#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j1k s PRO 362 N 0.00 3.30 -0.13 0.00 0.04 -1.26 -4.94 135.00 132.01 2j1k s PRO 362 Ca 0.00 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 2j1k s PRO 362 Cb 0.00 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.55 2j1k s PRO 362 CO 0.00 -0.83 0.35 -1.50 0.04 0.00 0.00 177.00 175.06 2j1k s ILE 363 N -2.47 -0.01 -0.13 0.56 -1.16 -0.60 -5.01 121.20 112.38 2j1k s ILE 363 Ca 0.63 0.03 0.02 0.00 -0.51 0.00 0.00 60.65 60.83 2j1k s ILE 363 Cb -0.16 -0.50 0.00 0.00 0.61 0.00 0.00 42.46 42.42 2j1k s ILE 363 CO 0.38 0.01 -0.20 -0.89 -2.81 0.00 0.00 174.94 171.43 2j1k s THR 364 N 0.54 2.34 -0.12 4.00 2.01 -1.26 -0.25 115.64 122.89 2j1k s THR 364 Ca -0.03 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 2j1k s THR 364 Cb -0.04 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2j1k s THR 364 CO -0.03 0.54 0.04 -0.76 -0.69 0.00 0.00 174.62 173.71 2j1k s LEU 365 N 0.63 3.74 0.29 4.42 1.43 -0.37 -1.30 118.68 127.52 2j1k s LEU 365 Ca -0.10 0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 2j1k s LEU 365 Cb -0.16 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2j1k s LEU 365 CO 0.02 0.31 0.61 -1.66 0.23 0.00 0.00 176.35 175.86 2j1k s TRP 366 N -0.44 0.20 -0.76 0.29 1.48 0.82 -0.04 118.94 120.49 2j1k s TRP 366 Ca 0.09 -0.63 0.26 0.00 -1.06 0.00 0.00 56.10 54.76 2j1k s TRP 366 Cb -0.12 0.44 0.74 0.00 -1.16 0.00 0.00 33.47 33.38 2j1k s TRP 366 CO 0.02 -1.18 1.67 0.25 -4.06 0.00 0.00 176.95 173.65 2j1k n THR 367 N -0.45 0.43 0.00 0.66 -2.24 -0.42 -1.93 114.28 110.33 2j1k n THR 367 Ca -0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2j1k n THR 367 Cb 0.61 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 2j1k n THR 367 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j1k n GLY 368 N 1.35 -0.24 3.88 3.38 0.00 -1.26 -4.62 105.19 107.68 2j1k n GLY 368 Ca 0.05 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 2j1k n GLY 368 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j1k s PRO 369 N -1.78 3.32 -1.22 1.61 0.04 -1.26 -4.23 135.00 131.48 2j1k s PRO 369 Ca 0.00 0.51 -0.09 0.00 0.04 0.00 0.00 61.00 61.46 2j1k s PRO 369 Cb 0.00 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 2j1k s PRO 369 CO 0.00 -0.65 0.73 0.41 0.04 0.00 0.00 177.00 177.53 2j1k n GLY 370 N -2.73 -0.67 3.72 0.56 0.00 -1.26 -4.90 105.19 99.91 2j1k n GLY 370 Ca 0.05 0.32 -0.32 0.00 0.00 0.00 0.00 46.02 46.07 2j1k n GLY 370 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j1k s PRO 371 N -5.85 1.84 1.03 1.61 0.04 -1.26 -5.01 135.00 127.40 2j1k s PRO 371 Ca 0.25 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 2j1k s PRO 371 Cb -0.08 -1.82 0.23 0.00 0.04 0.00 0.00 34.50 32.88 2j1k s PRO 371 CO 0.83 -2.02 1.30 -1.54 0.04 0.00 0.00 177.00 175.62 2j1k s SER 372 N -2.56 2.50 -0.54 6.66 1.04 -1.26 -4.86 113.70 114.69 2j1k s SER 372 Ca 0.69 0.27 -0.28 0.00 0.48 0.00 0.00 55.95 57.11 2j1k s SER 372 Cb -0.24 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.60 2j1k s SER 372 CO 0.51 -3.11 1.54 -0.63 0.98 0.00 0.00 173.24 172.53 2j1k s ILE 373 N -3.76 3.67 0.00 -1.02 1.01 -1.26 -4.07 121.20 115.77 2j1k s ILE 373 Ca 0.75 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.96 2j1k s ILE 373 Cb -0.04 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.19 2j1k s ILE 373 CO 0.54 -1.02 0.46 -0.46 0.00 0.00 0.00 174.94 174.47 2j1k n ASN 374 N 10.23 0.79 -4.36 3.58 0.23 -0.89 -4.86 115.26 119.98 2j1k n ASN 374 Ca 0.15 -1.20 -0.39 0.00 -0.53 0.00 0.00 54.58 52.62 2j1k n ASN 374 Cb 0.49 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.07 2j1k n ASN 374 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2j1k s GLY 375 N -0.20 1.86 -0.17 4.83 0.00 0.51 -4.29 107.32 109.86 2j1k s GLY 375 Ca 0.00 -1.59 -0.16 0.00 0.00 0.00 0.00 44.72 42.97 2j1k s GLY 375 CO 0.00 0.75 0.40 -1.36 0.00 0.00 0.00 173.10 172.88 2j1k s PHE 376 N 1.52 3.44 -0.18 1.90 0.08 0.21 -1.44 117.98 123.51 2j1k s PHE 376 Ca 0.02 0.69 -0.02 0.00 0.12 0.00 0.00 56.93 57.75 2j1k s PHE 376 Cb -0.18 -2.49 -0.01 0.00 -0.57 0.00 0.00 43.02 39.77 2j1k s PHE 376 CO 0.05 0.10 -0.10 0.42 -0.10 0.00 0.00 175.22 175.59 2j1k s ILE 377 N 0.90 3.05 -1.36 0.64 1.01 0.02 -4.67 121.20 120.80 2j1k s ILE 377 Ca 0.21 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 2j1k s ILE 377 Cb -0.14 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 2j1k s ILE 377 CO 0.08 0.48 0.51 0.59 0.00 0.00 0.00 174.94 176.59 2j1k n ASN 378 N 4.23 -0.98 -1.74 3.58 3.02 -1.26 -1.80 115.26 120.30 2j1k n ASN 378 Ca -0.19 -0.98 -0.21 0.00 -0.03 0.00 0.00 54.58 53.18 2j1k n ASN 378 Cb 0.51 -3.26 -0.07 0.00 -0.61 0.00 0.00 39.78 36.35 2j1k n ASN 378 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2j1k n ASP 379 N -2.96 -5.58 -4.12 6.41 8.00 -1.26 -4.96 116.55 112.07 2j1k n ASP 379 Ca -0.29 0.42 -0.30 0.00 0.71 0.00 0.00 54.79 55.33 2j1k n ASP 379 Cb 0.68 -4.85 -0.17 0.00 -0.02 0.00 0.00 41.12 36.75 2j1k n ASP 379 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2j1k s THR 380 N -2.82 1.71 -0.40 -3.53 2.01 -0.75 -5.07 115.64 106.78 2j1k s THR 380 Ca 0.00 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 2j1k s THR 380 Cb 0.00 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 71.01 2j1k s THR 380 CO 0.00 0.48 1.22 -2.16 -0.69 0.00 0.00 174.62 173.47 2j1k s PRO 381 N 0.69 3.78 0.00 4.92 0.04 -1.26 -0.80 135.00 142.37 2j1k s PRO 381 Ca -0.12 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2j1k s PRO 381 Cb -0.16 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2j1k s PRO 381 CO 0.03 -1.30 0.00 1.33 0.04 0.00 0.00 177.00 177.10 2j1k n VAL 382 N 6.62 0.00 -5.14 -0.36 0.24 -0.52 -4.97 118.33 114.19 2j1k n VAL 382 Ca 0.14 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.12 2j1k n VAL 382 Cb 0.48 -0.38 -0.16 0.00 -1.47 0.00 0.00 33.84 32.31 2j1k n VAL 382 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2j1k s ILE 383 N -1.65 2.33 -0.45 1.34 -1.09 -0.80 0.07 121.20 120.95 2j1k s ILE 383 Ca 0.00 -0.96 -0.19 0.00 -2.23 0.00 0.00 60.65 57.27 2j1k s ILE 383 Cb 0.00 -1.88 0.03 0.00 -1.58 0.00 0.00 42.46 39.03 2j1k s ILE 383 CO 0.00 0.56 0.57 -0.60 -1.23 0.00 0.00 174.94 174.24 2j1k s ARG 384 N -0.06 3.17 -0.31 2.79 3.52 0.37 -0.36 118.95 128.06 2j1k s ARG 384 Ca -0.06 -0.67 -0.06 0.00 -0.13 0.00 0.00 55.73 54.81 2j1k s ARG 384 Cb -0.14 -4.00 0.02 0.00 -1.56 0.00 0.00 34.95 29.26 2j1k s ARG 384 CO 0.05 -1.03 0.08 0.00 -0.81 0.00 0.00 175.30 173.59 2j1k s PHE 386 N 1.45 3.28 -0.07 0.00 5.36 -0.02 -4.80 117.98 123.19 2j1k s PHE 386 Ca 0.01 1.00 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 2j1k s PHE 386 Cb -0.18 -3.03 0.02 0.00 -0.34 0.00 0.00 43.02 39.49 2j1k s PHE 386 CO 0.02 -0.41 -0.09 0.42 -1.46 0.00 0.00 175.22 173.70 2j1k s ILE 387 N 2.78 0.91 -0.12 3.12 1.01 -1.26 -1.46 121.20 126.19 2j1k s ILE 387 Ca 0.32 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2j1k s ILE 387 Cb -0.15 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.46 2j1k s ILE 387 CO 0.09 0.32 -0.11 0.00 0.00 0.00 0.00 174.94 175.23 2j1k s LEU 389 N 1.46 4.70 -0.27 0.00 1.43 0.94 -1.17 118.68 125.78 2j1k s LEU 389 Ca 0.02 -1.34 -0.06 0.00 -1.03 0.00 0.00 54.13 51.71 2j1k s LEU 389 Cb -0.13 -1.91 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 2j1k s LEU 389 CO -0.07 -0.42 0.05 -0.89 0.23 0.00 0.00 176.35 175.25 2j1k s THR 390 N 1.39 3.86 -0.27 5.49 2.01 -0.17 -1.24 115.64 126.71 2j1k s THR 390 Ca 0.01 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 2j1k s THR 390 Cb -0.21 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2j1k s THR 390 CO 0.02 0.20 0.37 -0.60 -0.69 0.00 0.00 174.62 173.91 2j1k s ARG 391 N 1.51 3.99 0.00 4.92 6.06 0.66 -0.63 118.95 135.45 2j1k s ARG 391 Ca 0.04 -0.00 0.00 0.00 -2.50 0.00 0.00 55.73 53.27 2j1k s ARG 391 Cb -0.16 -3.67 0.00 0.00 0.06 0.00 0.00 34.95 31.18 2j1k s ARG 391 CO 0.01 -0.29 0.00 -0.25 -2.50 0.00 0.00 175.30 172.27 2j1k n ASP 392 N 5.33 0.00 -0.06 -2.12 8.00 -0.79 -1.56 116.55 125.35 2j1k n ASP 392 Ca -0.09 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.30 2j1k n ASP 392 Cb 0.51 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 2j1k n ASP 392 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2j1k h SER 393 N 0.00 0.36 0.00 -2.24 4.64 -1.96 -3.42 113.55 110.92 2j1k h SER 393 Ca 0.00 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2j1k h SER 393 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2j1k h SER 393 CO 0.00 0.63 -0.27 -3.20 -0.87 0.00 0.00 176.83 173.12 2j1k n ASN 394 N -4.66 0.72 -4.91 4.97 5.15 -1.26 -5.01 115.26 110.26 2j1k n ASN 394 Ca -0.05 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.64 2j1k n ASN 394 Cb 0.26 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.48 2j1k n ASN 394 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2j1k s LEU 395 N -4.10 4.21 -0.16 1.20 1.43 -1.26 -0.67 118.68 119.33 2j1k s LEU 395 Ca 0.00 0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 