#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm2 s ILE 358 N 0.00 4.94 -0.19 1.55 1.01 -1.26 -3.00 121.20 124.26 1sm2 s ILE 358 Ca 0.00 1.16 -0.12 0.00 0.00 0.00 0.00 60.65 61.69 1sm2 s ILE 358 Cb 0.00 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 1sm2 s ILE 358 CO 0.00 0.43 0.23 -0.62 0.00 0.00 0.00 174.94 174.98 1sm2 s ASP 359 N -0.25 6.32 -0.12 3.58 -1.08 0.16 -4.91 116.67 120.37 1sm2 s ASP 359 Ca 0.29 0.36 -0.28 0.00 -0.52 0.00 0.00 52.55 52.41 1sm2 s ASP 359 Cb -0.18 -2.14 -0.24 0.00 -1.46 0.00 0.00 42.92 38.90 1sm2 s ASP 359 CO 0.16 0.11 0.83 1.55 0.52 0.00 0.00 175.17 178.34 1sm2 h PRO 360 N 6.81 -0.00 0.00 4.34 0.13 -1.95 -3.38 132.00 137.94 1sm2 h PRO 360 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1sm2 h PRO 360 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1sm2 h PRO 360 CO 0.75 0.88 0.00 -1.13 -0.23 0.00 0.00 178.00 178.26 1sm2 n SER 361 N -4.66 0.00 -0.71 1.44 3.41 -1.26 -4.72 113.62 107.13 1sm2 n SER 361 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1sm2 n SER 361 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1sm2 n SER 361 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sm2 n GLU 362 N 0.00 0.49 -4.14 4.33 1.02 -1.26 -4.70 120.64 116.38 1sm2 n GLU 362 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1sm2 n GLU 362 Cb 0.00 -1.25 -0.11 0.00 -0.02 0.00 0.00 31.44 30.06 1sm2 n GLU 362 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sm2 s LEU 363 N 0.00 3.60 -0.21 -4.62 1.43 -1.26 -1.37 118.68 116.25 1sm2 s LEU 363 Ca 0.00 -0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.02 1sm2 s LEU 363 Cb 0.00 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1sm2 s LEU 363 CO 0.00 0.16 0.06 -0.89 0.23 0.00 0.00 176.35 175.92 1sm2 s THR 364 N 0.41 4.50 -0.18 5.49 2.01 -0.66 -4.96 115.64 122.25 1sm2 s THR 364 Ca 0.01 -0.12 -0.16 0.00 0.31 0.00 0.00 61.69 61.72 1sm2 s THR 364 Cb -0.13 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1sm2 s THR 364 CO 0.01 0.40 0.40 -0.36 -0.69 0.00 0.00 174.62 174.38 1sm2 s PHE 365 N 1.00 3.42 0.00 4.92 0.40 -1.26 -1.81 117.98 124.66 1sm2 s PHE 365 Ca 0.04 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 57.04 1sm2 s PHE 365 Cb -0.14 -2.50 0.00 0.00 0.51 0.00 0.00 43.02 40.89 1sm2 s PHE 365 CO 0.03 0.08 0.00 0.28 0.70 0.00 0.00 175.22 176.30 1sm2 n VAL 366 N 4.05 0.00 -4.24 -0.44 0.31 0.13 -4.99 118.33 113.15 1sm2 n VAL 366 Ca -0.09 0.15 -0.16 0.00 -0.01 0.00 0.00 64.34 64.24 1sm2 n VAL 366 Cb 0.51 -1.07 -0.11 0.00 -0.91 0.00 0.00 33.84 32.27 1sm2 n VAL 366 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1sm2 s GLN 367 N -0.45 1.02 0.07 5.55 -1.52 -1.11 -4.90 119.66 118.32 1sm2 s GLN 367 Ca 0.00 -1.33 -0.28 0.00 -1.95 0.00 0.00 55.36 51.80 1sm2 s GLN 367 Cb 0.00 -0.72 -0.05 0.00 -0.22 0.00 0.00 33.01 32.02 1sm2 s GLN 367 CO 0.00 0.11 0.90 -2.00 -0.25 0.00 0.00 175.29 174.05 1sm2 s GLU 368 N -3.20 4.61 0.00 2.91 2.12 -1.26 0.99 118.70 124.87 1sm2 s GLU 368 Ca 0.12 1.31 0.00 0.00 0.36 0.00 0.00 54.97 56.77 1sm2 s GLU 368 Cb -0.01 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.99 1sm2 s GLU 368 CO 0.02 0.18 0.08 0.44 -0.54 0.00 0.00 175.26 175.44 1sm2 n ILE 369 N 3.02 0.01 -3.57 -3.70 -5.35 0.78 -4.88 119.36 105.66 1sm2 n ILE 369 Ca 0.01 -0.06 -0.07 0.00 -0.27 0.00 0.00 62.75 62.36 1sm2 n ILE 369 Cb 0.50 1.84 -0.02 0.00 -1.74 0.00 0.00 39.64 40.22 1sm2 n ILE 369 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1sm2 s GLY 370 N -0.01 -0.40 0.15 3.28 0.00 -1.14 -4.94 107.32 104.27 1sm2 s GLY 370 Ca 0.00 0.75 -0.06 0.00 0.00 0.00 0.00 44.72 45.41 1sm2 s GLY 370 CO 0.00 0.24 0.34 -1.14 0.00 0.00 0.00 173.10 172.53 1sm2 n SER 371 N -0.31 -0.91 0.00 1.64 3.41 -1.26 -0.55 113.62 115.63 1sm2 n SER 371 Ca -0.08 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.92 1sm2 n SER 371 Cb 0.62 1.51 0.00 0.00 -0.26 0.00 0.00 64.21 66.08 1sm2 n SER 371 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sm2 n GLY 372 N -0.23 3.40 3.49 5.00 0.00 -1.13 -4.95 105.19 110.78 1sm2 n GLY 372 Ca -0.03 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1sm2 n GLY 372 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sm2 n GLN 373 N 0.00 0.59 0.00 1.61 7.27 -1.26 -2.22 117.38 123.37 1sm2 n GLN 373 Ca 0.00 0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1sm2 n GLN 373 Cb 0.00 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 30.29 1sm2 n GLN 373 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1sm2 n PHE 374 N 11.96 0.00 0.00 3.69 7.35 -1.22 -5.04 117.46 134.20 1sm2 n PHE 374 Ca 0.50 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.19 1sm2 n PHE 374 Cb 0.24 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.07 1sm2 n PHE 374 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1sm2 n GLY 375 N 0.00 1.01 3.98 7.13 0.00 0.59 -4.13 105.19 113.77 1sm2 n GLY 375 Ca 0.00 -2.09 -0.22 0.00 0.00 0.00 0.00 46.02 43.71 1sm2 n GLY 375 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sm2 s LEU 376 N 0.00 2.92 -0.06 0.99 1.43 -1.23 -2.82 118.68 119.90 1sm2 s LEU 376 Ca 0.00 -1.03 0.02 0.00 -1.03 0.00 0.00 54.13 52.10 1sm2 s LEU 376 Cb 0.00 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.81 1sm2 s LEU 376 CO 0.00 -1.25 -0.12 -0.69 0.23 0.00 0.00 176.35 174.52 1sm2 s VAL 377 N -2.72 1.09 0.17 -1.59 1.01 0.29 -1.88 120.40 116.77 1sm2 s VAL 377 Ca 0.50 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 62.13 1sm2 s VAL 377 Cb -0.04 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1sm2 s VAL 377 CO 0.31 0.34 -0.25 -1.00 0.00 0.00 0.00 175.10 174.51 1sm2 s HIS 378 N 0.63 2.32 -0.15 5.22 3.76 0.57 -0.16 115.29 127.48 1sm2 s HIS 378 Ca -0.13 -0.36 -0.20 0.00 -0.15 0.00 0.00 55.06 54.21 1sm2 s HIS 378 Cb -0.15 -1.19 -0.03 0.00 1.11 0.00 0.00 32.58 32.32 1sm2 s HIS 378 CO 0.03 0.44 0.59 -1.17 -0.85 0.00 0.00 174.74 173.79 1sm2 s LEU 379 N -2.45 4.21 0.00 0.89 2.96 0.28 -0.26 118.68 124.31 1sm2 s LEU 379 Ca 0.18 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 54.98 1sm2 s LEU 379 Cb -0.09 -2.86 0.00 0.00 0.50 0.00 0.00 46.19 43.74 1sm2 s LEU 379 CO 0.09 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.56 1sm2 n GLY 380 N 3.53 4.10 2.86 7.98 0.00 -0.06 0.20 105.19 123.79 1sm2 n GLY 380 Ca -0.03 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1sm2 n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sm2 s TYR 381 N -1.86 0.01 -0.28 1.61 1.51 -0.75 -1.28 117.35 116.31 1sm2 s TYR 381 Ca 0.00 0.02 -0.08 0.00 -1.01 0.00 0.00 57.07 56.00 1sm2 s TYR 381 Cb 0.00 -0.04 -0.02 0.00 -0.11 0.00 0.00 41.96 41.79 1sm2 s TYR 381 CO 0.00 -0.01 0.10 -0.46 -1.11 0.00 0.00 175.55 174.07 1sm2 s TRP 382 N 0.15 3.13 -1.00 2.71 -0.00 0.13 -1.65 118.94 122.41 1sm2 s TRP 382 Ca -0.01 -0.52 0.00 0.00 -0.00 0.00 0.00 56.10 55.56 1sm2 s TRP 382 Cb -0.02 -2.28 0.00 0.00 -0.00 0.00 0.00 33.47 31.17 1sm2 s TRP 382 CO -0.00 -0.41 0.00 1.28 -0.00 0.00 0.00 176.95 177.81 1sm2 n LEU 383 N 4.94 -1.18 0.00 5.86 4.77 -0.47 -1.59 117.00 129.34 1sm2 n LEU 383 Ca -0.15 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1sm2 n LEU 383 Cb 0.50 -1.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 1sm2 n LEU 383 CO 0.32 -0.30 0.00 0.59 -1.33 0.00 0.00 177.39 176.67 1sm2 n ASN 384 N 0.12 -4.51 -0.00 -1.43 3.02 -1.26 -4.73 115.26 106.46 1sm2 n ASN 384 Ca -0.12 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.40 1sm2 n ASN 384 Cb 0.49 -3.08 -0.01 0.00 -0.61 0.00 0.00 39.78 36.56 1sm2 n ASN 384 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1sm2 n LYS 385 N 0.13 0.19 -3.19 3.52 3.00 -1.00 -5.03 118.16 115.78 1sm2 n LYS 385 Ca 0.00 0.08 -0.39 0.00 -0.00 0.00 0.00 58.31 58.00 1sm2 n LYS 385 Cb 0.36 -0.83 -0.06 0.00 0.00 0.00 0.00 35.03 34.50 1sm2 n LYS 385 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1sm2 s ASP 386 N -5.95 6.78 -0.05 3.14 1.01 -0.62 -4.86 116.67 116.13 1sm2 s ASP 386 Ca -0.11 0.93 -0.30 0.00 0.71 0.00 0.00 52.55 53.79 1sm2 s ASP 386 Cb 0.01 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 1sm2 s ASP 386 CO 0.16 -0.09 1.16 -0.75 0.21 0.00 0.00 175.17 175.85 1sm2 s LYS 387 N 0.94 4.38 0.21 8.23 2.20 -1.26 0.21 119.74 134.65 1sm2 s LYS 387 Ca 0.30 1.62 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 1sm2 s LYS 387 Cb -0.16 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 1sm2 s LYS 387 CO 0.13 -0.39 0.08 0.14 -0.36 0.00 0.00 175.35 174.96 1sm2 s VAL 388 N 2.01 0.37 -0.18 4.02 -7.23 -0.41 -2.81 120.40 116.17 1sm2 s VAL 388 Ca 0.55 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1sm2 s VAL 388 Cb -0.24 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.28 1sm2 s VAL 388 CO 0.22 -0.14 -0.17 0.00 -0.31 0.00 0.00 175.10 174.70 1sm2 s ALA 389 N -3.89 2.43 -0.26 1.32 0.00 -0.22 -0.89 121.76 120.26 1sm2 s ALA 389 Ca 0.34 -1.