40.45 3mj1 h LEU 464 CO 0.03 0.57 -0.37 0.44 -0.13 0.00 0.00 178.44 178.98 3mj1 h ASP 465 N 0.55 -1.10 -0.53 1.25 3.32 -0.96 -0.93 116.42 118.02 3mj1 h ASP 465 Ca 0.15 0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.35 3mj1 h ASP 465 Cb 0.16 0.43 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 3mj1 h ASP 465 CO -0.01 -0.43 0.33 0.58 -1.72 0.00 0.00 179.24 177.99 3mj1 h VAL 466 N -0.54 1.08 -0.68 -1.35 2.07 -1.30 -2.22 116.25 113.30 3mj1 h VAL 466 Ca 0.05 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3mj1 h VAL 466 Cb 0.61 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3mj1 h VAL 466 CO -0.28 0.12 0.45 0.00 0.02 0.00 0.00 177.57 177.88 3mj1 h GLU 468 N 0.92 0.69 -0.29 0.00 5.08 -0.59 0.15 114.58 120.54 3mj1 h GLU 468 Ca 0.25 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3mj1 h GLU 468 Cb -0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3mj1 h GLU 468 CO -0.05 0.79 0.15 0.78 -1.00 0.00 0.00 179.01 179.68 3mj1 h GLY 469 N 0.52 0.44 1.53 -3.84 0.00 -0.97 -2.49 103.07 98.26 3mj1 h GLY 469 Ca 0.11 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 3mj1 h GLY 469 CO 0.02 0.20 -0.11 -0.33 0.00 0.00 0.00 176.54 176.32 3mj1 h MET 470 N 0.35 0.57 -0.60 4.80 2.86 -0.70 -1.99 114.93 120.22 3mj1 h MET 470 Ca 0.10 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3mj1 h MET 470 Cb 0.09 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3mj1 h MET 470 CO -0.01 0.67 0.14 0.00 1.06 0.00 0.00 176.91 178.77 3mj1 h ALA 471 N 1.36 1.11 -0.05 6.32 0.00 -0.62 0.16 119.26 127.55 3mj1 h ALA 471 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3mj1 h ALA 471 Cb 0.51 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3mj1 h ALA 471 CO 0.03 0.59 0.02 -0.92 0.00 0.00 0.00 179.25 178.98 3mj1 h TYR 472 N 0.90 0.07 -0.48 0.00 3.20 -1.07 -1.23 116.97 118.36 3mj1 h TYR 472 Ca 0.19 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.07 3mj1 h TYR 472 Cb 0.33 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3mj1 h TYR 472 CO 0.02 0.17 0.31 -0.07 -1.64 0.00 0.00 178.16 176.96 3mj1 h LEU 473 N -0.04 0.53 -0.38 2.82 3.38 -1.19 -0.70 115.31 119.73 3mj1 h LEU 473 Ca 0.02 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3mj1 h LEU 473 Cb 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3mj1 h LEU 473 CO -0.00 0.38 0.01 -0.08 0.09 0.00 0.00 178.44 178.84 3mj1 h GLU 474 N 0.64 0.11 0.00 1.13 4.81 -0.89 -0.13 114.58 120.25 3mj1 h GLU 474 Ca 0.18 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3mj1 h GLU 474 Cb -0.05 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3mj1 h GLU 474 CO -0.05 0.07 -0.23 1.49 -0.73 0.00 0.00 179.01 179.56 3mj1 h GLU 475 N 0.12 0.00 -0.17 1.92 4.22 -0.84 -2.16 114.58 117.66 3mj1 h GLU 475 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.63 3mj1 h GLU 475 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3mj1 h GLU 475 CO -0.30 0.23 0.00 0.00 -2.18 0.00 0.00 179.01 176.76 3mj1 n ALA 476 N -2.46 2.52 -3.56 2.92 0.00 -0.30 -4.94 120.51 114.68 3mj1 n ALA 476 Ca -0.02 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 52.71 3mj1 n ALA 476 Cb 0.30 -1.09 0.07 0.00 0.00 0.00 0.00 19.45 18.73 3mj1 n ALA 476 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mj1 n SER 477 N 0.28 -2.17 -4.08 0.00 7.64 -0.61 -5.01 113.62 109.67 3mj1 n SER 477 Ca 0.16 -0.69 -0.31 0.00 1.01 0.00 0.00 58.87 59.03 3mj1 n SER 477 Cb 0.31 -4.68 -0.16 0.00 -1.01 0.00 0.00 64.21 58.67 3mj1 n SER 477 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mj1 s VAL 478 N -3.47 1.77 -0.15 0.44 1.01 -0.16 -5.03 120.40 114.81 3mj1 s VAL 478 Ca 0.08 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 3mj1 s VAL 478 Cb -0.03 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3mj1 s VAL 478 CO 0.76 0.49 0.45 -0.63 0.00 0.00 0.00 175.10 176.17 3mj1 s ILE 479 N 1.18 5.20 0.02 2.22 1.01 -1.26 -4.10 121.20 125.47 3mj1 s ILE 479 Ca -0.00 0.86 -0.26 0.00 0.00 0.00 0.00 60.65 61.26 3mj1 s ILE 479 Cb -0.14 -3.78 -0.17 0.00 0.01 0.00 0.00 42.46 38.38 3mj1 s ILE 479 CO -0.07 0.30 1.27 -0.74 0.00 0.00 0.00 174.94 175.70 3mj1 h HIS 480 N 6.91 -0.41 0.00 3.97 -0.00 -1.91 -3.48 115.15 120.23 3mj1 h HIS 480 Ca -0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 3mj1 h HIS 480 Cb 1.17 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.72 3mj1 h HIS 480 CO 0.64 -0.09 0.00 0.54 -0.00 0.00 0.00 177.93 179.01 3mj1 n ARG 481 N -5.16 0.00 -2.72 5.26 1.74 -1.26 -4.76 116.66 109.76 3mj1 n ARG 481 Ca -0.10 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.93 3mj1 n ARG 481 Cb 0.26 -0.77 0.06 0.00 -1.02 0.00 0.00 32.46 30.99 3mj1 n ARG 481 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3mj1 n ASP 482 N 0.00 0.79 -4.66 0.55 2.03 -1.26 -5.06 116.55 108.95 3mj1 n ASP 482 Ca 0.00 -2.42 -0.43 0.00 0.52 0.00 0.00 54.79 52.46 3mj1 n ASP 482 Cb 0.00 -0.21 -0.02 0.00 -0.72 0.00 0.00 41.12 40.17 3mj1 n ASP 482 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3mj1 s LEU 483 N -3.43 4.18 0.19 -2.67 2.96 -1.26 -4.79 118.68 113.87 3mj1 s LEU 483 Ca 0.25 1.81 -0.20 0.00 -0.22 0.00 0.00 54.13 55.76 3mj1 s LEU 483 Cb 0.41 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.61 3mj1 s LEU 483 CO -0.02 -0.86 0.58 0.00 -1.32 0.00 0.00 176.35 174.74 3mj1 s ALA 484 N 3.81 -1.27 0.43 5.97 0.00 -1.26 -4.66 121.76 124.78 3mj1 s ALA 484 Ca 0.61 0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.74 3mj1 s ALA 484 Cb -0.25 0.86 0.95 0.00 0.00 0.00 0.00 23.12 24.68 3mj1 s ALA 484 CO 0.20 -0.82 2.04 0.00 0.00 0.00 0.00 175.76 177.18 3mj1 h ALA 485 N 2.09 1.83 0.00 0.00 0.00 -1.93 -0.77 119.26 120.48 3mj1 h ALA 485 Ca -0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3mj1 h ALA 485 Cb 1.28 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3mj1 h ALA 485 CO 0.36 0.12 -0.01 0.07 0.00 0.00 0.00 179.25 179.78 3mj1 h ARG 486 N 0.46 0.00 -0.48 0.00 0.11 -1.95 -1.92 114.38 110.59 3mj1 h ARG 486 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 3mj1 h ARG 486 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 3mj1 h ARG 486 CO -0.04 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.13 3mj1 n ASN 487 N -3.44 4.18 -4.61 0.08 3.02 -0.30 -4.76 115.26 109.43 3mj1 n ASN 487 Ca -0.03 -2.51 -0.29 0.00 -0.03 0.00 0.00 54.58 51.71 3mj1 n ASN 487 Cb 0.10 -0.50 -0.09 0.00 -0.61 0.00 0.00 39.78 38.68 3mj1 n ASN 487 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mj1 s LEU 489 N -2.31 2.41 -0.16 0.00 1.43 0.32 -0.64 118.68 119.73 3mj1 s LEU 489 Ca 0.23 -0.83 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 3mj1 s LEU 489 Cb -0.11 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 3mj1 s LEU 489 CO 0.15 0.07 -0.08 -0.69 0.23 0.00 0.00 176.35 176.03 3mj1 s VAL 490 N -1.69 3.41 0.00 -1.59 1.01 0.08 -0.86 120.40 120.76 3mj1 s VAL 490 Ca 0.17 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3mj1 s VAL 490 Cb -0.08 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3mj1 s VAL 490 CO 0.08 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3mj1 n GLY 491 N 3.86 4.33 3.77 4.51 0.00 0.52 -1.20 105.19 120.98 3mj1 n GLY 491 Ca -0.18 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 3mj1 n GLY 491 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mj1 s GLU 492 N 2.47 4.24 -1.82 1.61 2.02 -1.26 -2.84 118.70 123.12 3mj1 s GLU 492 Ca 0.00 2.01 0.00 0.00 0.02 0.00 0.00 54.97 57.00 3mj1 s GLU 492 Cb 0.00 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.32 3mj1 s GLU 492 CO 0.00 -0.21 0.00 0.09 0.02 0.00 0.00 175.26 175.16 3mj1 n ASN 493 N 0.52 -5.81 -1.19 -0.19 4.13 -1.26 -2.46 115.26 109.01 3mj1 n ASN 493 Ca 0.02 0.06 -0.15 0.00 1.68 0.00 0.00 54.58 56.18 3mj1 n ASN 493 Cb 0.44 -4.88 -0.07 0.00 -1.54 0.00 0.00 39.78 33.74 3mj1 n ASN 493 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mj1 n GLN 494 N -2.92 -1.10 -1.83 3.52 6.02 -1.13 -4.97 117.38 114.96 3mj1 n GLN 494 Ca -0.24 1.04 -0.41 0.00 -0.01 0.00 0.00 57.00 57.38 3mj1 n GLN 494 Cb 0.69 -5.21 -0.02 0.00 1.02 0.00 0.00 30.24 26.72 3mj1 n GLN 494 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3mj1 s VAL 495 N -2.56 2.19 -0.14 5.09 0.11 -1.03 -4.74 120.40 119.32 3mj1 s VAL 495 Ca 0.00 0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 59.16 3mj1 s VAL 495 Cb 0.00 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.71 3mj1 s VAL 495 CO 0.00 0.03 0.04 -0.63 -3.33 0.00 0.00 175.10 171.21 3mj1 s ILE 496 N -0.18 4.63 0.03 7.04 -1.09 -1.26 -0.36 121.20 130.02 3mj1 s ILE 496 Ca 0.61 -0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.98 3mj1 s ILE 496 Cb -0.46 -3.03 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 3mj1 s ILE 496 CO 0.49 0.52 -0.16 -0.54 -1.23 0.00 0.00 174.94 174.02 3mj1 s LYS 497 N -0.14 1.14 0.16 2.79 1.02 -0.04 -4.46 119.74 120.20 3mj1 s LYS 497 Ca 0.06 -0.77 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 3mj1 s LYS 497 Cb -0.12 -1.17 -0.07 0.00 -0.52 0.00 0.00 37.83 35.95 3mj1 s LYS 497 CO 0.01 0.30 0.94 0.08 -0.92 0.00 0.00 175.35 175.77 3mj1 s VAL 498 N -0.73 4.32 0.30 3.17 1.01 -0.20 -0.52 120.40 127.75 3mj1 s VAL 498 Ca 0.04 2.06 0.05 0.00 0.00 0.00 0.00 61.98 64.13 3mj1 s VAL 498 Cb -0.08 