53.56 2j1k s LEU 395 Cb 0.00 -3.27 -0.03 0.00 0.03 0.00 0.00 46.19 42.92 2j1k s LEU 395 CO 0.00 -0.04 0.00 -0.69 0.23 0.00 0.00 176.35 175.85 2j1k s VAL 396 N -1.85 4.25 -0.24 -1.59 1.01 -0.11 -1.88 120.40 119.99 2j1k s VAL 396 Ca 0.40 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 2j1k s VAL 396 Cb -0.11 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 2j1k s VAL 396 CO 0.28 0.49 0.13 -0.89 0.00 0.00 0.00 175.10 175.11 2j1k s THR 397 N 0.23 4.98 -0.20 3.92 2.01 0.19 -1.76 115.64 125.01 2j1k s THR 397 Ca 0.00 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.85 2j1k s THR 397 Cb -0.13 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 2j1k s THR 397 CO 0.02 0.34 0.60 -0.69 -0.69 0.00 0.00 174.62 174.21 2j1k s VAL 398 N 1.23 5.04 -0.19 3.82 1.01 0.44 -0.99 120.40 130.75 2j1k s VAL 398 Ca 0.06 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2j1k s VAL 398 Cb -0.14 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.36 2j1k s VAL 398 CO 0.05 0.12 -0.06 0.21 0.00 0.00 0.00 175.10 175.41 2j1k s ASN 399 N 1.22 3.21 0.05 3.32 3.84 -0.32 -0.71 114.94 125.54 2j1k s ASN 399 Ca 0.27 -0.84 -0.06 0.00 0.21 0.00 0.00 52.86 52.44 2j1k s ASN 399 Cb -0.16 -1.05 -0.01 0.00 -0.55 0.00 0.00 41.25 39.49 2j1k s ASN 399 CO 0.10 -0.19 0.12 0.00 -2.79 0.00 0.00 177.10 174.34 2j1k s ALA 400 N 1.52 -0.09 -0.03 1.71 0.00 -0.20 -0.52 121.76 124.16 2j1k s ALA 400 Ca -0.01 -0.56 -0.19 0.00 0.00 0.00 0.00 51.96 51.20 2j1k s ALA 400 Cb -0.16 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.28 2j1k s ALA 400 CO -0.08 -0.35 0.40 -1.54 0.00 0.00 0.00 175.76 174.19 2j1k s SER 401 N -2.26 -0.31 -0.01 0.00 1.04 -0.54 0.22 113.70 111.84 2j1k s SER 401 Ca -0.03 0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.68 2j1k s SER 401 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2j1k s SER 401 CO -0.06 -0.48 -0.06 -0.36 0.98 0.00 0.00 173.24 173.26 2j1k s PHE 402 N -1.24 0.65 -0.14 5.02 0.08 -1.26 -0.84 117.98 120.24 2j1k s PHE 402 Ca -0.13 -0.13 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 2j1k s PHE 402 Cb -0.04 -0.46 0.03 0.00 -0.57 0.00 0.00 43.02 41.99 2j1k s PHE 402 CO 0.05 -0.05 -0.07 0.08 -0.10 0.00 0.00 175.22 175.14 2j1k s VAL 403 N 0.06 1.09 0.46 -0.44 1.01 -0.45 -0.35 120.40 121.78 2j1k s VAL 403 Ca -0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 2j1k s VAL 403 Cb -0.05 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.07 2j1k s VAL 403 CO -0.00 0.25 1.24 -0.83 0.00 0.00 0.00 175.10 175.76 2j1k s GLY 404 N 1.66 2.85 0.13 4.51 0.00 0.05 -0.48 107.32 116.05 2j1k s GLY 404 Ca 0.03 1.10 0.04 0.00 0.00 0.00 0.00 44.72 45.90 2j1k s GLY 404 CO -0.08 1.61 -0.11 -0.54 0.00 0.00 0.00 173.10 173.98 2j1k s GLU 405 N -2.57 0.99 7.81 2.90 0.41 0.11 -3.95 118.70 124.40 2j1k s GLU 405 Ca 0.63 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.85 2j1k s GLU 405 Cb -0.34 -0.64 0.00 0.00 -1.78 0.00 0.00 34.13 31.37 2j1k s GLU 405 CO 0.42 0.09 0.00 0.41 -0.49 0.00 0.00 175.26 175.69 2j1k n GLY 406 N 0.14 4.29 0.00 -1.39 0.00 -1.26 -1.62 105.19 105.35 2j1k n GLY 406 Ca -0.13 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2j1k n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j1k n GLY 407 N 0.00 -1.21 0.99 -0.02 0.00 -1.26 -2.63 105.19 101.06 2j1k n GLY 407 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2j1k n GLY 407 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2j1k n TYR 408 N -1.36 0.50 -0.24 1.61 4.01 -0.64 -4.56 117.16 116.49 2j1k n TYR 408 Ca 0.10 -0.31 -0.07 0.00 -0.16 0.00 0.00 57.90 57.46 2j1k n TYR 408 Cb 0.23 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.30 2j1k n TYR 408 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2j1k h ARG 409 N 3.64 1.02 -6.01 -0.72 2.43 -1.55 -3.36 114.38 109.84 2j1k h ARG 409 Ca 0.00 -0.22 -0.69 0.00 -0.81 0.00 0.00 59.98 58.26 2j1k h ARG 409 Cb 0.87 -0.15 -0.30 0.00 -0.42 0.00 0.00 29.97 29.98 2j1k h ARG 409 CO 0.00 0.90 -0.85 0.42 -1.51 0.00 0.00 179.97 178.92 2j1k s ILE 410 N -5.40 2.33 -0.00 1.20 1.01 -1.26 -0.45 121.20 118.63 2j1k s ILE 410 Ca -0.12 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.62 2j1k s ILE 410 Cb 0.14 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 2j1k s ILE 410 CO 0.82 0.57 -0.19 0.68 0.00 0.00 0.00 174.94 176.82 2j1k s VAL 411 N -0.22 2.66 0.32 2.92 -7.23 0.11 -4.87 120.40 114.10 2j1k s VAL 411 Ca -0.01 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.20 2j1k s VAL 411 Cb -0.13 