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 1sm2 s ALA 389 Cb 0.07 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1sm2 s ALA 389 CO 0.10 -0.28 0.10 0.42 0.00 0.00 0.00 175.76 176.10 1sm2 s ILE 390 N 1.20 4.58 -0.46 0.00 1.01 0.64 -0.43 121.20 127.74 1sm2 s ILE 390 Ca 0.02 -0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.43 1sm2 s ILE 390 Cb -0.14 -3.16 0.06 0.00 0.01 0.00 0.00 42.46 39.23 1sm2 s ILE 390 CO -0.08 0.31 0.42 -0.75 0.00 0.00 0.00 174.94 174.84 1sm2 s LYS 391 N 1.65 3.01 0.51 2.79 2.47 -0.22 -0.32 119.74 129.64 1sm2 s LYS 391 Ca 0.07 -1.20 -0.00 0.00 -1.56 0.00 0.00 55.97 53.28 1sm2 s LYS 391 Cb -0.15 -4.09 0.01 0.00 -1.46 0.00 0.00 37.83 32.14 1sm2 s LYS 391 CO 0.06 -1.00 0.75 0.95 0.16 0.00 0.00 175.35 176.26 1sm2 s THR 392 N 1.83 3.40 -0.00 3.43 -4.23 -0.79 -1.00 115.64 118.27 1sm2 s THR 392 Ca 0.06 -0.49 -0.00 0.00 -1.18 0.00 0.00 61.69 60.08 1sm2 s THR 392 Cb -0.22 -3.28 -0.00 0.00 1.34 0.00 0.00 72.50 70.34 1sm2 s THR 392 CO 0.08 -0.21 -0.01 -0.38 -0.54 0.00 0.00 174.62 173.57 1sm2 n ILE 393 N -2.27 0.05 0.00 2.99 2.08 -0.72 -3.44 119.36 118.04 1sm2 n ILE 393 Ca 0.04 0.49 0.00 0.00 0.56 0.00 0.00 62.75 63.84 1sm2 n ILE 393 Cb 0.59 -1.53 0.00 0.00 -0.75 0.00 0.00 39.64 37.95 1sm2 n ILE 393 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1sm2 n ARG 394 N -2.35 0.00 0.00 0.38 5.12 -1.26 0.22 116.66 118.77 1sm2 n ARG 394 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1sm2 n ARG 394 Cb 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.31 1sm2 n ARG 394 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1sm2 n GLU 395 N 0.00 0.00 -1.19 5.56 0.00 -1.26 -4.90 120.64 118.85 1sm2 n GLU 395 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.01 1sm2 n GLU 395 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 31.44 31.58 1sm2 n GLU 395 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sm2 n GLY 396 N 0.93 5.35 0.11 8.31 0.00 -1.26 -4.61 105.19 114.02 1sm2 n GLY 396 Ca 0.00 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 1sm2 n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm2 h ALA 397 N 1.41 0.17 -3.05 4.61 0.00 -1.90 -3.45 119.26 117.04 1sm2 h ALA 397 Ca 0.35 -0.86 -0.20 0.00 0.00 0.00 0.00 54.91 54.20 1sm2 h ALA 397 Cb 1.60 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 19.07 1sm2 h ALA 397 CO 0.72 0.98 -0.49 -1.64 0.00 0.00 0.00 179.25 178.81 1sm2 s MET 398 N -2.76 0.20 0.58 0.00 -1.94 -1.26 -4.90 119.30 109.21 1sm2 s MET 398 Ca -0.04 0.50 -0.20 0.00 -1.71 0.00 0.00 55.69 54.25 1sm2 s MET 398 Cb 0.08 -0.12 -0.05 0.00 2.01 0.00 0.00 34.83 36.75 1sm2 s MET 398 CO 0.87 -0.16 1.14 0.45 -0.01 0.00 0.00 175.02 177.31 1sm2 n SER 399 N 4.18 1.60 -0.30 3.03 2.88 -1.26 -4.75 113.62 118.98 1sm2 n SER 399 Ca -0.25 0.88 0.02 0.00 -1.33 0.00 0.00 58.87 58.19 1sm2 n SER 399 Cb 0.53 -1.47 0.16 0.00 -0.75 0.00 0.00 64.21 62.68 1sm2 n SER 399 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1sm2 h GLU 400 N 0.86 0.86 -0.47 -1.46 5.08 -1.99 -0.75 114.58 116.72 1sm2 h GLU 400 Ca -0.49 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 57.73 1sm2 h GLU 400 Cb 1.34 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1sm2 h GLU 400 CO 0.54 0.57 -0.05 1.05 -1.00 0.00 0.00 179.01 180.12 1sm2 h GLU 401 N 0.89 0.82 0.16 2.33 4.11 -1.98 -0.32 114.58 120.59 1sm2 h GLU 401 Ca 0.39 -0.25 -0.01 0.00 0.07 0.00 0.00 59.36 59.56 1sm2 h GLU 401 Cb 0.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1sm2 h GLU 401 CO -0.21 0.86 -0.07 -0.44 0.07 0.00 0.00 179.01 179.21 1sm2 h ASP 402 N 0.75 -0.18 -0.12 3.06 3.32 -1.52 0.14 116.42 121.87 1sm2 h ASP 402 Ca 0.14 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1sm2 h ASP 402 Cb 0.53 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1sm2 h ASP 402 CO 0.03 -0.05 -0.21 0.15 -1.72 0.00 0.00 179.24 177.43 1sm2 h PHE 403 N -0.29 0.60 -0.06 4.55 3.57 -1.13 -0.82 116.94 123.36 1sm2 h PHE 403 Ca -0.02 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1sm2 h PHE 403 Cb 0.23 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1sm2 h PHE 403 CO -0.04 0.72 -0.00 0.82 -2.23 0.00 0.00 178.31 177.57 1sm2 h ILE 404 N 0.48 1.26 -0.25 1.41 2.04 -0.78 -0.48 117.51 121.20 1sm2 h ILE 404 Ca 0.08 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1sm2 h ILE 404 Cb 0.64 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1sm2 h ILE 404 CO 0.05 0.22 -0.02 -0.08 0.00 0.00 0.00 178.15 178.32 1sm2 h GLU 405 N -0.20 0.37 -0.15 2.37 4.81 -0.67 -1.75 114.58 119.37 1sm2 h GLU 405 Ca 0.02 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1sm2 h GLU 405 Cb 0.35 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1sm2 h GLU 405 CO 0.00 0.41 -0.41 1.49 -0.73 0.00 0.00 179.01 179.77 1sm2 h GLU 406 N 0.36 0.55 -0.70 1.92 4.81 -0.95 -2.97 114.58 117.59 1sm2 h GLU 406 Ca 0.08 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1sm2 h GLU 406 Cb 0.27 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1sm2 h GLU 406 CO 0.01 1.00 0.33 0.00 -0.73 0.00 0.00 179.01 179.62 1sm2 h ALA 407 N 0.54 0.91 -0.28 2.92 0.00 -0.83 -1.58 119.26 120.93 1sm2 h ALA 407 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1sm2 h ALA 407 Cb 1.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1sm2 h ALA 407 CO 0.09 0.48 0.16 0.93 0.00 0.00 0.00 179.25 180.91 1sm2 h GLU 408 N 0.99 0.39 -0.40 0.00 5.08 -1.36 0.21 114.58 119.49 1sm2 h GLU 408 Ca 0.24 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1sm2 h GLU 408 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1sm2 h GLU 408 CO -0.03 0.32 0.12 -0.24 -1.00 0.00 0.00 179.01 178.18 1sm2 h VAL 409 N 0.35 1.22 -0.81 3.13 3.04 -1.40 -1.11 116.25 120.67 1sm2 h VAL 409 Ca 0.10 -0.73 0.06 0.00 -1.01 0.00 0.00 66.70 65.12 1sm2 h VAL 409 Cb 0.04 0.93 -0.06 0.00 -2.01 0.00 0.00 31.29 30.20 1sm2 h VAL 409 CO -0.02 0.26 0.50 -0.03 -1.01 0.00 0.00 177.57 177.26 1sm2 h MET 410 N 0.51 0.88 0.00 4.17 4.05 -1.05 0.22 114.93 123.71 1sm2 h MET 410 Ca 0.13 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1sm2 h MET 410 Cb 0.27 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1sm2 h MET 410 CO -0.00 0.58 0.00 -1.33 0.23 0.00 0.00 176.91 176.39 1sm2 n MET 411 N -4.65 0.17 0.07 0.39 2.00 0.04 -2.02 117.12 113.12 1sm2 n MET 411 Ca 0.11 0.37 -0.05 0.00 0.00 0.00 0.00 57.70 58.14 1sm2 n MET 411 Cb 0.17 -1.81 -0.09 0.00 0.00 0.00 0.00 33.22 31.49 1sm2 n MET 411 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1sm2 h LYS 412 N 0.00 0.00 -5.48 0.03 1.63 0.68 -3.45 116.57 109.98 1sm2 h LYS 412 Ca 0.00 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.21 1sm2 h LYS 412 Cb 0.39 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.91 1sm2 h LYS 412 CO 0.00 0.78 -0.27 -0.51 -3.45 0.00 0.00 179.45 176.01 1sm2 s LEU 413 N -6.52 4.21 -0.16 5.20 1.43 -0.77 -5.08 118.68 116.99 1sm2 s LEU 413 Ca 0.01 0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 53.57 1sm2 s LEU 413 Cb 0.09 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.93 1sm2 s LEU 413 CO 0.80 0.02 0.35 -0.94 0.23 0.00 0.00 176.35 176.82 1sm2 s SER 414 N 0.73 -0.21 0.00 2.29 1.04 -1.26 -4.95 113.70 111.35 1sm2 s SER 414 Ca 0.18 0.80 -0.13 0.00 0.48 0.00 0.00 55.95 57.28 1sm2 s SER 414 Cb -0.14 0.86 0.02 0.00 0.10 0.00 0.00 66.02 66.86 1sm2 s SER 414 CO 0.06 -0.21 0.26 -2.28 0.98 0.00 0.00 173.24 172.06 1sm2 s HIS 415 N 1.95 -0.10 0.66 5.02 5.04 -1.26 -5.04 115.29 121.56 1sm2 s HIS 415 Ca -0.05 0.09 0.40 0.00 -1.54 0.00 0.00 55.06 53.96 1sm2 s HIS 415 Cb -0.11 0.06 2.20 0.00 0.04 0.00 0.00 32.58 34.77 1sm2 s HIS 415 CO -0.11 -0.39 2.25 -1.35 -2.34 0.00 0.00 174.74 172.80 1sm2 h PRO 416 N 3.80 0.00 -0.60 2.88 0.11 -2.00 -1.88 132.00 134.30 1sm2 h PRO 416 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1sm2 h PRO 416 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sm2 h PRO 416 CO 0.42 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.84 1sm2 