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 3mj1 s VAL 498 CO 0.01 0.40 -0.01 -0.55 0.00 0.00 0.00 175.10 174.95 3mj1 s SER 499 N -0.53 2.62 -1.75 3.32 0.15 -0.23 -1.26 113.70 116.02 3mj1 s SER 499 Ca 0.44 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.83 3mj1 s SER 499 Cb -0.24 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 3mj1 s SER 499 CO 0.30 -0.45 0.00 0.47 1.20 0.00 0.00 173.24 174.77 3mj1 n ASP 500 N -0.62 -5.70 -4.56 5.45 8.00 -1.26 -4.79 116.55 113.07 3mj1 n ASP 500 Ca -0.04 0.04 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 3mj1 n ASP 500 Cb 0.65 -4.77 -0.04 0.00 -0.02 0.00 0.00 41.12 36.94 3mj1 n ASP 500 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mj1 s PHE 501 N -2.98 2.24 0.00 1.24 -0.12 -1.26 -4.94 117.98 112.17 3mj1 s PHE 501 Ca 0.00 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 56.63 3mj1 s PHE 501 Cb 0.00 -4.45 0.00 0.00 -0.63 0.00 0.00 43.02 37.94 3mj1 s PHE 501 CO 0.00 -1.89 0.00 -0.35 -0.05 0.00 0.00 175.22 172.93 3mj1 n PRO 521 N 8.90 0.00 0.20 1.99 -0.04 -1.26 -4.84 135.00 139.96 3mj1 n PRO 521 Ca 0.34 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.87 3mj1 n PRO 521 Cb 0.50 0.00 0.58 0.00 -0.04 0.00 0.00 33.50 34.53 3mj1 n PRO 521 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3mj1 h VAL 522 N 0.00 1.04 0.00 0.52 3.04 -1.96 -2.72 116.25 116.17 3mj1 h VAL 522 Ca 0.00 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3mj1 h VAL 522 Cb 0.00 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 3mj1 h VAL 522 CO 0.00 0.04 0.00 0.29 -1.01 0.00 0.00 177.57 176.89 3mj1 n LYS 523 N -4.50 0.14 0.00 4.17 5.02 -1.26 -1.57 118.16 120.15 3mj1 n LYS 523 Ca -0.02 0.47 0.03 0.00 -2.02 0.00 0.00 58.31 56.77 3mj1 n LYS 523 Cb 0.10 -1.81 0.02 0.00 -0.02 0.00 0.00 35.03 33.32 3mj1 n LYS 523 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3mj1 n TRP 524 N -2.08 0.00 -3.26 2.13 8.01 -1.03 -4.97 117.44 116.25 3mj1 n TRP 524 Ca 0.01 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.82 3mj1 n TRP 524 Cb 0.15 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.39 3mj1 n TRP 524 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3mj1 s ALA 525 N -0.62 3.54 0.73 6.99 0.00 -0.61 -3.62 121.76 128.17 3mj1 s ALA 525 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 3mj1 s ALA 525 Cb 0.05 -2.67 0.03 0.00 0.00 0.00 0.00 23.12 20.53 3mj1 s ALA 525 CO 0.09 0.27 1.09 -1.54 0.00 0.00 0.00 175.76 175.68 3mj1 s SER 526 N -0.56 4.79 0.28 0.00 1.04 -1.26 -4.79 113.70 113.18 3mj1 s SER 526 Ca 0.29 1.86 0.01 0.00 0.48 0.00 0.00 55.95 58.60 3mj1 s SER 526 Cb -0.18 -2.53 0.61 0.00 0.10 0.00 0.00 66.02 64.01 3mj1 s SER 526 CO 0.17 -1.85 1.77 -0.65 0.98 0.00 0.00 173.24 173.66 3mj1 h PRO 527 N -0.71 0.65 0.00 4.02 0.11 -1.94 -1.09 132.00 133.05 3mj1 h PRO 527 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3mj1 h PRO 527 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3mj1 h PRO 527 CO 0.53 0.43 -0.19 1.05 -0.21 0.00 0.00 178.00 179.61 3mj1 h GLU 528 N 0.67 0.00 0.15 1.05 9.09 -1.89 -2.53 114.58 121.13 3mj1 h GLU 528 Ca 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.91 3mj1 h GLU 528 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 3mj1 h GLU 528 CO -0.37 0.19 -0.07 0.28 0.05 0.00 0.00 179.01 179.08 3mj1 h VAL 529 N 0.00 0.34 0.00 -1.06 2.07 -1.40 -1.95 116.25 114.25 3mj1 h VAL 529 Ca -0.00 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3mj1 h VAL 529 Cb 0.77 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3mj1 h VAL 529 CO 0.02 0.10 0.00 2.19 0.02 0.00 0.00 177.57 179.91 3mj1 h PHE 530 N -1.02 0.00 0.06 1.57 -0.00 -1.41 0.26 116.94 116.41 3mj1 h PHE 530 Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.97 57.57 3mj1 h PHE 530 Cb 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 36.23 3mj1 h PHE 530 CO 0.04 0.00 -2.21 0.43 -0.00 0.00 0.00 178.31 176.57 3mj1 n SER 531 N -2.74 2.05 0.00 -0.68 7.64 -0.95 -4.79 113.62 114.15 3mj1 n SER 531 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3mj1 n SER 531 Cb 0.21 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 3mj1 n SER 531 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3mj1 n PHE 532 N -3.41 0.00 -3.33 1.43 3.01 -0.81 -5.03 117.46 109.32 3mj1 n PHE 532 Ca -0.39 -0.01 -0.23 0.00 1.01 0.00 0.00 57.45 57.83 3mj1 n PHE 532 Cb 1.01 -0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.54 3mj1 n PHE 532 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3mj1 n SER 533 N -0.01 -6.27 -4.43 4.37 7.64 0.90 -4.94 113.62 110.89 3mj1 n SER 533 Ca 0.00 -0.42 -0.45 0.00 1.01 0.00 