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 2j1k s VAL 411 CO 0.03 0.48 0.23 -0.94 -0.31 0.00 0.00 175.10 174.59 2j1k s SER 412 N -1.00 5.12 0.48 4.85 1.04 -1.26 -0.23 113.70 122.70 2j1k s SER 412 Ca 0.12 -0.55 0.32 0.00 0.48 0.00 0.00 55.95 56.32 2j1k s SER 412 Cb -0.10 -0.95 1.74 0.00 0.10 0.00 0.00 66.02 66.80 2j1k s SER 412 CO 0.02 -0.28 1.98 -0.65 0.98 0.00 0.00 173.24 175.28 2j1k h PRO 413 N 1.39 0.00 -0.23 4.02 0.11 -1.79 -0.96 132.00 134.54 2j1k h PRO 413 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2j1k h PRO 413 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2j1k h PRO 413 CO 0.60 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.64 2j1k n THR 414 N -2.62 0.29 -1.73 -1.15 -2.24 -1.26 -2.83 114.28 102.74 2j1k n THR 414 Ca -0.02 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 2j1k n THR 414 Cb 0.05 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 2j1k n THR 414 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2j1k s GLN 415 N -1.71 4.13 0.42 -0.78 2.00 -0.37 -4.95 119.66 118.40 2j1k s GLN 415 Ca 0.32 2.60 -0.24 0.00 -2.00 0.00 0.00 55.36 56.04 2j1k s GLN 415 Cb 0.17 -3.18 -0.08 0.00 0.80 0.00 0.00 33.01 30.72 2j1k s GLN 415 CO 0.25 -0.77 1.19 -1.54 -0.50 0.00 0.00 175.29 173.92 2j1k s SER 416 N 1.49 6.35 0.57 6.67 1.04 -1.26 -4.65 113.70 123.92 2j1k s SER 416 Ca 0.76 2.37 -0.17 0.00 0.48 0.00 0.00 55.95 59.39 2j1k s SER 416 Cb -0.49 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 62.97 2j1k s SER 416 CO 0.33 -0.79 1.08 -1.10 0.98 0.00 0.00 173.24 173.73 2j1k s GLN 417 N -2.44 3.32 0.02 4.02 -0.21 -1.26 -5.03 119.66 118.09 2j1k s GLN 417 Ca 0.60 1.37 -0.21 0.00 0.02 0.00 0.00 55.36 57.13 2j1k s GLN 417 Cb -0.31 -2.02 0.05 0.00 1.00 0.00 0.00 33.01 31.72 2j1k s GLN 417 CO 0.38 -0.83 0.48 -0.59 -2.12 0.00 0.00 175.29 172.62 2j1k s PHE 418 N -2.17 -0.38 -0.10 0.91 -0.12 -1.06 -5.00 117.98 110.07 2j1k s PHE 418 Ca 0.67 0.46 -0.01 0.00 -0.05 0.00 0.00 56.93 58.01 2j1k s PHE 418 Cb -0.19 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.45 2j1k s PHE 418 CO 0.32 -0.58 -0.06 -1.12 -0.05 0.00 0.00 175.22 173.73 2j1k s SER 419 N -1.78 4.69 -0.38 1.98 0.01 -1.26 -0.51 113.70 116.45 2j1k s SER 419 Ca -0.07 -0.06 -0.08 0.00 1.31 0.00 0.00 55.95 57.05 2j1k s SER 419 Cb -0.01 -1.38 0.05 0.00 0.21 0.00 0.00 66.02 64.89 2j1k s SER 419 CO 0.01 0.30 0.18 -0.76 0.41 0.00 0.00 173.24 173.38 2j1k s LEU 420 N -0.44 4.71 -0.21 2.44 1.43 0.16 -4.94 118.68 121.83 2j1k s LEU 420 Ca 0.07 -1.27 -0.10 0.00 -1.03 0.00 0.00 54.13 51.79 2j1k s LEU 420 Cb -0.12 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 2j1k s LEU 420 CO 0.02 -0.42 0.15 -0.63 0.23 0.00 0.00 176.35 175.70 2j1k s ILE 421 N 1.43 5.39 -0.21 -0.59 1.01 -1.26 -1.02 121.20 125.95 2j1k s ILE 421 Ca 0.01 0.21 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 2j1k s ILE 421 Cb -0.21 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2j1k s ILE 421 CO 0.03 0.41 0.35 -0.04 0.00 0.00 0.00 174.94 175.68 2j1k s MET 422 N 0.60 4.15 -0.19 2.79 -1.94 0.10 -0.66 119.30 124.16 2j1k s MET 422 Ca 0.08 0.10 -0.04 0.00 -1.71 0.00 0.00 55.69 54.12 2j1k s MET 422 Cb -0.12 -3.54 -0.02 0.00 2.01 0.00 0.00 34.83 33.17 2j1k s MET 422 CO 0.00 -0.02 -0.04 -1.21 -0.01 0.00 0.00 175.02 173.75 2j1k s GLU 423 N 1.25 3.52 0.04 2.03 2.02 -1.26 -1.54 118.70 124.77 2j1k s GLU 423 Ca 0.16 -0.57 0.09 0.00 0.02 0.00 0.00 54.97 54.67 2j1k s GLU 423 Cb -0.14 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 2j1k s GLU 423 CO 0.07 0.01 -0.24 -0.06 0.02 0.00 0.00 175.26 175.07 2j1k s PHE 424 N 0.95 2.39 0.88 1.61 0.08 -0.01 0.05 117.98 123.93 2j1k s PHE 424 Ca 0.00 -0.37 -0.15 0.00 0.12 0.00 0.00 56.93 56.54 2j1k s PHE 424 Cb -0.15 -1.41 0.21 0.00 -0.57 0.00 0.00 43.02 41.10 2j1k s PHE 424 CO 0.01 0.17 1.06 -0.40 -0.10 0.00 0.00 175.22 175.95 2j1k n ASP 425 N 1.70 -0.51 0.00 1.36 5.68 -0.53 -1.41 116.55 122.85 2j1k n ASP 425 Ca -0.17 -1.30 0.09 0.00 -0.50 0.00 0.00 54.79 52.91 2j1k n ASP 425 Cb 0.52 -0.85 0.47 0.00 -1.14 0.00 0.00 41.12 40.12 2j1k n ASP 425 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2j1k n GLN 426 N -3.64 0.25 -0.20 0.11 0.00 -1.26 -1.95 117.38 110.68 2j1k n GLN 426 Ca 0.14 0.11 0.07 0.00 0.00 0.00 0.00 57.00 57.32 2j1k n GLN 426 Cb 0.49 -1.50 0.18 0.00 0.00 0.00 0.00 30.24 29.41 2j1k n GLN 426 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2j1k n PHE 427 N -1.30 0.54 -1.62 2.61 3.72 -1.26 -4.97 117.46 115.18 2j1k n PHE 427 