n LYS 417 N -3.08 2.68 -4.31 1.05 4.76 -1.26 -4.92 118.16 113.08 1sm2 n LYS 417 Ca -0.03 -2.47 -0.30 0.00 -2.87 0.00 0.00 58.31 52.64 1sm2 n LYS 417 Cb 0.16 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.74 1sm2 n LYS 417 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1sm2 s LEU 418 N -1.07 2.91 0.16 -0.35 1.43 -0.71 0.06 118.68 121.11 1sm2 s LEU 418 Ca 0.42 -0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 52.79 1sm2 s LEU 418 Cb 0.22 -1.72 -0.09 0.00 0.03 0.00 0.00 46.19 44.63 1sm2 s LEU 418 CO 0.30 0.19 1.46 -0.69 0.23 0.00 0.00 176.35 177.84 1sm2 s VAL 419 N -1.15 2.93 0.32 -1.59 1.01 -0.69 -4.73 120.40 116.50 1sm2 s VAL 419 Ca 0.19 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.66 1sm2 s VAL 419 Cb -0.11 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 1sm2 s VAL 419 CO 0.11 0.07 0.83 -1.10 0.00 0.00 0.00 175.10 175.01 1sm2 s GLN 420 N 0.75 4.26 -0.09 2.72 -0.21 -1.26 -4.95 119.66 120.88 1sm2 s GLN 420 Ca 0.65 0.98 -0.04 0.00 0.02 0.00 0.00 55.36 56.97 1sm2 s GLN 420 Cb -0.40 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 30.98 1sm2 s GLN 420 CO 0.34 0.21 0.05 -1.17 -2.12 0.00 0.00 175.29 172.60 1sm2 s LEU 421 N -2.51 3.88 -0.14 2.90 2.96 -1.26 -0.47 118.68 124.03 1sm2 s LEU 421 Ca 0.52 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.73 1sm2 s LEU 421 Cb -0.14 -1.93 -0.23 0.00 0.50 0.00 0.00 46.19 44.39 1sm2 s LEU 421 CO 0.19 0.39 0.28 -1.22 -1.32 0.00 0.00 176.35 174.66 1sm2 n TYR 422 N 2.04 0.72 -3.57 5.38 4.02 0.38 -4.87 117.16 121.26 1sm2 n TYR 422 Ca -0.19 0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 1sm2 n TYR 422 Cb 0.54 -1.11 0.00 0.00 -0.02 0.00 0.00 39.34 38.75 1sm2 n TYR 422 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sm2 n GLY 423 N 1.89 -0.69 3.11 2.72 0.00 -1.14 -4.95 105.19 106.13 1sm2 n GLY 423 Ca -0.31 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 1sm2 n GLY 423 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sm2 s VAL 424 N -3.00 0.52 -0.46 1.61 1.01 -1.16 -1.20 120.40 117.73 1sm2 s VAL 424 Ca 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.42 1sm2 s VAL 424 Cb 0.00 -1.21 0.12 0.00 0.00 0.00 0.00 36.38 35.29 1sm2 s VAL 424 CO 0.00 -0.71 0.22 0.00 0.00 0.00 0.00 175.10 174.61 1sm2 n LEU 426 N 3.86 1.89 -1.09 0.00 4.77 -1.26 -2.67 117.00 122.50 1sm2 n LEU 426 Ca 0.04 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1sm2 n LEU 426 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1sm2 n LEU 426 CO 0.30 0.35 0.27 -0.62 -1.33 0.00 0.00 177.39 176.36 1sm2 n GLU 427 N 0.19 0.48 -0.43 3.23 -0.58 -1.26 -4.89 120.64 117.37 1sm2 n GLU 427 Ca 0.08 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.88 1sm2 n GLU 427 Cb 0.38 -1.26 -0.02 0.00 -0.57 0.00 0.00 31.44 29.97 1sm2 n GLU 427 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1sm2 n GLN 428 N 0.88 -0.92 0.00 3.49 1.13 -1.26 -4.97 117.38 115.73 1sm2 n GLN 428 Ca 0.00 0.66 0.00 0.00 -1.94 0.00 0.00 57.00 55.72 1sm2 n GLN 428 Cb 0.24 -1.10 0.00 0.00 0.11 0.00 0.00 30.24 29.49 1sm2 n GLN 428 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sm2 n ALA 429 N -2.29 0.00 -1.67 -1.58 0.00 -1.26 -4.69 120.51 109.01 1sm2 n ALA 429 Ca -0.01 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.89 1sm2 n ALA 429 Cb 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.59 1sm2 n ALA 429 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1sm2 n PRO 430 N -1.19 1.32 -1.95 0.00 -0.04 -1.26 -4.84 135.00 127.05 1sm2 n PRO 430 Ca 0.00 0.48 -0.40 0.00 -0.04 0.00 0.00 63.50 63.54 1sm2 n PRO 430 Cb 0.00 -2.18 -0.00 0.00 -0.04 0.00 0.00 33.50 31.28 1sm2 n PRO 430 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1sm2 s ILE 431 N 2.57 2.38 0.20 0.52 1.01 -1.26 -4.81 121.20 121.81 1sm2 s ILE 431 Ca 0.93 0.36 -0.14 0.00 0.00 0.00 0.00 60.65 61.79 1sm2 s ILE 431 Cb -0.97 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 38.29 1sm2 s ILE 431 CO 0.57 0.07 0.46 0.00 0.00 0.00 0.00 174.94 176.04 1sm2 s LEU 433 N -2.93 2.47 -0.42 0.00 1.02 -0.17 -1.29 118.68 117.37 1sm2 s LEU 433 Ca 0.14 -0.46 -0.15 0.00 0.02 0.00 0.00 54.13 53.68 1sm2 s LEU 433 Cb -0.00 -1.56 0.03 0.00 0.02 0.00 0.00 46.19 44.68 1sm2 s LEU 433 CO 0.01 0.09 0.31 -0.69 0.02 0.00 0.00 176.35 176.10 1sm2 s VAL 434 N 0.76 5.26 0.36 -1.59 1.01 -0.34 -1.05 120.40 124.80 1sm2 s VAL 434 Ca -0.06 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1sm2 s VAL 434 Cb -0.15 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 1sm2 s VAL 434 CO 0.01 -0.35 0.48 -0.36 0.00 0.00 0.00 175.10 174.88 1sm2 s PHE 435 N 1.68 3.01 0.53 5.22 0.40 0.42 0.14 117.98 129.38 1sm2 s PHE 435 Ca 0.05 -0.28 -0.19 0.00 -0.60 0.00 0.00 56.93 55.91 1sm2 s PHE 435 Cb -0.20 -2.08 -0.07 0.00 0.51 0.00 0.00 43.02 41.18 1sm2 s PHE 435 CO 0.10 -0.10 1.06 -1.83 0.70 0.00 0.00 175.22 175.14 1sm2 s GLU 436 N -4.20 3.58 0.05 0.44 -1.05 0.38 -1.05 118.70 116.84 1sm2 s GLU 436 Ca 0.47 1.36 -0.21 0.00 -0.15 0.00 0.00 54.97 56.44 1sm2 s GLU 436 Cb -0.09 -2.06 -0.06 0.00 -0.44 0.00 0.00 34.13 31.48 1sm2 s GLU 436 CO 0.31 -0.62 0.64 0.12 0.95 0.00 0.00 175.26 176.66 1sm2 s PHE 437 N -2.07 3.77 -0.46 4.83 5.36 -1.12 -4.26 117.98 124.01 1sm2 s PHE 437 Ca 0.67 1.33 -0.13 0.00 -0.96 0.00 0.00 56.93 57.84 1sm2 s PHE 437 Cb -0.18 -2.62 0.09 0.00 -0.34 0.00 0.00 43.02 39.97 1sm2 s PHE 437 CO 0.26 0.45 0.36 -1.64 -1.46 0.00 0.00 175.22 173.19 1sm2 s MET 438 N -0.62 2.83 0.00 10.12 -1.94 -1.26 -4.96 119.30 123.47 1sm2 s MET 438 Ca 0.32 -1.46 0.00 0.00 -1.71 0.00 0.00 55.69 52.84 1sm2 s MET 438 Cb -0.20 -4.03 0.00 0.00 2.01 0.00 0.00 34.83 32.61 1sm2 s MET 438 CO 0.20 -1.06 0.71 -1.91 -0.01 0.00 0.00 175.02 172.96 1sm2 n GLU 439 N 5.10 0.00 -0.08 2.03 4.07 -1.25 -2.16 120.64 128.36 1sm2 n GLU 439 Ca -0.12 0.25 0.05 0.00 -0.06 0.00 0.00 57.16 57.29 1sm2 n GLU 439 Cb 0.43 -1.59 0.07 0.00 -0.06 0.00 0.00 31.44 30.29 1sm2 n GLU 439 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1sm2 n HIS 440 N -1.21 0.00 -4.47 4.31 8.25 -0.06 -4.97 115.22 117.06 1sm2 n HIS 440 Ca 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1sm2 n HIS 440 Cb 0.09 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1sm2 n HIS 440 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sm2 n GLY 441 N -0.91 -0.27 3.81 -1.41 0.00 -0.92 -4.60 105.19 100.89 1sm2 n GLY 441 Ca 0.08 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1sm2 n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm2 h LEU 443 N 4.36 -1.11 -0.84 0.00 5.85 -0.56 -0.89 115.31 122.13 1sm2 h LEU 443 Ca -0.49 0.16 0.20 0.00 0.84 0.00 0.00 57.88 58.59 1sm2 h LEU 443 Cb 1.21 0.48 -0.16 0.00 0.37 0.00 0.00 40.66 42.56 1sm2 h LEU 443 CO 0.64 -0.16 -0.08 -0.24 -0.34 0.00 0.00 178.44 178.26 1sm2 n SER 444 N -4.19 -0.19 0.04 1.25 2.88 -0.89 0.17 113.62 112.69 1sm2 n SER 444 Ca -0.00 1.43 -0.03 0.00 -1.33 0.00 0.00 58.87 58.94 1sm2 n SER 444 Cb 0.16 -0.48 0.21 0.00 -0.75 0.00 0.00 64.21 63.35 1sm2 n SER 444 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1sm2 h ASP 445 N 0.00 0.43 0.11 -3.46 1.82 -1.50 -2.25 116.42 111.57 1sm2 h ASP 445 Ca 0.46 -0.15 -0.27 0.00 -0.39 0.00 0.00 57.03 56.68 1sm2 h ASP 445 Cb 0.85 -0.12 0.02 0.00 0.68 0.00 0.00 39.33 40.76 1sm2 h ASP 445 CO -0.82 0.70 -1.07 0.22 -1.61 0.00 0.00 179.24 176.66 1sm2 h TYR 446 N 0.37 0.94 -0.30 0.28 3.20 0.27 -3.15 116.97 118.57 1sm2 h TYR 446 Ca 0.05 -0.53 -0.10 0.00 3.14 0.00 0.00 58.73 61.29 1sm2 h TYR 446 Cb 0.70 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1sm2 h TYR 446 CO 0.02 1.37 -0.23 -0.07 -1.64 0.00 0.00 178.16 177.61 1sm2 h LEU 447 N 0.33 0.57 0.34 2.82 3.38 0.46 -3.29 115.31 119.93 1sm2 h LEU 447 Ca -0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1sm2 h LEU 447 Cb 1.72 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1sm2 h LEU 447 CO 0.20 0.80 -0.16 0.03 0.09 0.00 0.00 178.44 179.40 1sm2 h ARG 448 N 0.51 -0.44 -7.68 1.13 3.08 -1.47 -3.28 114.38 106.22 1sm2 h ARG 448 Ca 0.08 0.03 -0.44 0.00 0.07 0.00 0.00 59.98 59.72 1sm2 h ARG 448 Cb 0.67 0.10 0.17 0.00 0.08 0.00 0.00 29.97 30.99 1sm2 h ARG 448 CO 0.05 -0.11 0.34 -0.08 -1.07 0.00 0.00 179.97 179.09 1sm2 s THR 449 N -4.06 1.88 0.00 2.04 -1.32 -1.19 -2.98 115.64 110.02 1sm2 s THR 449 Ca -0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1sm2 s THR 449 Cb 0.01 -2.84 0.00 0.00 -1.51 0.00 0.00 72.50 