0.00 58.87 59.01 3mj1 n SER 533 Cb 0.19 -4.98 -0.02 0.00 -1.01 0.00 0.00 64.21 58.39 3mj1 n SER 533 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 3mj1 s ARG 534 N -6.03 3.63 0.26 1.43 3.52 -0.80 -4.93 118.95 116.03 3mj1 s ARG 534 Ca 0.46 -1.97 -0.12 0.00 -0.13 0.00 0.00 55.73 53.97 3mj1 s ARG 534 Cb -0.20 -4.82 -0.08 0.00 -1.56 0.00 0.00 34.95 28.29 3mj1 s ARG 534 CO 0.57 -1.67 0.62 0.71 -0.81 0.00 0.00 175.30 174.72 3mj1 s TYR 535 N 2.06 3.41 0.21 5.12 1.51 -1.26 -4.21 117.35 124.20 3mj1 s TYR 535 Ca 0.30 1.02 -0.23 0.00 -1.01 0.00 0.00 57.07 57.16 3mj1 s TYR 535 Cb -0.06 -2.38 0.06 0.00 -0.11 0.00 0.00 41.96 39.47 3mj1 s TYR 535 CO -0.09 0.21 0.92 -1.54 -1.11 0.00 0.00 175.55 173.94 3mj1 s SER 536 N -2.29 -0.13 0.56 2.29 1.04 -1.26 -4.95 113.70 108.96 3mj1 s SER 536 Ca 0.50 -0.59 0.24 0.00 0.48 0.00 0.00 55.95 56.58 3mj1 s SER 536 Cb -0.11 0.57 1.55 0.00 0.10 0.00 0.00 66.02 68.13 3mj1 s SER 536 CO 0.20 -1.09 2.16 0.28 0.98 0.00 0.00 173.24 175.77 3mj1 h SER 537 N 2.00 0.00 0.71 7.02 0.02 -1.97 -1.82 113.55 119.50 3mj1 h SER 537 Ca -0.25 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.60 3mj1 h SER 537 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 3mj1 h SER 537 CO 0.29 0.00 -0.48 0.11 -1.14 0.00 0.00 176.83 175.61 3mj1 h LYS 538 N 0.00 0.00 -0.07 3.45 1.79 -1.92 -0.19 116.57 119.63 3mj1 h LYS 538 Ca 0.04 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.33 3mj1 h LYS 538 Cb 0.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3mj1 h LYS 538 CO -0.00 0.48 -0.72 0.66 -1.08 0.00 0.00 179.45 178.79 3mj1 h SER 539 N 0.00 0.43 -0.44 0.86 4.64 -1.67 -2.71 113.55 114.65 3mj1 h SER 539 Ca -0.00 -0.28 -0.03 0.00 -0.47 0.00 0.00 61.79 61.01 3mj1 h SER 539 Cb 0.96 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 3mj1 h SER 539 CO 0.06 1.01 0.18 0.44 -0.87 0.00 0.00 176.83 177.65 3mj1 h ASP 540 N 0.25 0.65 -0.33 4.97 3.32 -1.02 -2.58 116.42 121.68 3mj1 h ASP 540 Ca -0.03 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3mj1 h ASP 540 Cb 1.28 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3mj1 h ASP 540 CO 0.12 0.59 0.19 0.58 -1.72 0.00 0.00 179.24 179.01 3mj1 h VAL 541 N 0.70 1.11 -0.17 -1.35 2.07 -0.84 0.63 116.25 118.41 3mj1 h VAL 541 Ca 0.17 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.47 3mj1 h VAL 541 Cb 0.16 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 3mj1 h VAL 541 CO -0.01 0.11 -0.30 -0.25 0.02 0.00 0.00 177.57 177.14 3mj1 h TRP 542 N 0.42 -0.82 -0.77 1.57 2.91 -1.30 -0.95 115.95 117.01 3mj1 h TRP 542 Ca 0.12 0.04 0.11 0.00 1.13 0.00 0.00 58.89 60.28 3mj1 h TRP 542 Cb 0.02 0.39 -0.08 0.00 -0.51 0.00 0.00 29.16 28.97 3mj1 h TRP 542 CO -0.04 -0.38 0.40 0.77 -1.03 0.00 0.00 178.44 178.16 3mj1 h SER 543 N -0.35 0.52 -0.41 2.65 0.02 -1.09 -0.62 113.55 114.27 3mj1 h SER 543 Ca 0.11 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3mj1 h SER 543 Cb 0.52 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3mj1 h SER 543 CO -0.37 0.27 0.27 0.15 -1.14 0.00 0.00 176.83 176.01 3mj1 h PHE 544 N 0.64 0.52 -0.48 3.45 3.57 -0.05 0.96 116.94 125.55 3mj1 h PHE 544 Ca 0.39 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.88 3mj1 h PHE 544 Cb 0.45 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3mj1 h PHE 544 CO -0.10 0.33 0.19 0.78 -2.23 0.00 0.00 178.31 177.29 3mj1 h GLY 545 N 0.57 0.77 0.99 2.40 0.00 0.19 0.16 103.07 108.15 3mj1 h GLY 545 Ca 0.15 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3mj1 h GLY 545 CO -0.03 0.40 0.20 -2.08 0.00 0.00 0.00 176.54 175.03 3mj1 h VAL 546 N 0.64 1.23 -0.84 4.60 2.07 -0.74 -1.90 116.25 121.31 3mj1 h VAL 546 Ca 0.16 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.95 3mj1 h VAL 546 Cb 0.20 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 3mj1 h VAL 546 CO -0.01 0.28 0.55 0.25 0.02 0.00 0.00 177.57 178.66 3mj1 h LEU 547 N 0.78 0.93 -0.81 2.57 6.46 -0.61 0.51 115.31 125.15 3mj1 h LEU 547 Ca 0.19 -0.02 0.08 0.00 -0.12 0.00 0.00 57.88 58.01 3mj1 h LEU 547 Cb 0.24 -0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 39.88 3mj1 h LEU 547 CO -0.01 0.66 0.47 0.24 -0.62 0.00 0.00 178.44 179.17 3mj1 h MET 548 N 1.09 0.79 -0.34 1.25 2.86 -0.40 0.92 114.93 121.09 3mj1 h MET 548 Ca 0.32 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.88 3mj1 h MET 548 Cb -0.07 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.40 3mj1 h MET 548 CO -0.09 0.52 0.11 2.35 1.06 0.00 0.00 176.91 180.86 3mj1 h TRP 549 N 0.81 0.55 -0.36 -0.22 7.01 -0.50 -0.27 115.95 122.97 3mj1 h TRP 549 Ca 0.38 -0.06 0.06 0.00 2.11 0.00 0.00 