Ca 0.09 -0.46 -0.03 0.00 -0.05 0.00 0.00 57.45 56.99 2j1k n PHE 427 Cb 0.16 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 2j1k n PHE 427 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j1k n GLY 428 N 0.78 0.41 3.68 1.37 0.00 -0.82 -3.32 105.19 107.29 2j1k n GLY 428 Ca 0.14 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 2j1k n GLY 428 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j1k s GLN 429 N -3.29 4.10 0.24 1.61 -0.21 -1.26 -4.67 119.66 116.17 2j1k s GLN 429 Ca 0.00 -0.26 -0.31 0.00 0.02 0.00 0.00 55.36 54.81 2j1k s GLN 429 Cb 0.00 -3.50 -0.12 0.00 1.00 0.00 0.00 33.01 30.39 2j1k s GLN 429 CO 0.00 0.12 1.67 -1.17 -2.12 0.00 0.00 175.29 173.79 2j1k s LEU 430 N 0.87 4.36 0.64 2.90 2.96 -1.26 -1.45 118.68 127.70 2j1k s LEU 430 Ca 0.08 2.90 -0.02 0.00 -0.22 0.00 0.00 54.13 56.86 2j1k s LEU 430 Cb -0.13 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.01 2j1k s LEU 430 CO 0.03 -0.95 0.90 -0.04 -1.32 0.00 0.00 176.35 174.97 2j1k s MET 431 N 0.50 2.24 0.00 1.98 -1.94 0.11 -4.46 119.30 117.73 2j1k s MET 431 Ca 0.70 -0.65 0.29 0.00 -1.71 0.00 0.00 55.69 54.32 2j1k s MET 431 Cb -0.49 -2.34 1.32 0.00 2.01 0.00 0.00 34.83 35.34 2j1k s MET 431 CO 0.38 -1.05 1.91 -1.13 -0.01 0.00 0.00 175.02 175.12 2j1k n SER 432 N -2.65 0.69 -0.01 3.03 3.41 -1.26 -1.68 113.62 115.15 2j1k n SER 432 Ca 0.09 -0.98 0.11 0.00 -0.26 0.00 0.00 58.87 57.83 2j1k n SER 432 Cb 0.60 -0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.37 2j1k n SER 432 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2j1k n THR 433 N -0.61 0.00 -2.08 6.66 -2.24 -1.26 -4.73 114.28 110.03 2j1k n THR 433 Ca 0.18 -0.45 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 2j1k n THR 433 Cb 0.26 0.10 0.18 0.00 -2.10 0.00 0.00 70.33 68.77 2j1k n THR 433 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2j1k s GLY 434 N -4.34 1.80 0.41 3.38 0.00 -1.26 -4.97 107.32 102.34 2j1k s GLY 434 Ca -0.06 -1.40 0.15 0.00 0.00 0.00 0.00 44.72 43.40 2j1k s GLY 434 CO 0.89 -0.63 1.91 3.43 0.00 0.00 0.00 173.10 178.69 2j1k h ASN 435 N -1.50 0.00 -3.17 1.64 4.21 -1.16 -3.37 115.58 112.23 2j1k h ASN 435 Ca -0.42 0.00 -0.67 0.00 1.21 0.00 0.00 56.30 56.42 2j1k h ASN 435 Cb 1.23 0.00 -0.35 0.00 -1.12 0.00 0.00 38.32 38.08 2j1k h ASN 435 CO 0.34 0.28 -0.85 -0.63 -1.29 0.00 0.00 177.43 175.29 2j1k s ILE 436 N -4.33 2.12 0.33 2.81 1.01 -1.05 -0.61 121.20 121.47 2j1k s ILE 436 Ca -0.03 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.66 2j1k s ILE 436 Cb 0.15 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 2j1k s ILE 436 CO 0.70 0.47 0.34 -0.46 0.00 0.00 0.00 174.94 175.99 2j1k n ASN 437 N 4.60 -0.89 0.00 3.58 0.23 -1.26 -4.37 115.26 117.15 2j1k n ASN 437 Ca -0.20 -3.07 0.12 0.00 -0.53 0.00 0.00 54.58 50.90 2j1k n ASN 437 Cb 0.49 1.90 0.70 0.00 -2.08 0.00 0.00 39.78 40.79 2j1k n ASN 437 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2j1k n SER 438 N -1.69 0.00 -0.02 0.53 3.41 -0.68 -2.51 113.62 112.67 2j1k n SER 438 Ca 0.06 -0.67 0.14 0.00 -0.26 0.00 0.00 58.87 58.14 2j1k n SER 438 Cb 0.59 -0.03 0.68 0.00 -0.26 0.00 0.00 64.21 65.19 2j1k n SER 438 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2j1k n THR 439 N -1.03 0.00 -4.24 6.66 -2.24 -1.26 -4.81 114.28 107.36 2j1k n THR 439 Ca 0.17 -0.01 -0.25 0.00 -2.27 0.00 0.00 64.05 61.69 2j1k n THR 439 Cb 0.09 -0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 67.85 2j1k n THR 439 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2j1k s THR 440 N -2.66 2.47 -0.02 4.28 -4.23 -1.04 -5.07 115.64 109.38 2j1k s THR 440 Ca 0.25 -1.81 -0.31 0.00 -1.18 0.00 0.00 61.69 58.64 2j1k s THR 440 Cb 0.20 -2.93 -0.09 0.00 1.34 0.00 0.00 72.50 71.01 2j1k s THR 440 CO 0.49 -0.09 1.98 0.41 -0.54 0.00 0.00 174.62 176.87 2j1k n THR 441 N -1.11 0.69 -3.67 3.99 -1.04 -1.26 -4.94 114.28 106.94 2j1k n THR 441 Ca -0.03 -0.16 -0.14 0.00 -2.04 0.00 0.00 64.05 61.68 2j1k n THR 441 Cb 0.64 -2.23 -0.08 0.00 -1.82 0.00 0.00 70.33 66.83 2j1k n THR 441 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 2j1k s TRP 442 N 4.73 -0.58 -4.04 -1.42 -0.11 -1.26 -4.51 118.94 111.75 2j1k s TRP 442 Ca 0.91 1.33 0.00 0.00 1.22 0.00 0.00 56.10 59.56 2j1k s TRP 442 Cb -0.49 0.23 0.00 0.00 -1.50 0.00 0.00 33.47 31.71 2j1k s TRP 442 CO 0.44 -0.35 0.00 0.41 -4.62 0.00 0.00 176.95 172.83 2j1k n GLY 443 N 2.36 -1.23 3.76 5.86 0.00 -0.81 -4.43 105.19 110.69 2j1k n GLY 443 Ca -0.15 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 2j1k n GLY 