68.16 1sm2 s THR 449 CO 0.45 0.00 0.00 1.67 -2.21 0.00 0.00 174.62 174.53 1sm2 n GLN 450 N -4.04 -0.35 -2.07 7.08 -0.06 -1.26 -4.76 117.38 111.92 1sm2 n GLN 450 Ca 0.14 0.09 -0.41 0.00 -2.00 0.00 0.00 57.00 54.82 1sm2 n GLN 450 Cb 0.59 -4.21 -0.02 0.00 -4.06 0.00 0.00 30.24 22.54 1sm2 n GLN 450 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 1sm2 s ARG 451 N -0.97 4.30 0.00 3.69 3.52 -1.16 -2.05 118.95 126.28 1sm2 s ARG 451 Ca 0.00 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 57.84 1sm2 s ARG 451 Cb 0.00 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.27 1sm2 s ARG 451 CO 0.00 -0.36 0.00 0.41 -0.81 0.00 0.00 175.30 174.54 1sm2 n GLY 452 N 2.07 0.48 0.71 8.12 0.00 -1.26 -4.89 105.19 110.42 1sm2 n GLY 452 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1sm2 n GLY 452 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sm2 n LEU 453 N 0.00 2.60 -4.84 0.99 4.77 -0.87 -4.98 117.00 114.67 1sm2 n LEU 453 Ca 0.00 -1.26 -0.38 0.00 -0.03 0.00 0.00 56.01 54.34 1sm2 n LEU 453 Cb 0.00 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1sm2 n LEU 453 CO 0.00 0.53 0.05 -0.36 -1.33 0.00 0.00 177.39 176.28 1sm2 s PHE 454 N -1.25 3.70 0.13 -1.77 0.40 -1.26 -5.08 117.98 112.85 1sm2 s PHE 454 Ca 0.23 0.90 -0.07 0.00 -0.60 0.00 0.00 56.93 57.39 1sm2 s PHE 454 Cb 0.14 -2.23 -0.06 0.00 0.51 0.00 0.00 43.02 41.39 1sm2 s PHE 454 CO 0.21 0.65 0.39 0.00 0.70 0.00 0.00 175.22 177.17 1sm2 s ALA 455 N -1.02 3.75 0.31 5.36 0.00 -1.26 -4.97 121.76 123.94 1sm2 s ALA 455 Ca 0.22 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1sm2 s ALA 455 Cb -0.16 -2.19 0.56 0.00 0.00 0.00 0.00 23.12 21.33 1sm2 s ALA 455 CO 0.11 0.63 1.93 0.00 0.00 0.00 0.00 175.76 178.43 1sm2 h ALA 456 N 3.08 1.54 0.00 0.00 0.00 -1.98 0.49 119.26 122.38 1sm2 h ALA 456 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1sm2 h ALA 456 Cb 1.17 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1sm2 h ALA 456 CO 0.70 0.34 0.00 0.39 0.00 0.00 0.00 179.25 180.69 1sm2 n GLU 457 N -4.48 0.02 -0.13 0.00 1.02 -1.26 -1.91 120.64 113.90 1sm2 n GLU 457 Ca 0.13 0.45 -0.18 0.00 -0.02 0.00 0.00 57.16 57.54 1sm2 n GLU 457 Cb 0.18 -1.55 -0.12 0.00 -0.02 0.00 0.00 31.44 29.93 1sm2 n GLU 457 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1sm2 n THR 458 N -1.59 1.45 -0.22 2.62 -1.04 0.16 -4.01 114.28 111.65 1sm2 n THR 458 Ca 0.01 -0.55 -0.07 0.00 -2.04 0.00 0.00 64.05 61.40 1sm2 n THR 458 Cb 0.05 -1.41 0.06 0.00 -1.82 0.00 0.00 70.33 67.21 1sm2 n THR 458 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1sm2 h LEU 459 N -0.04 1.02 -0.78 -4.42 3.38 -0.78 -2.62 115.31 111.07 1sm2 h LEU 459 Ca -0.57 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.09 1sm2 h LEU 459 Cb 1.86 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.31 1sm2 h LEU 459 CO -0.10 1.02 0.14 0.25 0.09 0.00 0.00 178.44 179.83 1sm2 h LEU 460 N 1.00 1.00 -1.52 1.67 5.85 -1.61 -1.66 115.31 120.05 1sm2 h LEU 460 Ca 0.20 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1sm2 h LEU 460 Cb 0.44 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1sm2 h LEU 460 CO 0.01 0.98 0.41 1.23 -0.34 0.00 0.00 178.44 180.73 1sm2 h GLY 461 N 1.06 0.74 0.75 3.75 0.00 -1.63 0.13 103.07 107.86 1sm2 h GLY 461 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1sm2 h GLY 461 CO 0.01 0.17 -0.07 -0.33 0.00 0.00 0.00 176.54 176.32 1sm2 h MET 462 N 0.58 -0.19 -0.80 4.80 2.86 -0.99 -1.13 114.93 120.06 1sm2 h MET 462 Ca 0.27 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.98 1sm2 h MET 462 Cb 0.30 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.96 1sm2 h MET 462 CO -0.08 0.07 0.52 0.00 1.06 0.00 0.00 176.91 178.48 1sm2 h LEU 464 N 0.86 0.77 -0.02 0.00 3.38 -0.63 -1.00 115.31 118.67 1sm2 h LEU 464 Ca 0.34 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1sm2 h LEU 464 Cb 0.24 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1sm2 h LEU 464 CO -0.12 0.96 0.01 0.44 0.09 0.00 0.00 178.44 179.83 1sm2 h ASP 465 N 0.67 0.03 0.44 -0.43 3.32 0.10 -1.19 116.42 119.36 1sm2 h ASP 465 Ca 0.10 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1sm2 h ASP 465 Cb 0.71 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1sm2 h ASP 465 CO 0.05 0.03 -0.13 0.58 -1.72 0.00 0.00 179.24 178.06 1sm2 h VAL 466 N 0.02 0.54 0.02 -1.35 2.07 -1.30 -2.11 116.25 114.14 1sm2 h VAL 466 Ca 0.01 -0.59 -0.25 0.00 0.82 0.00 0.00 66.70 66.69 1sm2 h VAL 466 Cb 0.01 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1sm2 h VAL 466 CO -0.00 0.12 -1.02 0.00 0.02 0.00 0.00 177.57 176.69 1sm2 h GLU 468 N 0.29 0.63 0.28 0.00 5.08 -0.93 0.77 114.58 120.69 1sm2 h GLU 468 Ca -0.11 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1sm2 h GLU 468 Cb 1.67 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1sm2 h GLU 468 CO 0.19 0.60 -0.22 0.78 -1.00 0.00 0.00 179.01 179.36 1sm2 h GLY 469 N 0.53 -0.52 1.68 -3.84 0.00 -1.34 -1.59 103.07 97.99 1sm2 h GLY 469 Ca 0.14 0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 1sm2 h GLY 469 CO -0.01 -0.21 0.19 -0.33 0.00 0.00 0.00 176.54 176.18 1sm2 h MET 470 N -0.50 0.43 -0.48 4.80 2.86 -0.57 -0.77 114.93 120.70 1sm2 h MET 470 Ca -0.02 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1sm2 h MET 470 Cb 0.44 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1sm2 h MET 470 CO -0.01 0.31 0.14 0.00 1.06 0.00 0.00 176.91 178.41 1sm2 h ALA 471 N 1.77 0.63 -0.08 6.32 0.00 0.11 0.70 119.26 128.71 1sm2 h ALA 471 Ca 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sm2 h ALA 471 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1sm2 h ALA 471 CO -0.02 0.29 0.05 -0.92 0.00 0.00 0.00 179.25 178.65 1sm2 h TYR 472 N 0.64 0.10 -0.75 0.00 3.20 -0.40 -1.58 116.97 118.19 1sm2 h TYR 472 Ca 0.15 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1sm2 h TYR 472 Cb 0.28 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 1sm2 h TYR 472 CO 0.02 0.10 0.40 -0.07 -1.64 0.00 0.00 178.16 176.96 1sm2 h LEU 473 N 0.07 0.93 0.27 2.82 3.38 -0.99 -1.97 115.31 119.82 1sm2 h LEU 473 Ca 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1sm2 h LEU 473 Cb 0.02 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1sm2 h LEU 473 CO -0.01 0.75 -0.13 -0.08 0.09 0.00 0.00 178.44 179.07 1sm2 h GLU 474 N 1.04 -0.35 -0.50 1.13 4.81 -0.44 -0.19 114.58 120.09 1sm2 h GLU 474 Ca 0.26 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1sm2 h GLU 474 Cb 0.04 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1sm2 h GLU 474 CO -0.04 -0.23 0.33 1.49 -0.73 0.00 0.00 179.01 179.83 1sm2 h GLU 475 N -0.37 0.61 0.00 1.92 4.81 -1.14 0.11 114.58 120.52 1sm2 h GLU 475 Ca -0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1sm2 h GLU 475 Cb 0.28 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1sm2 h GLU 475 CO 0.06 0.41 0.00 0.00 -0.73 0.00 0.00 179.01 178.75 1sm2 n ALA 476 N -2.47 2.46 -1.25 2.92 0.00 -0.75 -4.86 120.51 116.56 1sm2 n ALA 476 Ca 0.05 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.31 1sm2 n ALA 476 Cb 0.09 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 1sm2 n ALA 476 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sm2 s VAL 478 N -2.02 4.77 -0.24 0.00 1.01 -0.13 -5.01 120.40 118.79 1sm2 s VAL 478 Ca 0.00 1.15 -0.03 0.00 0.00 0.00 0.00 61.98 63.10 1sm2 s VAL 478 Cb 0.00 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1sm2 s VAL 478 CO 0.00 0.52 -0.05 -0.63 0.00 0.00 0.00 175.10 174.94 1sm2 s ILE 479 N -1.15 3.06 -0.89 2.22 -1.09 -1.26 -4.18 121.20 117.91 1sm2 s ILE 479 Ca 0.30 -0.82 -0.24 0.00 -2.23 0.00 0.00 60.65 57.66 1sm2 s ILE 479 Cb -0.19 -2.49 0.05 0.00 -1.58 0.00 0.00 42.46 38.26 1sm2 s ILE 479 CO 0.19 0.29 1.32 -2.28 -1.23 0.00 0.00 174.94 173.22 1sm2 s HIS 480 N 1.39 2.53 -1.79 3.97 2.46 -1.26 -4.81 115.29 117.77 1sm2 s HIS 480 Ca 0.03 -0.63 0.00 0.00 0.47 0.00 0.00 55.06 54.92 1sm2 s HIS 480 Cb -0.16 -4.60 0.00 0.00 -0.13 0.00 0.00 32.58 27.70 1sm2 s HIS 480 CO -0.04 -1.91 0.28 0.54 -2.47 0.00 0.00 174.74 171.14 1sm2 n ARG 481 N 8.68 0.32 -2.72 2.88 1.74 -1.26 -3.56 116.66 122.75 1sm2 n ARG 481 Ca 0.20 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.20 1sm2 n ARG 481 Cb 0.50 -1.03 0.09 0.00 -1.02 0.00 0.00 32.46 31.00 1sm2 n ARG 481 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1sm2 n ASP 482 N -0.32 -2.12 -4.66 0.55 2.03 -1.26 -5.05 116.55 105.72 1sm2 n ASP 482 Ca 0.00 -3.27 -0.43 0.00 0.52 0.00 0.00 54.79 51.61 1sm2 n ASP 482 Cb 0.02 1.71 -0.02 0.00 -0.72 0.00 0.00 41.12 42.11 1sm2 n ASP 482 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1sm2 s LEU 483 N -2.22 4.09 -0.04 -2.67 2.96 -1.23 -4.84 118.68 114.73 1sm2 s LEU 483 Ca 0.21 1.42 -0.29 0.00 -0.22 0.00 0.00 54.13 55.25 1sm2 s LEU 483 Cb 0.30 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.55 1sm2 s LEU 483 CO -0.07 -0.75 0.82 0.00 -1.32 0.00 0.00 176.35 175.02 1sm2 s ALA 484 N 3.43 -1.81 0.54 5.97 0.00 -1.26 -4.59 121.76 124.05 1sm2 s ALA 484 Ca 0.48 1.21 0.35 0.00 0.00 0.00 0.00 51.96 53.99 1sm2 s ALA 484 Cb -0.17 0.01 1.52 0.00 0.00 0.00 0.00 23.12 24.48 1sm2 s ALA 484 CO 0.11 -0.49 1.83 0.00 0.00 0.00 0.00 175.76 177.21 1sm2 h ALA 485 N 2.45 2.99 0.00 0.00 0.00 -1.93 0.23 119.26 123.00 1sm2 h ALA 485 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1sm2 h ALA 485 Cb 1.