58.89 61.38 3mj1 h TRP 549 Cb 0.30 -0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.14 3mj1 h TRP 549 CO -0.06 0.55 0.02 0.93 -2.79 0.00 0.00 178.44 177.09 3mj1 h GLU 550 N 0.40 0.12 0.50 2.65 5.08 -0.37 0.22 114.58 123.17 3mj1 h GLU 550 Ca 0.11 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3mj1 h GLU 550 Cb 0.25 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3mj1 h GLU 550 CO -0.00 0.08 -0.24 0.28 -1.00 0.00 0.00 179.01 178.13 3mj1 h VAL 551 N 0.12 0.51 0.00 3.13 2.07 -0.57 0.92 116.25 122.44 3mj1 h VAL 551 Ca 0.17 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3mj1 h VAL 551 Cb 0.23 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3mj1 h VAL 551 CO -0.28 0.01 -0.04 -0.26 0.02 0.00 0.00 177.57 177.03 3mj1 h PHE 552 N -0.71 0.00 -0.35 1.57 -1.00 -0.97 -1.62 116.94 113.86 3mj1 h PHE 552 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 3mj1 h PHE 552 Cb 0.53 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.09 3mj1 h PHE 552 CO -0.03 0.04 0.00 -1.13 -1.61 0.00 0.00 178.31 175.57 3mj1 n SER 553 N -3.17 2.23 -3.64 2.17 3.41 0.06 -4.27 113.62 110.40 3mj1 n SER 553 Ca -0.00 -1.91 -0.22 0.00 -0.26 0.00 0.00 58.87 56.48 3mj1 n SER 553 Cb 0.29 -0.23 0.05 0.00 -0.26 0.00 0.00 64.21 64.06 3mj1 n SER 553 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mj1 n GLU 554 N 0.70 -5.87 -0.69 4.33 1.02 -0.61 -3.20 120.64 116.31 3mj1 n GLU 554 Ca 0.15 0.71 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 3mj1 n GLU 554 Cb 0.38 -5.51 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 3mj1 n GLU 554 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mj1 n GLY 555 N -1.52 0.62 3.71 0.62 0.00 0.27 -3.87 105.19 105.03 3mj1 n GLY 555 Ca -0.21 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 3mj1 n GLY 555 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mj1 n LYS 556 N -2.69 1.02 -2.83 1.61 5.02 -1.20 -4.81 118.16 114.29 3mj1 n LYS 556 Ca 0.00 0.40 -0.42 0.00 -2.02 0.00 0.00 58.31 56.28 3mj1 n LYS 556 Cb 0.00 -2.49 -0.04 0.00 -0.02 0.00 0.00 35.03 32.49 3mj1 n LYS 556 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3mj1 s ILE 557 N -1.45 4.82 0.50 -0.18 1.01 -1.26 -4.74 121.20 119.90 3mj1 s ILE 557 Ca 0.81 1.72 -0.23 0.00 0.00 0.00 0.00 60.65 62.96 3mj1 s ILE 557 Cb -0.38 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 37.85 3mj1 s ILE 557 CO 0.42 -0.04 1.34 -2.16 0.00 0.00 0.00 174.94 174.50 3mj1 s PRO 558 N 2.54 3.44 -1.44 2.79 0.04 -1.26 -3.16 135.00 137.95 3mj1 s PRO 558 Ca 0.39 2.21 -0.02 0.00 0.04 0.00 0.00 61.00 63.62 3mj1 s PRO 558 Cb -0.16 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.95 3mj1 s PRO 558 CO 0.10 -0.94 0.29 0.66 0.04 0.00 0.00 177.00 177.15 3mj1 n TYR 559 N -0.63 -1.51 -2.36 0.56 4.02 -1.26 -4.80 117.16 111.19 3mj1 n TYR 559 Ca 0.08 0.66 -0.37 0.00 -0.01 0.00 0.00 57.90 58.26 3mj1 n TYR 559 Cb 0.44 -3.36 -0.03 0.00 -0.02 0.00 0.00 39.34 36.37 3mj1 n TYR 559 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3mj1 n GLU 560 N -4.48 2.51 -3.62 -0.72 2.13 -1.19 -4.81 120.64 110.46 3mj1 n GLU 560 Ca -0.30 -2.93 -0.03 0.00 0.66 0.00 0.00 57.16 54.55 3mj1 n GLU 560 Cb 0.68 -3.60 -0.02 0.00 0.27 0.00 0.00 31.44 28.77 3mj1 n GLU 560 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3mj1 s ARG 562 N 5.20 0.18 0.80 5.31 0.52 -1.26 -5.16 118.95 124.53 3mj1 s ARG 562 Ca 0.60 -0.05 -0.11 0.00 -0.52 0.00 0.00 55.73 55.66 3mj1 s ARG 562 Cb 0.02 0.08 0.07 0.00 0.52 0.00 0.00 34.95 35.64 3mj1 s ARG 562 CO 0.10 -0.07 1.09 -1.54 0.02 0.00 0.00 175.30 174.90 3mj1 s SER 563 N -1.87 4.41 0.18 0.23 1.04 -1.26 -4.81 113.70 111.62 3mj1 s SER 563 Ca 0.10 1.49 -0.13 0.00 0.48 0.00 0.00 55.95 57.89 3mj1 s SER 563 Cb -0.01 -2.24 0.18 0.00 0.10 0.00 0.00 66.02 64.06 3mj1 s SER 563 CO -0.04 -2.05 1.73 0.78 0.98 0.00 0.00 173.24 174.65 3mj1 h ASN 564 N -1.14 0.10 -0.71 7.02 4.21 -1.99 -0.45 115.58 122.61 3mj1 h ASN 564 Ca -0.46 0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.12 3mj1 h ASN 564 Cb 1.25 0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 38.50 3mj1 h ASN 564 CO 0.56 0.08 0.45 0.77 -1.29 0.00 0.00 177.43 178.00 3mj1 h SER 565 N 0.30 0.84 0.03 5.81 4.64 -1.99 -0.97 113.55 122.20 3mj1 h SER 565 Ca 0.24 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.32 3mj1 h SER 565 Cb 0.29 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3mj1 h SER 565 CO -0.28 0.63 -0.79 -0.33 -0.87 0.00 0.00 176.83 175.19 3mj1 h GLU 566 N 0.98 0.64 -0.44 4.77 5.08 -1.74 -2.21 114.58 121.66 3mj1 h GLU 566 Ca 0.26 -0.54 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 