443 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j1k s GLU 444 N -1.62 4.70 -0.35 1.61 2.12 -0.20 -0.13 118.70 124.83 2j1k s GLU 444 Ca 0.00 1.31 -0.17 0.00 0.36 0.00 0.00 54.97 56.46 2j1k s GLU 444 Cb 0.00 -3.27 -0.00 0.00 0.26 0.00 0.00 34.13 31.12 2j1k s GLU 444 CO 0.00 0.55 0.48 0.21 -0.54 0.00 0.00 175.26 175.96 2j1k s LYS 445 N -1.17 3.58 0.50 4.30 2.20 -0.42 -0.56 119.74 128.17 2j1k s LYS 445 Ca 0.38 -0.25 -0.22 0.00 -0.36 0.00 0.00 55.97 55.52 2j1k s LYS 445 Cb -0.24 -3.82 -0.06 0.00 -1.51 0.00 0.00 37.83 32.19 2j1k s LYS 445 CO 0.29 -0.63 1.21 -2.14 -0.36 0.00 0.00 175.35 173.71 2j1k s PRO 446 N 2.31 3.53 0.15 4.03 0.02 -1.26 -4.53 135.00 139.24 2j1k s PRO 446 Ca 0.17 1.87 -0.31 0.00 0.02 0.00 0.00 61.00 62.75 2j1k s PRO 446 Cb -0.16 -2.31 -0.10 0.00 0.02 0.00 0.00 34.50 31.95 2j1k s PRO 446 CO 0.13 -0.77 1.62 -0.46 -0.33 0.00 0.00 177.00 177.19 2j1k s TRP 447 N -1.51 2.85 0.00 6.54 -0.00 -1.26 -3.17 118.94 122.39 2j1k s TRP 447 Ca 0.67 0.49 0.00 0.00 -0.00 0.00 0.00 56.10 57.26 2j1k s TRP 447 Cb -0.31 -3.98 0.00 0.00 -0.00 0.00 0.00 33.47 29.18 2j1k s TRP 447 CO 0.37 -3.71 0.00 0.41 -0.00 0.00 0.00 176.95 174.02 2j1k n GLY 448 N 3.86 0.84 3.42 5.86 0.00 -1.26 -5.05 105.19 112.86 2j1k n GLY 448 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2j1k n GLY 448 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j1k s ASN 449 N -1.85 0.34 -0.34 1.61 2.20 -1.19 -5.06 114.94 110.65 2j1k s ASN 449 Ca 0.00 -1.26 0.08 0.00 -0.94 0.00 0.00 52.86 50.74 2j1k s ASN 449 Cb 0.00 0.54 0.63 0.00 -2.00 0.00 0.00 41.25 40.42 2j1k s ASN 449 CO 0.00 -1.08 1.71 0.59 -2.94 0.00 0.00 177.10 175.38 2j1k n ASN 450 N -0.67 3.72 -4.85 3.54 3.02 -1.26 -4.46 115.26 114.29 2j1k n ASN 450 Ca 0.01 -3.49 -0.30 0.00 -0.03 0.00 0.00 54.58 50.77 2j1k n ASN 450 Cb 0.63 -0.73 0.08 0.00 -0.61 0.00 0.00 39.78 39.15 2j1k n ASN 450 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2j1k s THR 451 N -3.15 2.94 -0.22 3.41 -4.23 -1.26 -4.58 115.64 108.54 2j1k s THR 451 Ca 0.52 0.30 0.02 0.00 -1.18 0.00 0.00 61.69 61.35 2j1k s THR 451 Cb 0.43 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 71.12 2j1k s THR 451 CO 0.08 -0.40 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.94 2j1k s VAL 452 N -3.33 2.01 -0.44 2.29 1.01 -1.26 -4.32 120.40 116.35 2j1k s VAL 452 Ca 0.60 -1.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 2j1k s VAL 452 Cb -0.12 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.29 2j1k s VAL 452 CO 0.52 0.18 0.36 -1.10 0.00 0.00 0.00 175.10 175.06 2j1k s GLN 453 N 1.23 2.98 0.06 2.72 -1.52 0.28 -4.82 119.66 120.58 2j1k s GLN 453 Ca -0.03 -1.19 0.24 0.00 -1.95 0.00 0.00 55.36 52.43 2j1k s GLN 453 Cb -0.17 -4.06 0.98 0.00 -0.22 0.00 0.00 33.01 29.54 2j1k s GLN 453 CO -0.08 -0.90 1.76 -0.35 -0.25 0.00 0.00 175.29 175.47 2j1k n PRO 454 N 5.20 0.06 -2.28 2.91 -0.04 -1.26 -1.04 135.00 138.55 2j1k n PRO 454 Ca -0.12 0.14 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 2j1k n PRO 454 Cb 0.45 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 2j1k n PRO 454 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2j1k s ARG 455 N -3.04 3.80 0.51 0.54 3.52 -1.26 -4.96 118.95 118.05 2j1k s ARG 455 Ca 0.11 1.37 -0.23 0.00 -0.13 0.00 0.00 55.73 56.85 2j1k s ARG 455 Cb 0.14 -3.97 -0.06 0.00 -1.56 0.00 0.00 34.95 29.50 2j1k s ARG 455 CO 0.46 -1.28 1.31 -2.14 -0.81 0.00 0.00 175.30 172.84 2j1k s PRO 456 N 4.53 3.38 0.14 5.12 0.02 -1.26 -4.92 135.00 142.01 2j1k s PRO 456 Ca 0.64 2.13 0.05 0.00 0.02 0.00 0.00 61.00 63.83 2j1k s PRO 456 Cb -0.20 -2.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.93 2j1k s PRO 456 CO 0.27 -0.96 -0.12 0.45 -0.33 0.00 0.00 177.00 176.31 2j1k s SER 457 N -1.01 1.89 0.56 2.53 0.15 -1.26 -5.04 113.70 111.53 2j1k s SER 457 Ca 0.68 -0.93 0.30 0.00 0.70 0.00 0.00 55.95 56.71 2j1k s SER 457 Cb -0.37 -0.04 1.67 0.00 -1.71 0.00 0.00 66.02 65.56 2j1k s SER 457 CO 0.45 -0.25 2.16 1.12 1.20 0.00 0.00 173.24 177.92 2j1k h HIS 458 N 3.08 0.00 0.00 3.44 2.07 -1.95 -2.56 115.15 119.22 2j1k h HIS 458 Ca -0.38 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.14 2j1k h HIS 458 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2j1k h HIS 458 CO 0.66 0.07 0.00 1.79 -3.07 0.00 0.00 177.93 177.37 2j1k h THR 459 N 0.00 0.00 0.00 6.12 1.35 -1.96 -3.08 112.91 115.34 2j1k h THR 459 Ca -0.00 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.56 2j1k h THR 459 Cb 0.21 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2j1k