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1sm2 h ALA 485 CO 0.34 -1.31 0.00 2.89 0.00 0.00 0.00 179.25 181.17 1sm2 n ARG 486 N -4.18 0.12 -0.19 0.00 1.85 -1.26 -2.10 116.66 110.90 1sm2 n ARG 486 Ca 0.22 0.34 0.05 0.00 -1.00 0.00 0.00 57.85 57.47 1sm2 n ARG 486 Cb 1.13 -1.72 0.15 0.00 -1.05 0.00 0.00 32.46 30.96 1sm2 n ARG 486 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1sm2 n ASN 487 N -1.95 2.93 -4.77 2.89 3.02 0.80 -4.90 115.26 113.29 1sm2 n ASN 487 Ca 0.03 -2.24 -0.33 0.00 -0.03 0.00 0.00 54.58 52.01 1sm2 n ASN 487 Cb 0.21 -0.26 -0.07 0.00 -0.61 0.00 0.00 39.78 39.05 1sm2 n ASN 487 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sm2 s LEU 489 N -1.59 2.49 -0.12 0.00 1.43 0.23 -0.05 118.68 121.07 1sm2 s LEU 489 Ca 0.21 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1sm2 s LEU 489 Cb -0.12 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1sm2 s LEU 489 CO 0.12 0.27 0.00 -0.69 0.23 0.00 0.00 176.35 176.28 1sm2 s VAL 490 N -0.87 4.31 0.00 -1.59 1.01 0.34 -0.83 120.40 122.78 1sm2 s VAL 490 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1sm2 s VAL 490 Cb -0.10 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1sm2 s VAL 490 CO 0.04 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1sm2 n GLY 491 N 2.74 5.01 1.91 4.51 0.00 -0.27 -0.88 105.19 118.21 1sm2 n GLY 491 Ca -0.18 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 1sm2 n GLY 491 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sm2 n GLU 492 N 0.00 0.00 -3.22 1.61 1.02 -1.26 -2.96 120.64 115.82 1sm2 n GLU 492 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1sm2 n GLU 492 Cb 0.00 -0.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.88 1sm2 n GLU 492 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1sm2 n ASN 493 N 3.00 -6.45 0.00 1.62 6.94 -1.26 -2.85 115.26 116.25 1sm2 n ASN 493 Ca 0.34 0.34 0.00 0.00 -0.02 0.00 0.00 54.58 55.25 1sm2 n ASN 493 Cb 0.10 -2.05 0.00 0.00 -2.36 0.00 0.00 39.78 35.46 1sm2 n ASN 493 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sm2 n GLN 494 N 0.79 0.00 -1.64 -3.83 1.13 -1.16 -4.92 117.38 107.75 1sm2 n GLN 494 Ca -0.02 0.00 -0.55 0.00 -1.94 0.00 0.00 57.00 54.49 1sm2 n GLN 494 Cb 0.51 -1.65 -0.07 0.00 0.11 0.00 0.00 30.24 29.13 1sm2 n GLN 494 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1sm2 n VAL 495 N -0.56 0.13 -4.19 5.09 0.31 -1.13 -4.68 118.33 113.29 1sm2 n VAL 495 Ca 0.00 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 63.96 1sm2 n VAL 495 Cb 0.00 -0.93 -0.09 0.00 -0.91 0.00 0.00 33.84 31.90 1sm2 n VAL 495 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1sm2 s ILE 496 N 1.87 4.60 0.00 2.52 -1.09 -1.26 -1.11 121.20 126.73 1sm2 s ILE 496 Ca 0.92 -0.12 0.04 0.00 -2.23 0.00 0.00 60.65 59.25 1sm2 s ILE 496 Cb -1.04 -2.99 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1sm2 s ILE 496 CO 0.57 0.56 -0.13 -0.54 -1.23 0.00 0.00 174.94 174.17 1sm2 s LYS 497 N -0.45 0.97 0.38 2.79 1.02 -0.01 -4.54 119.74 119.90 1sm2 s LYS 497 Ca 0.09 -0.51 -0.10 0.00 0.02 0.00 0.00 55.97 55.46 1sm2 s LYS 497 Cb -0.12 -0.94 -0.07 0.00 -0.52 0.00 0.00 37.83 36.18 1sm2 s LYS 497 CO 0.02 0.25 0.74 0.08 -0.92 0.00 0.00 175.35 175.52 1sm2 s VAL 498 N -0.43 4.80 0.00 3.17 1.01 0.11 -0.60 120.40 128.46 1sm2 s VAL 498 Ca 0.04 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1sm2 s VAL 498 Cb -0.05 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1sm2 s VAL 498 CO -0.00 -0.45 0.00 -1.54 0.00 0.00 0.00 175.10 173.11 1sm2 n SER 499 N -1.13 0.00 -1.01 3.32 3.41 -0.91 -1.70 113.62 115.60 1sm2 n SER 499 Ca 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.56 1sm2 n SER 499 Cb 0.54 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 1sm2 n SER 499 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sm2 n ASP 500 N 0.00 -2.30 -2.69 4.04 8.00 -1.26 -4.90 116.55 117.44 1sm2 n ASP 500 Ca 0.00 0.17 -0.06 0.00 0.71 0.00 0.00 54.79 55.61 1sm2 n ASP 500 Cb 0.00 -2.19 0.03 0.00 -0.02 0.00 0.00 41.12 38.94 1sm2 n ASP 500 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1sm2 n PHE 501 N -1.43 -3.26 -1.18 1.24 1.16 -1.26 -4.98 117.46 107.76 1sm2 n PHE 501 Ca -0.07 -0.48 -0.06 0.00 -1.87 0.00 0.00 57.45 54.97 1sm2 n PHE 501 Cb 0.27 -0.20 -0.03 0.00 -1.61 0.00 0.00 39.48 37.92 1sm2 n PHE 501 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1sm2 n GLY 502 N 2.93 0.81 0.00 4.97 0.00 -1.26 -5.02 105.19 107.62 1sm2 n GLY 502 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1sm2 n GLY 502 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sm2 n PRO 521 N -2.23 0.00 0.00 1.61 -0.02 -1.26 -4.84 135.00 128.27 1sm2 n PRO 521 Ca -0.06 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.43 1sm2 n PRO 521 Cb 0.27 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.78 1sm2 n PRO 521 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1sm2 n VAL 522 N 0.00 1.30 0.81 -1.45 0.31 -1.26 -1.16 118.33 116.88 1sm2 n VAL 522 Ca 0.00 0.32 0.13 0.00 -0.01 0.00 0.00 64.34 64.78 1sm2 n VAL 522 Cb 0.00 -1.31 0.52 0.00 -0.91 0.00 0.00 33.84 32.14 1sm2 n VAL 522 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1sm2 n LYS 523 N -1.34 0.07 0.00 5.55 5.02 -1.26 -3.15 118.16 123.05 1sm2 n LYS 523 Ca 0.00 0.11 0.02 0.00 -2.02 0.00 0.00 58.31 56.42 1sm2 n LYS 523 Cb 0.01 -1.59 -0.01 0.00 -0.02 0.00 0.00 35.03 33.42 1sm2 n LYS 523 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1sm2 n TRP 524 N -1.71 0.00 -2.90 2.13 8.01 -0.31 -4.95 117.44 117.72 1sm2 n TRP 524 Ca 0.06 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.85 1sm2 n TRP 524 Cb 0.33 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.58 1sm2 n TRP 524 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1sm2 s ALA 525 N -0.94 3.35 0.81 6.99 0.00 -1.19 -3.79 121.76 126.99 1sm2 s ALA 525 Ca 0.03 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 1sm2 s ALA 525 Cb 0.03 -3.08 0.08 0.00 0.00 0.00 0.00 23.12 20.15 1sm2 s ALA 525 CO 0.11 0.10 1.10 -1.54 0.00 0.00 0.00 175.76 175.53 1sm2 s SER 526 N -0.37 4.41 0.23 0.00 1.04 -1.26 -4.76 113.70 112.99 1sm2 s SER 526 Ca 0.40 1.27 -0.06 0.00 0.48 0.00 0.00 55.95 58.05 1sm2 s SER 526 Cb -0.22 -1.99 0.38 0.00 0.10 0.00 0.00 66.02 64.28 1sm2 s SER 526 CO 0.26 -2.02 1.75 -0.65 0.98 0.00 0.00 173.24 173.57 1sm2 h PRO 527 N -1.12 0.48 -0.02 4.02 0.11 -1.93 -0.78 132.00 132.76 1sm2 h PRO 527 Ca -0.47 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.61 1sm2 h PRO 527 Cb 1.27 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1sm2 h PRO 527 CO 0.60 0.32 0.02 0.93 -0.21 0.00 0.00 178.00 179.66 1sm2 h GLU 528 N 0.50 0.00 0.04 1.05 3.07 -1.88 -1.46 114.58 115.89 1sm2 h GLU 528 Ca 0.37 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.12 1sm2 h GLU 528 Cb 0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1sm2 h GLU 528 CO -0.33 0.00 -0.55 0.28 -1.40 0.00 0.00 179.01 177.01 1sm2 h VAL 529 N 0.00 1.49 -0.65 3.13 2.07 -1.38 0.13 116.25 121.04 1sm2 h VAL 529 Ca 0.01 -2.35 0.06 0.00 0.82 0.00 0.00 66.70 65.23 1sm2 h VAL 529 Cb 0.06 3.06 -0.08 0.00 -1.52 0.00 0.00 31.29 32.80 1sm2 h VAL 529 CO -0.00 0.58 -0.44 -0.26 0.02 0.00 0.00 177.57 177.47 1sm2 h PHE 530 N -0.81 -1.41 0.00 1.57 0.05 -0.46 -2.09 116.94 113.79 1sm2 h PHE 530 Ca -0.13 0.09 0.00 0.00 3.82 0.00 0.00 57.97 61.75 1sm2 h PHE 530 Cb 1.26 0.70 0.00 0.00 2.00 0.00 0.00 35.95 39.90 1sm2 h PHE 530 CO 0.21 -0.30 0.00 0.43 -0.18 0.00 0.00 178.31 178.47 1sm2 n SER 531 N -4.71 0.00 0.00 2.17 7.64 -0.64 -4.55 113.62 113.52 1sm2 n SER 531 Ca 0.00 0.02 0.09 0.00 1.01 0.00 0.00 58.87 59.99 1sm2 n SER 531 Cb 0.21 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 63.83 1sm2 n SER 531 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1sm2 n PHE 532 N -0.10 0.00 -3.44 1.43 3.01 -1.01 -4.87 117.46 112.48 1sm2 n PHE 532 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 1sm2 n PHE 532 Cb 0.00 -0.37 0.08 0.00 -0.01 0.00 0.00 39.48 39.18 1sm2 n PHE 532 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1sm2 n SER 533 N -1.37 -3.50 -4.34 4.37 2.88 0.16 -4.92 113.62 106.91 1sm2 n SER 533 Ca 0.07 -0.57 -0.46 0.00 -1.33 0.00 0.00 58.87 56.57 1sm2 n SER 533 Cb 0.17 -4.93 -0.01 0.00 -0.75 0.00 0.00 64.21 58.68 1sm2 n SER 533 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1sm2 s ARG 534 N -5.64 3.79 1.02 -1.46 3.52 0.21 -4.89 118.95 115.49 1sm2 s ARG 534 Ca 0.20 -2.69 -0.12 0.00 -0.13 0.00 0.00 55.73 52.99 1sm2 s ARG 534 Cb -0.09 -4.48 0.20 0.00 -1.56 0.00 0.00 34.95 29.03 1sm2 s ARG 534 CO 0.70 -1.28 1.08 0.71 -0.81 0.00 0.00 175.30 175.70 1sm2 s TYR 535 N -0.23 1.97 -2.13 5.12 1.51 -1.26 -4.40 117.35 117.93 1sm2 s TYR 535 Ca 0.22 1.06 0.00 0.00 -1.01 0.00 0.00 57.07 57.34 1sm2 s TYR 535 Cb -0.10 -3.22 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 1sm2 s TYR 535 CO -0.09 -3.03 0.00 -1.13 -1.11 0.00 0.00 175.55 170.19 1sm2 n SER 536 N -4.29 0.00 -0.04 2.29 3.41 -1.26 -4.92 113.62 108.80 1sm2 n SER 536 Ca 0.05 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.60 1sm2 n SER 536 Cb 0.56 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.66 1sm2 n SER 536 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1sm2 h SER 537 N 0.00 0.65 0.43 4.04 4.64 -1.96 -2.80 113.55 118.55 1sm2 h SER 537 Ca 0.00 -0.22 -0.12 0.00 -0.47 0.00 0.00 61.79 60.98 1sm2 h SER 537 Cb 0.00 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1sm2 h SER 537 CO 0.00 0.86 -0.53 0.11 -0.87 0.00 0.00 176.83 176.41 1sm2 h LYS 538 N 0.57 0.11 -0.96 4.77 1.79 -1.93 -2.70 116.57 118.21 1sm2 h LYS 538 Ca 0.08 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1sm2 h LYS 538 Cb 0.69 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.29 1sm2 h LYS 538 CO 0.05 0.61 0.63 0.77 -1.08 0.00 0.00 179.45 180.43 1sm2 h SER 539 N 0.09 1.12 -0.30 0.86 0.02 -1.84 -1.53 113.55 111.97 1sm2 h SER 539 Ca -0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1sm2 h SER 539 Cb 0.96 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1sm2 h SER 539 CO 0.07 0.82 0.20 0.44 -1.14 0.00 0.00 176.83 177.22 1sm2 h ASP 540 N 1.31 0.34 -0.70 3.07 3.32 -1.40 -1.99 116.42 120.37 1sm2 h ASP 540 Ca 0.35 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.42 1sm2 h ASP 540 Cb -0.13 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.29 1sm2 h ASP 540 CO -0.07 0.24 0.44 0.58 -1.72 0.00 0.00 179.24 178.71 1sm2 h VAL 541 N 0.40 1.11 -0.42 -1.35 2.07 -1.16 0.92 116.25 117.82 1sm2 h VAL 541 Ca 0.11 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.39 1sm2 h VAL 541 Cb -0.04 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 1sm2 h VAL 541 CO -0.03 0.16 0.10 -0.25 0.02 0.00 0.00 177.57 177.58 1sm2 h TRP 542 N 0.87 0.17 -0.22 1.57 2.91 -0.93 0.26 115.95 120.59 1sm2 h TRP 542 Ca 0.28 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.32 1sm2 h TRP 542 Cb 0.00 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 28.63 1sm2 h TRP 542 CO -0.04 0.03 0.12 1.03 -1.03 0.00 0.00 178.44 178.55 1sm2 h SER 543 N 0.24 0.27 -0.83 2.65 0.87 -0.39 -1.59 113.55 114.77 1sm2 h SER 543 Ca 0.20 -0.09 0.18 0.00 -1.23 0.00 0.00 61.79 60.85 1sm2 h SER 543 Cb 0.23 -0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 62.02 1sm2 h SER 543 CO -0.25 0.28 0.36 0.15 -0.53 0.00 0.00 176.83 176.85 1sm2 h PHE 544 N 0.24 0.61 -0.53 2.24 3.57 0.19 0.32 116.94 123.58 1sm2 h PHE 544 Ca 0.08 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1sm2 h PHE 544 Cb 0.07 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 1sm2 h PHE 544 CO -0.04 0.04 0.18 0.78 -2.23 0.00 0.00 178.31 177.04 1sm2 h GLY 545 N 0.46 0.70 0.97 2.40 0.00 0.46 0.20 103.07 108.26 1sm2 h GLY 545 Ca 0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1sm2 h GLY 545 CO -0.45 -0.01 0.21 -2.08 0.00 0.00 0.00 176.54 174.21 1sm2 h VAL 546 N 0.35 1.20 -0.71 4.60 2.07 -0.11 -1.83 116.25 121.82 1sm2 h VAL 546 Ca 0.26 -0.60 0.05 0.00 0.82 0.00 0.00 66.70 67.23 1sm2 h VAL 546 Cb 0.30 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1sm2 h VAL 546 CO -0.27 0.23 0.47 0.25 0.02 0.00 0.00 177.57 178.26 1sm2 h LEU 547 N 0.62 0.70 -0.60 2.57 6.46 0.45 0.34 115.31 125.85 1sm2 h LEU 547 Ca 0.16 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.86 1sm2 h LEU 547 Cb 0.16 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1sm2 h LEU 547 CO -0.02 0.47 0.14 0.24 -0.62 0.00 0.00 178.44 178.65 1sm2 h MET 548 N 0.80 0.96 -0.42 1.25 2.86 -0.08 0.28 114.93 120.58 1sm2 h MET 548 Ca 0.29 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1sm2 h MET 548 Cb 0.15 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1sm2 h MET 548 CO -0.09 0.89 0.28 2.35 1.06 0.00 0.00 176.91 181.39 1sm2 h TRP 549 N 0.87 0.52 -0.29 -0.22 7.01 -0.25 0.14 115.95 123.73 1sm2 h TRP 549 Ca 0.19 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.25 1sm2 h TRP 549 Cb 0.36 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 1sm2 h TRP 549 CO 0.03 0.32 0.00 0.93 -2.79 0.00 0.00 178.44 176.93 1sm2 h GLU 550 N 0.56 0.09 0.60 2.65 5.08 0.52 0.35 114.58 124.43 1sm2 h GLU 550 Ca 0.16 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1sm2 h GLU 550 Cb -0.05 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.18 1sm2 h GLU 550 CO -0.04 0.06 -0.29 0.28 -1.00 0.00 0.00 179.01 178.02 1sm2 h VAL 551 N 0.09 0.39 0.00 3.13 2.07 0.17 0.62 116.25 122.72 1sm2 h VAL 551 Ca 0.14 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 1sm2 h VAL 551 Cb 0.18 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1sm2 h VAL 551 CO -0.23 0.01 -0.01 -0.26 0.02 0.00 0.00 177.57 177.10 1sm2 h PHE 552 N -0.86 0.00 -0.37 1.57 -1.00 -0.58 0.26 116.94 115.96 1sm2 h PHE 552 Ca -0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.70 1sm2 h PHE 552 Cb 0.64 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1sm2 h PHE 552 CO -0.02 0.01 0.00 -1.13 -1.61 0.00 0.00 178.31 175.56 1sm2 n SER 553 N -3.16 2.44 -3.51 2.17 3.41 0.10 -4.26 113.62 110.82 1sm2 n SER 553 Ca -0.02 -1.92 -0.19 0.00 -0.26 0.00 0.00 58.87 56.48 1sm2 n SER 553 Cb 0.16 -0.25 0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1sm2 n SER 553 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sm2 n GLU 554 N 0.83 -4.74 -2.69 4.33 1.02 0.91 -3.91 120.64 116.39 1sm2 n GLU 554 Ca 0.17 0.74 -0.09 0.00 -0.02 0.00 0.00 57.16 57.95 1sm2 n GLU 554 Cb 0.41 -5.47 0.05 0.00 -0.02 0.00 0.00 31.44 26.41 1sm2 n GLU 554 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sm2 n GLY 555 N -1.35 -0.08 3.96 0.62 0.00 0.21 -3.96 105.19 104.59 1sm2 n GLY 555 Ca -0.24 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 1sm2 n GLY 555 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sm2 s LYS 556 N -4.43 3.06 -0.39 1.61 1.02 -1.25 -4.65 119.74 114.71 1sm2 s LYS 556 Ca 0.08 -1.05 -0.25 0.00 0.02 0.00 0.00 55.97 54.77 1sm2 s LYS 556 Cb -0.01 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.56 1sm2 s LYS 556 CO 0.41 0.09 0.90 0.42 -0.92 0.00 0.00 175.35 176.24 1sm2 s ILE 557 N -2.19 4.59 0.24 2.17 1.01 -1.26 -4.76 121.20 121.00 1sm2 s ILE 557 Ca 0.44 1.04 -0.31 0.00 0.00 0.00 0.00 60.65 61.82 1sm2 s ILE 557 Cb -0.09 -4.33 -0.11 0.00 0.01 0.00 0.00 42.46 37.94 1sm2 s ILE 557 CO 0.30 -0.58 1.61 -2.16 0.00 0.00 0.00 174.94 174.12 1sm2 s PRO 558 N 3.46 4.15 -1.36 2.79 0.04 -1.26 -2.09 135.00 140.72 1sm2 s PRO 558 Ca 0.37 2.53 -0.10 0.00 0.04 0.00 0.00 61.00 63.83 1sm2 s PRO 558 Cb -0.12 -3.07 0.08 0.00 0.04 0.00 0.00 34.50 31.43 1sm2 s PRO 558 CO 0.20 -0.64 0.57 0.66 0.04 0.00 0.00 177.00 177.82 1sm2 n TYR 559 N 3.04 -1.85 0.00 0.56 4.02 -1.26 -4.89 117.16 116.78 1sm2 n TYR 559 Ca 0.11 0.54 0.00 0.00 -0.01 0.00 0.00 57.90 58.54 1sm2 n TYR 559 Cb 0.37 -3.17 0.00 0.00 -0.02 0.00 0.00 39.34 36.52 1sm2 n TYR 559 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1sm2 n GLU 560 N -3.90 0.00 -1.59 -0.72 2.13 -0.89 -2.65 120.64 113.03 