3mj1 h GLU 566 Cb -0.07 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3mj1 h GLU 566 CO -0.05 1.15 -0.07 0.28 -1.00 0.00 0.00 179.01 179.32 3mj1 h VAL 567 N 0.43 1.27 -0.29 3.13 2.07 -0.85 0.11 116.25 122.13 3mj1 h VAL 567 Ca -0.05 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.37 3mj1 h VAL 567 Cb 1.40 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 3mj1 h VAL 567 CO 0.15 0.40 -0.10 0.58 0.02 0.00 0.00 177.57 178.62 3mj1 h VAL 568 N 0.65 0.65 0.00 2.57 2.07 -1.19 -0.66 116.25 120.34 3mj1 h VAL 568 Ca 0.11 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.50 3mj1 h VAL 568 Cb 0.59 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3mj1 h VAL 568 CO 0.04 0.00 -0.63 -0.08 0.02 0.00 0.00 177.57 176.92 3mj1 h GLU 569 N -0.04 0.00 0.53 1.57 4.81 -1.18 -0.15 114.58 120.12 3mj1 h GLU 569 Ca 0.14 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3mj1 h GLU 569 Cb 0.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.64 3mj1 h GLU 569 CO -0.32 0.63 -0.25 -0.44 -0.73 0.00 0.00 179.01 177.89 3mj1 h ASP 570 N 0.00 -0.60 -0.52 1.04 3.45 -0.48 -3.06 116.42 116.25 3mj1 h ASP 570 Ca -0.01 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.38 3mj1 h ASP 570 Cb 1.12 0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 40.03 3mj1 h ASP 570 CO 0.08 -0.33 0.18 0.40 -1.57 0.00 0.00 179.24 178.00 3mj1 h ILE 571 N -0.84 1.23 -0.52 0.35 1.08 -1.06 -1.71 117.51 116.03 3mj1 h ILE 571 Ca -0.07 -0.74 0.15 0.00 -0.39 0.00 0.00 64.86 63.81 3mj1 h ILE 571 Cb 0.60 0.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 3mj1 h ILE 571 CO 0.12 0.28 0.39 0.28 -0.69 0.00 0.00 178.15 178.53 3mj1 h SER 572 N 0.71 0.00 -0.02 1.72 0.02 -1.09 -2.42 113.55 112.47 3mj1 h SER 572 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3mj1 h SER 572 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3mj1 h SER 572 CO -0.01 0.00 -0.41 0.35 -1.14 0.00 0.00 176.83 175.62 3mj1 n THR 573 N -4.29 0.00 0.00 -2.27 -2.24 -1.01 -4.98 114.28 99.49 3mj1 n THR 573 Ca 0.10 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3mj1 n THR 573 Cb 0.61 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 3mj1 n THR 573 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mj1 n GLY 574 N 1.37 0.93 3.76 3.38 0.00 -0.91 -5.09 105.19 108.63 3mj1 n GLY 574 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3mj1 n GLY 574 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mj1 s PHE 575 N -2.00 2.80 0.05 1.61 5.36 -0.68 -5.00 117.98 120.13 3mj1 s PHE 575 Ca 0.00 1.11 0.03 0.00 -0.96 0.00 0.00 56.93 57.11 3mj1 s PHE 575 Cb 0.00 -3.92 -0.02 0.00 -0.34 0.00 0.00 43.02 38.73 3mj1 s PHE 575 CO 0.00 -2.82 -0.09 1.03 -1.46 0.00 0.00 175.22 171.87 3mj1 s ARG 576 N -1.36 0.60 0.20 10.12 1.81 -1.26 -4.34 118.95 124.72 3mj1 s ARG 576 Ca 0.55 -0.79 -0.33 0.00 -1.72 0.00 0.00 55.73 53.45 3mj1 s ARG 576 Cb -0.44 -0.43 -0.13 0.00 -0.45 0.00 0.00 34.95 33.49 3mj1 s ARG 576 CO 0.54 0.08 1.51 1.28 -0.68 0.00 0.00 175.30 178.04 3mj1 n LEU 577 N 1.46 3.20 -4.77 2.53 4.77 -1.26 -4.96 117.00 117.97 3mj1 n LEU 577 Ca -0.22 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.56 3mj1 n LEU 577 Cb 0.55 -1.44 0.10 0.00 -2.33 0.00 0.00 43.42 40.29 3mj1 n LEU 577 CO 0.21 -0.33 0.69 -0.31 -1.33 0.00 0.00 177.39 176.32 3mj1 s TYR 578 N 0.47 2.61 0.08 -1.77 1.51 -1.26 -4.97 117.35 114.02 3mj1 s TYR 578 Ca 0.74 1.44 -0.31 0.00 -1.01 0.00 0.00 57.07 57.92 3mj1 s TYR 578 Cb -0.65 -3.06 -0.07 0.00 -0.11 0.00 0.00 41.96 38.07 3mj1 s TYR 578 CO 0.43 -1.86 1.36 0.21 -1.11 0.00 0.00 175.55 174.58 3mj1 s LYS 579 N -4.95 4.33 0.49 -0.62 2.20 -1.26 -5.02 119.74 114.92 3mj1 s LYS 579 Ca 0.61 2.00 -0.21 0.00 -0.36 0.00 0.00 55.97 58.01 3mj1 s LYS 579 Cb -0.17 -3.34 -0.07 0.00 -1.51 0.00 0.00 37.83 32.74 3mj1 s LYS 579 CO 0.56 -0.44 1.13 -2.14 -0.36 0.00 0.00 175.35 174.10 3mj1 s PRO 580 N 1.42 3.62 0.25 4.03 0.02 -1.26 -4.95 135.00 138.13 3mj1 s PRO 580 Ca 0.63 1.65 -0.02 0.00 0.02 0.00 0.00 61.00 63.28 3mj1 s PRO 580 Cb -0.34 -2.22 0.50 0.00 0.02 0.00 0.00 34.50 32.46 3mj1 s PRO 580 CO 0.29 -0.63 1.74 -0.09 -0.33 0.00 0.00 177.00 177.98 3mj1 h ARG 581 N 1.68 0.49 -0.00 5.54 2.43 -1.95 -1.37 114.38 121.20 3mj1 h ARG 581 Ca -0.50 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3mj1 h ARG 581 Cb 1.25 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3mj1 h ARG 581 CO 0.59 0.32 -0.05 1.28 -1.51 0.00 0.00 179.97 180.60 3mj1 n LEU 582 N -4.96 0.07 -4.69 3.80 4.77 -1.26 -4.73 117.00 110.00 3mj1 n LEU 582 Ca 0.16 0.37 -0.41 0.00 -0.03 0.00 0.00 56.01 56.10 3mj1 n LEU 582 Cb 