h THR 459 CO 0.01 0.00 -0.05 -0.50 -0.25 0.00 0.00 175.52 174.73 2j1k h TRP 460 N 0.00 0.00 0.00 4.73 4.06 -1.71 -1.83 115.95 121.20 2j1k h TRP 460 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2j1k h TRP 460 Cb 0.34 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.50 2j1k h TRP 460 CO 0.00 0.05 -0.07 -0.22 -3.56 0.00 0.00 178.44 174.64 2j1k h LYS 461 N 0.00 0.00 0.00 0.49 3.64 -1.53 -2.61 116.57 116.56 2j1k h LYS 461 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2j1k h LYS 461 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2j1k h LYS 461 CO 0.01 0.07 0.00 -0.07 -2.27 0.00 0.00 179.45 177.19 2j1k h LEU 462 N 0.00 0.00 -0.09 5.20 3.38 -1.55 -1.60 115.31 120.66 2j1k h LEU 462 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2j1k h LEU 462 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2j1k h LEU 462 CO 0.01 0.00 -0.20 0.00 0.09 0.00 0.00 178.44 178.33 2j1k s MET 464 N -2.82 4.22 -0.18 0.00 -1.94 -0.60 -4.88 119.30 113.10 2j1k s MET 464 Ca 0.18 0.99 -0.29 0.00 -1.71 0.00 0.00 55.69 54.86 2j1k s MET 464 Cb 0.19 -2.44 -0.03 0.00 2.01 0.00 0.00 34.83 34.55 2j1k s MET 464 CO 0.57 0.13 1.65 -1.25 -0.01 0.00 0.00 175.02 176.10 2j1k s PRO 465 N -2.78 3.85 -0.45 2.03 0.04 -1.26 -0.80 135.00 135.63 2j1k s PRO 465 Ca 0.55 1.79 -0.41 0.00 0.04 0.00 0.00 61.00 62.97 2j1k s PRO 465 Cb -0.12 -4.04 -0.17 0.00 0.04 0.00 0.00 34.50 30.21 2j1k s PRO 465 CO 0.17 -1.23 1.66 -1.71 0.04 0.00 0.00 177.00 175.93 2j1k n ASN 466 N 8.29 0.89 0.08 6.66 2.85 -0.49 -4.77 115.26 128.77 2j1k n ASN 466 Ca 0.19 0.85 0.03 0.00 -0.11 0.00 0.00 54.58 55.54 2j1k n ASN 466 Cb 0.45 -0.80 0.42 0.00 1.24 0.00 0.00 39.78 41.09 2j1k n ASN 466 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 2j1k h ARG 467 N 6.15 0.35 0.15 1.20 2.43 -1.90 0.15 114.38 122.91 2j1k h ARG 467 Ca -0.25 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 58.66 2j1k h ARG 467 Cb 1.25 -0.06 0.02 0.00 -0.42 0.00 0.00 29.97 30.75 2j1k h ARG 467 CO 0.92 0.34 -0.94 1.49 -1.51 0.00 0.00 179.97 180.27 2j1k h GLU 468 N 0.35 0.33 -0.59 0.20 4.81 -1.99 -2.39 114.58 115.29 2j1k h GLU 468 Ca 0.08 -0.56 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 2j1k h GLU 468 Cb 0.16 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2j1k h GLU 468 CO -0.00 1.27 0.31 0.28 -0.73 0.00 0.00 179.01 180.13 2j1k h VAL 469 N -0.30 1.20 -2.06 0.32 2.07 -1.91 -3.23 116.25 112.33 2j1k h VAL 469 Ca -0.17 -0.54 -0.68 0.00 0.82 0.00 0.00 66.70 66.13 2j1k h VAL 469 Cb 1.72 0.47 -0.35 0.00 -1.52 0.00 0.00 31.29 31.61 2j1k h VAL 469 CO 0.16 0.22 0.11 -1.22 0.02 0.00 0.00 177.57 176.86 2j1k n TYR 470 N -4.56 3.38 0.16 1.57 4.01 0.51 -4.71 117.16 117.52 2j1k n TYR 470 Ca 0.04 -3.12 0.03 0.00 -0.16 0.00 0.00 57.90 54.69 2j1k n TYR 470 Cb 0.10 -0.72 0.18 0.00 -0.31 0.00 0.00 39.34 38.59 2j1k n TYR 470 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2j1k h SER 471 N 3.24 0.00 -3.58 7.72 4.64 -1.45 -3.42 113.55 120.70 2j1k h SER 471 Ca 0.36 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 61.01 2j1k h SER 471 Cb 0.45 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.38 2j1k h SER 471 CO 1.04 0.49 -0.72 0.42 -0.87 0.00 0.00 176.83 177.19 2j1k s THR 472 N -3.30 3.51 0.36 2.95 -4.23 -1.26 -5.09 115.64 108.58 2j1k s THR 472 Ca 0.01 -1.05 -0.27 0.00 -1.18 0.00 0.00 61.69 59.20 2j1k s THR 472 Cb 0.10 -2.59 -0.12 0.00 1.34 0.00 0.00 72.50 71.23 2j1k s THR 472 CO 0.72 0.23 1.20 -2.65 -0.54 0.00 0.00 174.62 173.58 2j1k n PRO 473 N 1.04 1.86 -4.41 3.99 -0.02 -1.26 -4.96 135.00 131.24 2j1k n PRO 473 Ca -0.14 0.65 -0.24 0.00 -2.02 0.00 0.00 63.50 61.75 2j1k n PRO 473 Cb 0.52 -2.22 -0.09 0.00 -0.02 0.00 0.00 33.50 31.69 2j1k n PRO 473 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2j1k s ALA 474 N -1.14 2.97 -0.02 3.55 0.00 -0.34 -4.95 121.76 121.84 2j1k s ALA 474 Ca 0.58 -1.