1sm2 n GLU 560 Ca -0.01 0.90 -0.41 0.00 0.66 0.00 0.00 57.16 58.30 1sm2 n GLU 560 Cb 0.54 -1.38 -0.03 0.00 0.27 0.00 0.00 31.44 30.84 1sm2 n GLU 560 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1sm2 n ASN 561 N -2.69 3.26 -3.49 4.31 3.02 -1.26 -4.82 115.26 113.58 1sm2 n ASN 561 Ca 0.00 -2.76 -0.11 0.00 -0.03 0.00 0.00 54.58 51.69 1sm2 n ASN 561 Cb 0.00 -1.43 -0.03 0.00 -0.61 0.00 0.00 39.78 37.71 1sm2 n ASN 561 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1sm2 s ARG 562 N 4.54 0.93 0.04 3.52 0.52 -1.08 -5.12 118.95 122.29 1sm2 s ARG 562 Ca 0.55 -0.22 -0.01 0.00 -0.52 0.00 0.00 55.73 55.53 1sm2 s ARG 562 Cb 0.11 0.43 -0.04 0.00 0.52 0.00 0.00 34.95 35.97 1sm2 s ARG 562 CO 0.05 -0.38 0.21 0.45 0.02 0.00 0.00 175.30 175.65 1sm2 s SER 563 N -2.22 6.37 0.15 0.23 0.15 -1.26 -4.93 113.70 112.18 1sm2 s SER 563 Ca 0.01 0.30 -0.17 0.00 0.70 0.00 0.00 55.95 56.80 1sm2 s SER 563 Cb -0.01 -1.98 0.02 0.00 -1.71 0.00 0.00 66.02 62.35 1sm2 s SER 563 CO -0.07 0.20 1.77 0.78 1.20 0.00 0.00 173.24 177.12 1sm2 h ASN 564 N 3.30 0.20 -0.02 5.45 2.35 -1.99 1.06 115.58 125.93 1sm2 h ASN 564 Ca -0.46 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 1sm2 h ASN 564 Cb 1.17 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 1sm2 h ASN 564 CO 0.74 0.15 0.02 -1.54 -1.65 0.00 0.00 177.43 175.15 1sm2 n SER 565 N -4.97 3.52 0.00 5.81 3.41 -1.26 -2.82 113.62 117.31 1sm2 n SER 565 Ca 0.00 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 1sm2 n SER 565 Cb 0.09 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 1sm2 n SER 565 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1sm2 n GLU 566 N 0.67 0.00 -0.05 4.33 2.13 0.56 -4.80 120.64 123.48 1sm2 n GLU 566 Ca 0.01 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.79 1sm2 n GLU 566 Cb 0.52 -0.39 0.18 0.00 0.27 0.00 0.00 31.44 32.02 1sm2 n GLU 566 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1sm2 h VAL 567 N 0.00 1.25 -0.40 6.31 2.07 0.12 -1.86 116.25 123.73 1sm2 h VAL 567 Ca 0.00 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.42 1sm2 h VAL 567 Cb 0.00 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1sm2 h VAL 567 CO 0.00 0.37 0.27 0.58 0.02 0.00 0.00 177.57 178.81 1sm2 h VAL 568 N 0.59 1.07 0.34 2.57 2.07 -1.75 -0.61 116.25 120.53 1sm2 h VAL 568 Ca 0.10 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1sm2 h VAL 568 Cb 0.55 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1sm2 h VAL 568 CO 0.03 0.09 -0.16 -0.08 0.02 0.00 0.00 177.57 177.47 1sm2 h GLU 569 N 0.49 -0.44 0.05 1.57 4.81 -1.64 -1.92 114.58 117.50 1sm2 h GLU 569 Ca 0.16 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1sm2 h GLU 569 Cb 0.03 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1sm2 h GLU 569 CO -0.04 -0.14 -0.05 -0.44 -0.73 0.00 0.00 179.01 177.62 1sm2 h ASP 570 N -0.74 -0.12 -0.58 1.04 3.32 -1.13 -2.71 116.42 115.49 1sm2 h ASP 570 Ca -0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1sm2 h ASP 570 Cb 0.50 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1sm2 h ASP 570 CO 0.08 -0.07 0.37 0.40 -1.72 0.00 0.00 179.24 178.29 1sm2 h ILE 571 N -0.11 1.16 -0.03 0.35 2.04 -1.21 -0.59 117.51 119.12 1sm2 h ILE 571 Ca 0.00 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1sm2 h ILE 571 Cb 0.10 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1sm2 h ILE 571 CO -0.01 0.16 0.09 0.28 0.00 0.00 0.00 178.15 178.66 1sm2 h SER 572 N 0.79 0.00 0.28 1.72 0.02 -1.17 -0.65 113.55 114.53 1sm2 h SER 572 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1sm2 h SER 572 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1sm2 h SER 572 CO -0.04 0.00 -0.91 0.35 -1.14 0.00 0.00 176.83 175.08 1sm2 n THR 573 N -3.31 0.06 0.00 -2.27 -2.24 -0.77 -4.95 114.28 100.81 1sm2 n THR 573 Ca -0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1sm2 n THR 573 Cb 0.16 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1sm2 n THR 573 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sm2 n GLY 574 N 1.45 1.16 3.78 3.38 0.00 -0.25 -5.11 105.19 109.60 1sm2 n GLY 574 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1sm2 n GLY 574 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sm2 s PHE 575 N -2.00 3.18 0.03 1.61 5.36 -0.30 -4.99 117.98 120.87 1sm2 s PHE 575 Ca 0.00 1.61 -0.02 0.00 -0.96 0.00 0.00 56.93 57.57 1sm2 s PHE 575 Cb 0.00 -3.21 -0.02 0.00 -0.34 0.00 0.00 43.02 39.45 1sm2 s PHE 575 CO 0.00 -0.87 0.00 1.03 -1.46 0.00 0.00 175.22 173.92 1sm2 s ARG 576 N -2.48 0.43 0.29 10.12 1.81 -1.26 -4.25 118.95 123.61 1sm2 s ARG 576 Ca 0.58 -0.74 -0.29 0.00 -1.72 0.00 0.00 55.73 53.56 1sm2 s ARG 576 Cb -0.24 0.16 -0.13 0.00 -0.45 0.00 0.00 34.95 34.28 1sm2 s ARG 576 CO 0.31 -0.08 1.22 1.28 -0.68 0.00 0.00 175.30 177.35 1sm2 n LEU 577 N 1.15 2.80 -4.73 2.53 4.77 -1.26 -4.92 117.00 117.33 1sm2 n LEU 577 Ca -0.21 1.18 -0.35 0.00 -0.03 0.00 0.00 56.01 56.61 1sm2 n LEU 577 Cb 0.57 -1.40 0.07 0.00 -2.33 0.00 0.00 43.42 40.34 1sm2 n LEU 577 CO 0.22 -0.81 0.81 -0.72 -1.33 0.00 0.00 177.39 175.56 1sm2 s TYR 578 N -0.81 2.18 -0.04 -1.77 -0.85 -1.26 -4.95 117.35 109.86 1sm2 s TYR 578 Ca 0.60 1.57 -0.30 0.00 -0.52 0.00 0.00 57.07 58.42 1sm2 s TYR 578 Cb -0.64 -3.45 -0.03 0.00 0.38 0.00 0.00 41.96 38.21 1sm2 s TYR 578 CO 0.58 -2.44 1.16 0.21 -1.52 0.00 0.00 175.55 173.53 1sm2 s LYS 579 N -3.79 4.39 0.62 -3.49 2.20 -1.26 -5.02 119.74 113.39 1sm2 s LYS 579 Ca 0.75 1.63 -0.16 0.00 -0.36 0.00 0.00 55.97 57.82 1sm2 s LYS 579 Cb -0.29 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 1sm2 s LYS 579 CO 0.42 -0.36 1.11 -2.14 -0.36 0.00 0.00 175.35 174.02 1sm2 s PRO 580 N 1.87 3.01 0.17 4.03 0.02 -1.26 -4.95 135.00 137.90 1sm2 s PRO 580 Ca 0.55 1.45 -0.14 0.00 0.02 0.00 0.00 61.00 62.89 1sm2 s PRO 580 Cb -0.24 -1.97 0.12 0.00 0.02 0.00 0.00 34.50 32.42 1sm2 s PRO 580 CO 0.23 -1.10 1.78 0.07 -0.33 0.00 0.00 177.00 177.65 1sm2 h ARG 581 N 0.43 0.44 0.00 5.54 0.11 -1.96 -1.42 114.38 117.52 1sm2 h ARG 581 Ca -0.48 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1sm2 h ARG 581 Cb 1.25 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.23 1sm2 h ARG 581 CO 0.55 0.29 0.00 -0.07 0.10 0.00 0.00 179.97 180.84 1sm2 h LEU 582 N 0.45 0.00 -9.20 0.08 3.38 -1.93 -3.42 115.31 104.67 1sm2 h LEU 582 Ca 0.21 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.61 1sm2 h LEU 582 Cb 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1sm2 h LEU 582 CO -0.16 0.00 0.51 0.00 0.09 0.00 0.00 178.44 178.89 1sm2 s ALA 583 N -3.64 3.48 0.55 1.53 0.00 -0.54 -4.83 121.76 118.31 1sm2 s ALA 583 Ca 0.01 0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.05 1sm2 s ALA 583 Cb 0.09 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 1sm2 s ALA 583 CO 0.45 -0.66 0.98 -1.54 0.00 0.00 0.00 175.76 174.99 1sm2 s SER 584 N 1.12 6.44 0.42 0.00 1.04 -1.26 -4.72 113.70 116.74 1sm2 s SER 584 Ca 0.44 1.45 0.20 0.00 0.48 0.00 0.00 55.95 58.52 1sm2 s SER 584 Cb -0.17 -2.47 1.16 0.00 0.10 0.00 0.00 66.02 64.64 1sm2 s SER 584 CO 0.14 -0.69 1.81 0.00 0.98 0.00 0.00 173.24 175.48 1sm2 h THR 585 N 0.40 0.57 -0.20 2.02 1.03 -1.96 0.34 112.91 115.10 1sm2 h THR 585 Ca -0.46 -0.12 -0.10 0.00 -0.01 0.00 0.00 66.41 65.73 1sm2 h THR 585 Cb 1.19 0.19 -0.01 0.00 -1.07 0.00 0.00 68.15 68.45 1sm2 h THR 585 CO 0.62 0.06 -0.31 0.45 -0.01 0.00 0.00 175.52 176.33 1sm2 h HIS 586 N 0.34 0.46 -0.07 0.00 3.86 -2.00 0.29 115.15 118.04 1sm2 h HIS 586 Ca 0.54 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.56 1sm2 h HIS 586 Cb 1.47 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.84 1sm2 h HIS 586 CO -0.00 0.67 -0.29 0.28 0.86 0.00 0.00 177.93 179.45 1sm2 h VAL 587 N 0.35 1.42 -0.85 2.45 2.07 -0.80 -3.18 116.25 117.72 1sm2 h VAL 587 Ca 0.05 -1.69 0.13 0.00 0.82 0.00 0.00 66.70 66.01 1sm2 h VAL 587 Cb 0.72 2.31 -0.09 0.00 -1.52 0.00 0.00 31.29 32.71 1sm2 h VAL 587 CO 0.06 0.48 0.45 0.22 0.02 0.00 0.00 177.57 178.80 1sm2 h TYR 588 N -0.17 0.80 -0.29 1.57 3.20 -0.73 -1.96 116.97 119.39 1sm2 h TYR 588 Ca -0.02 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.95 1sm2 h TYR 588 Cb 0.94 -0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.90 1sm2 h TYR 588 CO 0.13 0.24 -0.25 1.96 -1.64 0.00 0.00 178.16 178.59 1sm2 h GLN 589 N 0.68 -0.23 -0.78 1.82 4.20 -0.92 0.78 115.11 120.66 1sm2 h GLN 589 Ca 0.45 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.15 