0.44 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3mj1 n LEU 582 CO 0.19 0.02 0.51 0.00 -1.33 0.00 0.00 177.39 176.77 3mj1 s ALA 583 N -2.86 3.40 0.86 -1.18 0.00 -0.52 -4.78 121.76 116.68 3mj1 s ALA 583 Ca 0.18 0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 3mj1 s ALA 583 Cb 0.19 -3.10 0.10 0.00 0.00 0.00 0.00 23.12 20.32 3mj1 s ALA 583 CO 0.52 -0.35 1.09 -1.54 0.00 0.00 0.00 175.76 175.48 3mj1 s SER 584 N 0.98 3.86 0.29 0.00 1.04 -1.26 -4.80 113.70 113.81 3mj1 s SER 584 Ca 0.39 1.47 0.04 0.00 0.48 0.00 0.00 55.95 58.32 3mj1 s SER 584 Cb -0.18 -2.16 0.69 0.00 0.10 0.00 0.00 66.02 64.47 3mj1 s SER 584 CO 0.17 -2.39 1.76 0.74 0.98 0.00 0.00 173.24 174.49 3mj1 h THR 585 N -1.38 0.66 -0.24 2.02 2.02 -1.97 -0.99 112.91 113.04 3mj1 h THR 585 Ca -0.48 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 3mj1 h THR 585 Cb 1.27 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3mj1 h THR 585 CO 0.56 0.12 -0.01 -0.74 0.37 0.00 0.00 175.52 175.81 3mj1 h HIS 586 N 0.65 0.47 -0.93 3.16 -0.00 -2.00 -2.51 115.15 113.99 3mj1 h HIS 586 Ca 0.55 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.84 3mj1 h HIS 586 Cb 0.89 -0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 28.13 3mj1 h HIS 586 CO -0.05 0.62 0.60 0.28 -0.00 0.00 0.00 177.93 179.38 3mj1 h VAL 587 N 0.19 1.25 -0.11 5.26 2.07 -1.78 -2.50 116.25 120.62 3mj1 h VAL 587 Ca 0.07 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 3mj1 h VAL 587 Cb 0.44 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3mj1 h VAL 587 CO 0.02 0.25 -0.30 0.22 0.02 0.00 0.00 177.57 177.77 3mj1 h TYR 588 N 1.28 0.23 -0.16 1.57 3.20 -1.07 -0.66 116.97 121.35 3mj1 h TYR 588 Ca 0.34 -0.05 -0.17 0.00 3.14 0.00 0.00 58.73 61.99 3mj1 h TYR 588 Cb -0.11 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 3mj1 h TYR 588 CO -0.00 0.49 -0.61 -0.56 -1.64 0.00 0.00 178.16 175.84 3mj1 h GLN 589 N 0.18 0.56 -0.22 1.82 -0.00 -1.13 -0.55 115.11 115.76 3mj1 h GLN 589 Ca 0.03 -0.38 0.02 0.00 -0.00 0.00 0.00 58.65 58.32 3mj1 h GLN 589 Cb 0.63 0.06 -0.03 0.00 -0.00 0.00 0.00 27.48 28.14 3mj1 h GLN 589 CO 0.05 1.00 0.07 0.82 -0.00 0.00 0.00 178.83 180.76 3mj1 h ILE 590 N 0.42 0.93 -0.14 1.86 2.04 -1.03 -1.32 117.51 120.27 3mj1 h ILE 590 Ca -0.00 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3mj1 h ILE 590 Cb 1.17 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.94 3mj1 h ILE 590 CO 0.11 0.03 -0.19 0.24 0.00 0.00 0.00 178.15 178.34 3mj1 h MET 591 N 0.17 -0.23 -0.01 2.37 2.86 -0.93 -2.34 114.93 116.82 3mj1 h MET 591 Ca 0.10 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3mj1 h MET 591 Cb 0.08 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 3mj1 h MET 591 CO -0.11 -0.15 -0.03 -0.91 1.06 0.00 0.00 176.91 176.77 3mj1 h ASN 592 N -0.24 0.01 0.47 1.22 2.35 -0.91 -0.93 115.58 117.55 3mj1 h ASN 592 Ca 0.10 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.76 3mj1 h ASN 592 Cb 0.39 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3mj1 h ASN 592 CO -0.28 0.04 -0.46 -0.74 -1.65 0.00 0.00 177.43 174.34 3mj1 h HIS 593 N 0.01 0.00 0.00 1.19 2.76 -0.73 -2.11 115.15 116.26 3mj1 h HIS 593 Ca 0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 3mj1 h HIS 593 Cb 0.05 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.01 3mj1 h HIS 593 CO 0.00 0.46 -0.13 0.00 -1.30 0.00 0.00 177.93 176.95 3mj1 n TRP 595 N -3.28 1.98 -1.96 0.00 8.01 -0.80 -3.56 117.44 117.82 3mj1 n TRP 595 Ca 0.00 -1.20 -0.41 0.00 -1.31 0.00 0.00 57.50 54.58 3mj1 n TRP 595 Cb 0.38 -0.59 -0.02 0.00 -2.01 0.00 0.00 31.31 29.07 3mj1 n TRP 595 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 3mj1 s LYS 596 N -3.00 4.24 0.20 -0.99 -0.14 -1.18 -4.92 119.74 113.95 3mj1 s LYS 596 Ca 0.51 2.38 -0.11 0.00 -1.36 0.00 0.00 55.97 57.39 3mj1 s LYS 596 Cb 0.42 -3.05 0.24 0.00 -1.68 0.00 0.00 37.83 33.75 3mj1 s LYS 596 CO 0.11 -0.40 1.72 1.49 -0.76 0.00 0.00 175.35 177.51 3mj1 h GLU 597 N 3.91 0.27 -6.01 1.68 4.81 -1.93 -3.40 114.58 113.90 3mj1 h GLU 597 Ca -0.48 -0.02 -0.56 0.00 -0.13 0.00 0.00 59.36 58.17 3mj1 h GLU 597 Cb 1.23 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 3mj1 h GLU 597 CO 0.70 0.18 0.13 1.03 -0.73 0.00 0.00 179.01 180.32 3mj1 s ARG 598 N -6.12 4.41 0.44 1.92 1.81 -1.26 -4.77 118.95 115.38 3mj1 s ARG 598 Ca -0.13 0.89 0.15 0.00 -1.72 0.00 0.00 55.73 54.92 3mj1 s ARG 598 Cb 0.16 -3.47 1.05 0.00 -0.45 0.00 0.00 34.95 32.25 3mj1 s ARG 598 CO 0.73 -0.00 1.96 -1.35 -0.68 0.00 0.00 175.30 175.97 3mj1 h PRO 599 N 6.87 0.38 0.00 3.54 0.11 -1.93 -0.74 132.00 140.23 3mj1 h PRO 599 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3mj1 h PRO 599 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3mj1 h PRO 599 CO 0.76 0.25 0.00 1.05 -0.21 0.00 0.00 178.00 179.85 3mj1 h GLU 600 N 0.39 0.00 -0.00 1.05 9.09 -1.94 -2.55 114.58 120.62 3mj1 h GLU 600 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.71 3mj1 h GLU 600 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 3mj1 h GLU 600 CO -0.08 0.00 -0.49 -0.25 0.05 0.00 0.00 179.01 178.24 3mj1 n ASP 601 N -2.89 0.78 -4.82 3.06 8.00 -0.29 -4.90 116.55 115.50 3mj1 n ASP 601 Ca 0.00 -0.58 -0.36 0.00 0.71 0.00 0.00 54.79 54.56 3mj1 n ASP 601 Cb 0.25 0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 3mj1 n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3mj1 s ARG 602 N -2.83 4.20 0.48 -1.24 0.52 -0.96 -4.88 118.95 114.24 3mj1 s ARG 602 Ca 0.15 0.79 -0.21 0.00 -0.52 0.00 0.00 55.73 55.94 3mj1 s ARG 602 Cb 0.18 -2.91 -0.08 0.00 0.52 0.00 0.00 34.95 32.66 3mj1 s ARG 602 CO 0.66 0.42 1.07 -1.25 0.02 0.00 0.00 175.30 176.22 3mj1 s PRO 603 N -1.92 3.76 0.73 3.54 0.04 -1.26 -5.03 135.00 134.85 3mj1 s PRO 603 Ca 0.41 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 3mj1 s PRO 603 Cb -0.17 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.25 3mj1 s PRO 603 CO 0.21 -0.49 1.08 0.00 0.04 0.00 0.00 177.00 177.84 3mj1 s ALA 604 N -1.86 2.47 0.45 8.56 0.00 -1.26 -4.83 121.76 125.30 3mj1 s ALA 604 Ca 0.67 0.20 0.13 0.00 0.00 0.00 0.00 51.96 52.96 3mj1 s ALA 604 Cb -0.20 -3.23 1.06 0.00 0.00 0.00 0.00 23.12 20.75 3mj1 s ALA 604 CO 0.23 -1.47 2.05 0.74 0.00 0.00 0.00 175.76 177.32 3mj1 h PHE 605 N -0.84 0.33 -0.68 0.00 -1.00 -1.91 -0.93 116.94 111.91 3mj1 h PHE 605 Ca -0.44 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.39 3mj1 h PHE 605 Cb 1.22 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 40.62 3mj1 h PHE 605 CO 0.60 0.18 0.40 0.66 -1.61 0.00 0.00 178.31 178.54 3mj1 h SER 606 N 0.33 0.62 -0.15 2.17 4.64 -1.92 0.01 113.55 119.27 3mj1 h SER 606 Ca 0.16 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 3mj1 h SER 606 Cb 0.23 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3mj1 h SER 606 CO -0.04 0.42 -0.36 0.03 -0.87 0.00 0.00 176.83 176.01 3mj1 h ARG 607 N 0.76 0.50 -0.98 4.77 2.47 -1.58 -3.01 114.38 117.32 3mj1 h ARG 607 Ca 0.29 -0.35 0.12 0.00 -1.26 0.00 0.00 59.98 58.78 3mj1 h ARG 607 Cb 0.11 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.40 3mj1 h ARG 607 CO -0.15 0.96 0.62 -0.07 0.56 0.00 0.00 179.97 181.90 3mj1 h LEU 608 N 0.12 0.89 -0.50 3.04 3.38 -1.06 -1.80 115.31 119.37 3mj1 h LEU 608 Ca -0.00 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3mj1 h LEU 608 Cb 0.97 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3mj1 h LEU 608 CO 0.08 0.48 0.15 0.25 0.09 0.00 0.00 178.44 179.49 3mj1 h LEU 609 N 0.96 0.74 -0.65 1.67 5.85 -0.93 0.16 115.31 123.10 3mj1 h LEU 609 Ca 0.48 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3mj1 h LEU 609 Cb 0.49 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3mj1 h LEU 609 CO -0.24 0.76 0.43 0.03 -0.34 0.00 0.00 178.44 179.08 3mj1 h ARG 610 N 0.69 0.87 -0.32 1.25 -0.00 -1.30 -0.80 114.38 114.77 3mj1 h ARG 610 Ca 0.16 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.98 59.53 3mj1 h ARG 610 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 30.05 3mj1 h ARG 610 CO -0.00 0.58 -0.02 1.96 0.00 0.00 0.00 179.97 182.49 3mj1 h GLN 611 N 0.89 0.57 -0.38 0.04 4.20 -0.90 -1.83 115.11 117.70 3mj1 h GLN 611 Ca 0.24 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 3mj1 h GLN 611 Cb -0.09 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3mj1 h GLN 611 CO -0.05 0.72 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.55 3mj1 h LEU 612 N 0.37 0.74 -1.17 1.46 3.38 -0.60 -2.82 115.31 116.66 3mj1 h LEU 612 Ca 0.09 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3mj1 h LEU 612 Cb 0.47 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3mj1 h LEU 612 CO 0.02 0.94 -0.31 0.00 0.09 0.00 0.00 178.44 179.18 3mj1 h ALA 613 N 1.12 1.10 0.00 1.53 0.00 -1.09 -3.15 119.26 118.77 3mj1 h ALA 613 Ca 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3mj1 h ALA 613 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3mj1 h ALA 613 CO 0.05 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3mj1 n ALA 614 N -2.30 2.20 1.90 0.00 0.00 -0.69 -5.09 120.51 116.53 3mj1 n ALA 614 Ca -0.01 -0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.49 3mj1 n ALA 614 Cb 0.44 -1.42 0.90 0.00 0.00 0.00 0.00 19.45 19.37 3mj1 n ALA 614 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61