1sm2 h GLN 589 Cb 0.57 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 1sm2 h GLN 589 CO -0.33 -0.15 0.38 0.82 -0.67 0.00 0.00 178.83 178.88 1sm2 h ILE 590 N -0.24 1.24 -0.93 2.54 2.04 -1.43 -1.00 117.51 119.73 1sm2 h ILE 590 Ca 0.15 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.41 1sm2 h ILE 590 Cb 0.47 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 1sm2 h ILE 590 CO -0.43 0.29 0.61 0.24 0.00 0.00 0.00 178.15 178.86 1sm2 h MET 591 N 1.11 1.03 0.00 2.37 2.86 -0.52 0.78 114.93 122.56 1sm2 h MET 591 Ca 0.27 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1sm2 h MET 591 Cb 0.10 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1sm2 h MET 591 CO -0.04 0.68 0.00 -0.91 1.06 0.00 0.00 176.91 177.71 1sm2 h ASN 592 N 1.07 0.00 0.97 1.22 2.35 0.34 -2.73 115.58 118.80 1sm2 h ASN 592 Ca 0.40 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.95 1sm2 h ASN 592 Cb 0.20 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1sm2 h ASN 592 CO -0.16 0.00 -1.08 0.45 -1.65 0.00 0.00 177.43 175.00 1sm2 h HIS 593 N 0.00 0.00 0.00 1.19 3.86 0.18 -2.97 115.15 117.40 1sm2 h HIS 593 Ca 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1sm2 h HIS 593 Cb 0.73 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 1sm2 h HIS 593 CO 0.00 0.88 -0.38 0.00 0.86 0.00 0.00 177.93 179.29 1sm2 n TRP 595 N -3.45 1.36 -2.01 0.00 8.01 -1.04 -3.72 117.44 116.58 1sm2 n TRP 595 Ca 0.00 -0.49 -0.37 0.00 -1.31 0.00 0.00 57.50 55.33 1sm2 n TRP 595 Cb 0.54 -0.32 0.02 0.00 -2.01 0.00 0.00 31.31 29.55 1sm2 n TRP 595 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1sm2 s LYS 596 N -2.08 3.25 0.10 -0.99 -0.14 -1.18 -4.93 119.74 113.78 1sm2 s LYS 596 Ca 0.39 1.94 -0.20 0.00 -1.36 0.00 0.00 55.97 56.74 1sm2 s LYS 596 Cb 0.28 -2.17 -0.08 0.00 -1.68 0.00 0.00 37.83 34.18 1sm2 s LYS 596 CO 0.14 -1.01 1.68 1.49 -0.76 0.00 0.00 175.35 176.88 1sm2 h GLU 597 N 1.40 0.27 -6.38 1.68 4.57 -1.93 -3.42 114.58 110.77 1sm2 h GLU 597 Ca -0.50 -0.04 -0.54 0.00 -1.18 0.00 0.00 59.36 57.10 1sm2 h GLU 597 Cb 1.28 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.79 1sm2 h GLU 597 CO 0.57 0.29 0.24 1.03 -1.18 0.00 0.00 179.01 179.96 1sm2 s ARG 598 N -5.75 4.56 0.26 1.92 0.52 -1.26 -4.80 118.95 114.40 1sm2 s ARG 598 Ca -0.13 1.21 -0.04 0.00 -0.52 0.00 0.00 55.73 56.24 1sm2 s ARG 598 Cb 0.08 -3.38 0.34 0.00 0.52 0.00 0.00 34.95 32.51 1sm2 s ARG 598 CO 0.70 0.22 1.89 -1.35 0.02 0.00 0.00 175.30 176.78 1sm2 h PRO 599 N 5.81 1.18 0.00 3.54 0.11 -1.96 -0.81 132.00 139.87 1sm2 h PRO 599 Ca -0.43 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sm2 h PRO 599 Cb 1.21 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1sm2 h PRO 599 CO 0.72 0.78 0.00 1.05 -0.21 0.00 0.00 178.00 180.34 1sm2 h GLU 600 N 1.21 0.00 -0.00 1.05 9.09 -1.96 -1.65 114.58 122.32 1sm2 h GLU 600 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.81 1sm2 h GLU 600 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 1sm2 h GLU 600 CO -0.14 0.00 -0.19 -0.25 0.05 0.00 0.00 179.01 178.48 1sm2 n ASP 601 N -2.77 0.48 -4.85 3.06 8.00 -0.31 -4.82 116.55 115.34 1sm2 n ASP 601 Ca 0.00 -0.38 -0.36 0.00 0.71 0.00 0.00 54.79 54.76 1sm2 n ASP 601 Cb 0.23 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 1sm2 n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sm2 s ARG 602 N -2.67 3.90 0.58 -1.24 0.52 -0.62 -4.91 118.95 114.51 1sm2 s ARG 602 Ca 0.22 0.38 -0.17 0.00 -0.52 0.00 0.00 55.73 55.64 1sm2 s ARG 602 Cb 0.19 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 1sm2 s ARG 602 CO 0.54 0.56 1.09 -1.25 0.02 0.00 0.00 175.30 176.25 1sm2 s PRO 603 N -1.71 3.26 0.77 3.54 0.04 -1.26 -5.02 135.00 134.62 1sm2 s PRO 603 Ca 0.33 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 1sm2 s PRO 603 Cb -0.15 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.43 1sm2 s PRO 603 CO 0.18 -0.88 1.09 0.00 0.04 0.00 0.00 177.00 177.42 1sm2 s ALA 604 N -2.18 2.37 0.34 8.56 0.00 -1.26 -4.78 121.76 124.81 1sm2 s ALA 604 Ca 0.67 -0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.57 1sm2 s ALA 604 Cb -0.19 -3.13 0.63 0.00 0.00 0.00 0.00 23.12 20.43 1sm2 s ALA 604 CO 0.33 -1.59 1.88 0.74 0.00 0.00 0.00 175.76 177.12 1sm2 h PHE 605 N -0.99 0.49 -0.76 0.00 -1.00 -1.91 0.14 116.94 112.91 1sm2 h PHE 605 Ca -0.46 -0.05 0.08 0.00 2.81 0.00 0.00 57.97 60.35 1sm2 h PHE 605 Cb 1.25 -0.14 -0.05 0.00 3.61 0.00 0.00 35.95 40.62 1sm2 h PHE 605 CO 0.51 0.51 0.50 0.66 -1.61 0.00 0.00 178.31 178.88 1sm2 h SER 606 N 0.45 0.66 0.17 2.17 4.64 -1.89 -0.36 113.55 119.39 1sm2 h SER 606 Ca 0.09 0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.16 1sm2 h SER 606 Cb 0.35 -0.13 0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1sm2 h SER 606 CO 0.01 0.41 -1.24 -0.09 -0.87 0.00 0.00 176.83 175.05 1sm2 h ARG 607 N 0.74 0.36 -0.75 4.77 2.43 -1.50 -3.30 114.38 117.13 1sm2 h ARG 607 Ca 0.34 -0.62 0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1sm2 h ARG 607 Cb 0.37 0.23 -0.09 0.00 -0.42 0.00 0.00 29.97 30.05 1sm2 h ARG 607 CO -0.12 1.29 0.30 -0.07 -1.51 0.00 0.00 179.97 179.86 1sm2 h LEU 608 N -0.17 0.28 -0.37 3.80 3.38 -0.27 -1.21 115.31 120.75 1sm2 h LEU 608 Ca -0.24 0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1sm2 h LEU 608 Cb 1.86 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.65 1sm2 h LEU 608 CO 0.16 0.11 0.09 0.25 0.09 0.00 0.00 178.44 179.15 1sm2 h LEU 609 N 0.44 0.06 -0.64 1.67 5.85 -1.19 0.27 115.31 121.78 1sm2 h LEU 609 Ca 0.41 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 59.05 1sm2 h LEU 609 Cb 0.62 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1sm2 h LEU 609 CO -0.40 0.07 -0.36 0.03 -0.34 0.00 0.00 178.44 177.44 1sm2 h ARG 610 N 0.23 0.67 -0.32 1.25 -0.00 -1.43 -1.15 114.38 113.63 1sm2 h ARG 610 Ca 0.18 -0.32 -0.06 0.00 -0.50 0.00 0.00 59.98 59.27 1sm2 h ARG 610 Cb 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.15 1sm2 h ARG 610 CO -0.21 0.93 -0.03 1.96 0.00 0.00 0.00 179.97 182.61 1sm2 h GLN 611 N 0.56 0.59 -0.70 0.04 4.20 -0.77 -2.00 115.11 117.02 1sm2 h GLN 611 Ca 0.06 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 1sm2 h GLN 611 Cb 0.88 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 1sm2 h GLN 611 CO 0.08 0.74 0.27 -0.07 -0.67 0.00 0.00 178.83 179.18 1sm2 h LEU 612 N 0.38 0.96 -0.02 1.46 3.38 -0.40 -2.65 115.31 118.41 1sm2 h LEU 612 Ca 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1sm2 h LEU 612 Cb 0.49 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1sm2 h LEU 612 CO 0.02 0.86 -0.00 0.00 0.09 0.00 0.00 178.44 179.41 1sm2 h ALA 613 N 1.28 0.02 0.31 1.53 0.00 -0.98 -0.12 119.26 121.30 1sm2 h ALA 613 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1sm2 h ALA 613 Cb 0.21 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1sm2 h ALA 613 CO -0.02 -0.50 -0.51 0.93 0.00 0.00 0.00 179.25 179.15 1sm2 h GLU 614 N 0.00 -0.84 -0.32 0.00 5.08 -1.12 0.32 114.58 117.70 1sm2 h GLU 614 Ca 0.01 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1sm2 h GLU 614 Cb 0.01 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 1sm2 h GLU 614 CO -0.02 -0.56 -0.40 0.82 -1.00 0.00 0.00 179.01 177.85 1sm2 h ILE 615 N -0.87 0.16 -0.37 3.13 2.04 -1.39 -0.91 117.51 119.30 1sm2 h ILE 615 Ca -0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.91 1sm2 h ILE 615 Cb 0.81 0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 36.97 1sm2 h ILE 615 CO -0.18 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 177.80 1sm2 h ALA 616 N 0.42 0.11 -0.49 1.87 0.00 -0.52 5.09 119.26 125.74 1sm2 h ALA 616 Ca 0.13 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1sm2 h ALA 616 Cb 0.58 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 1sm2 h ALA 616 CO -0.51 -0.55 -0.14 0.93 0.00 0.00 0.00 179.25 178.98 1sm2 h GLU 617 N -0.11 -0.03 0.00 0.00 5.08 0.70 -3.34 114.58 116.89 1sm2 h GLU 617 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1sm2 h GLU 617 Cb 0.39 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1sm2 h GLU 617 CO -0.44 -0.02 -0.24 -1.13 -1.00 0.00 0.00 179.01 176.19 1sm2 n SER 618 N -5.37 0.53 0.00 1.42 3.41 -0.45 -5.10 113.62 108.06 1sm2 n SER 618 Ca 0.04 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1sm2 n SER 618 Cb 0.27 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1sm2 n SER 618 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49