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.55 2j1k s ALA 474 Cb -0.58 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.19 2j1k s ALA 474 CO 0.60 0.20 0.26 0.00 0.00 0.00 0.00 175.76 176.82 2j1k s ALA 475 N -2.48 -0.64 -0.17 0.00 0.00 -1.26 0.77 121.76 117.98 2j1k s ALA 475 Ca 0.32 0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 2j1k s ALA 475 Cb -0.03 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.16 2j1k s ALA 475 CO 0.17 -0.23 0.03 0.99 0.00 0.00 0.00 175.76 176.72 2j1k s THR 476 N -1.17 0.52 -0.21 0.00 2.01 -0.30 -4.99 115.64 111.50 2j1k s THR 476 Ca -0.12 -0.44 -0.15 0.00 0.31 0.00 0.00 61.69 61.29 2j1k s THR 476 Cb -0.06 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 2j1k s THR 476 CO 0.03 -0.11 0.35 -0.51 -0.69 0.00 0.00 174.62 173.69 2j1k s ILE 477 N 1.87 5.23 0.15 1.82 2.07 -1.26 -1.50 121.20 129.58 2j1k s ILE 477 Ca 0.00 0.60 0.04 0.00 -1.41 0.00 0.00 60.65 59.89 2j1k s ILE 477 Cb -0.16 -3.68 -0.04 0.00 0.13 0.00 0.00 42.46 38.70 2j1k s ILE 477 CO -0.07 0.27 -0.09 -0.94 -1.91 0.00 0.00 174.94 172.20 2j1k s SER 478 N 1.02 1.72 0.49 4.50 1.04 -0.74 -4.99 113.70 116.74 2j1k s SER 478 Ca 0.17 -1.03 -0.23 0.00 0.48 0.00 0.00 55.95 55.34 2j1k s SER 478 Cb -0.14 0.00 -0.07 0.00 0.10 0.00 0.00 66.02 65.91 2j1k s SER 478 CO 0.07 -0.36 1.30 -0.60 0.98 0.00 0.00 173.24 174.63 2j1k s ARG 479 N -3.77 3.51 -0.38 4.02 3.52 -1.26 -1.23 118.95 123.37 2j1k s ARG 479 Ca 0.17 2.10 0.01 0.00 -0.13 0.00 0.00 55.73 57.88 2j1k s ARG 479 Cb 0.03 -2.43 0.14 0.00 -1.56 0.00 0.00 34.95 31.13 2j1k s ARG 479 CO 0.01 -0.85 0.22 0.00 -0.81 0.00 0.00 175.30 173.87 2j1k n GLY 481 N 3.90 1.03 3.35 0.00 0.00 -1.26 -1.24 105.19 110.97 2j1k n GLY 481 Ca 0.11 0.30 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 2j1k n GLY 481 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j1k s LEU 482 N -1.86 2.54 -1.52 0.99 1.43 -0.68 -0.31 118.68 119.27 2j1k s LEU 482 Ca 0.54 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 2j1k s LEU 482 Cb -0.50 -1.54 0.08 0.00 0.03 0.00 0.00 46.19 44.27 2j1k s LEU 482 CO 0.63 0.21 0.96 -0.67 0.23 0.00 0.00 176.35 177.71 2j1k n ASP 483 N 3.21 -4.48 -0.19 2.29 2.03 0.88 -4.81 116.55 115.48 2j1k n ASP 483 Ca -0.18 -0.79 -0.02 0.00 0.52 0.00 0.00 54.79 54.32 2j1k n ASP 483 Cb 0.53 -3.88 0.19 0.00 -0.72 0.00 0.00 41.12 37.23 2j1k n ASP 483 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2j1k h SER 484 N -2.07 0.87 -0.08 1.67 0.02 -1.85 -0.75 113.55 111.37 2j1k h SER 484 Ca -0.58 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.23 2j1k h SER 484 Cb 1.38 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 2j1k h SER 484 CO 0.67 0.75 -0.11 0.40 -1.14 0.00 0.00 176.83 177.40 2j1k h ILE 485 N 0.95 1.39 -0.35 3.27 2.04 -1.95 0.40 117.51 123.26 2j1k h ILE 485 Ca 0.23 -1.34 -0.11 0.00 1.00 0.00 0.00 64.86 64.64 2j1k h ILE 485 Cb 0.12 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2j1k h ILE 485 CO -0.03 0.38 -0.23 0.00 0.00 0.00 0.00 178.15 178.27 2j1k h ALA 486 N 0.52 0.95 -0.14 1.87 0.00 -1.83 -2.31 119.26 118.33 2j1k h ALA 486 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2j1k h ALA 486 Cb 0.66 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2j1k h ALA 486 CO 0.03 0.61 0.00 1.33 0.00 0.00 0.00 179.25 181.21 2j1k n VAL 487 N -4.11 0.17 -3.95 0.00 0.24 -0.33 -4.96 118.33 105.38 2j1k n VAL 487 Ca 0.00 -0.33 -0.27 0.00 -2.04 0.00 0.00 64.34 61.71 2j1k n VAL 487 Cb 0.42 0.39 -0.01 0.00 -1.47 0.00 0.00 33.84 33.17 2j1k n VAL 487 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2j1k n ASP 488 N 0.28 -1.10 -2.72 -1.34 2.03 -0.36 -2.43 116.55 110.91 2j1k n ASP 488 Ca 0.17 -0.97 -0.18 0.00 0.52 0.00 0.00 54.79 54.33 2j1k n ASP 488 Cb 0.33 -3.20 0.00 0.00 -0.72 0.00 0.00 41.12 37.54 2j1k n ASP 488 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2j1k n GLY 489 N -1.84 -0.50 3.65 0.27 0.00 0.12 -4.90 105.19 101.99 2j1k n GLY 489 Ca -0.24 0.04 -0.48 0.00 0.00 0.00 0.00 46.02 45.35 2j1k n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j1k n ALA 490 N -2.69 0.68 -0.34 4.61 0.00 -1.02 -4.84 120.51 116.90 2j1k n ALA 490 Ca -0.14 0.45 0.15 0.00 0.00 0.00 0.00 53.44 53.90 2j1k n ALA 490 Cb 0.62 -2.29 0.36 0.00 0.00 0.00 0.00 19.45 18.14 2j1k n ALA 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2j1k h PRO 491 N 5.86 0.67 -0.97 0.00 0.11 -1.93 -1.17 132.00 134.57 2j1k h PRO 491 Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2j1k h PRO 491 Cb 1.28 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2j1k h PRO 491 CO 0.87 0.44 0.01 -1.13 -0.21 0.00 0.00 178.00 177.98 2j1k n SER 492 N -4.76 1.66 -0.29 -2.05 3.41 -1.26 -3.32 113.62 107.00 2j1k n SER 492 Ca 0.24 -2.08 0.07 0.00 -0.26 0.00 0.00 58.87 56.84 2j1k n SER 492 Cb 0.63 -0.52 0.14 0.00 -0.26 0.00 0.00 64.21 64.21 2j1k n SER 492 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2j1k n ARG 493 N 0.11 2.17 -4.07 4.33 5.12 -0.44 -1.88 116.66 121.99 2j1k n ARG 493 Ca 0.02 -2.36 -0.32 0.00 -1.93 0.00 0.00 57.85 53.26 2j1k n ARG 493 Cb 0.37 -1.45 -0.07 0.00 -1.16 0.00 0.00 32.46 30.15 2j1k n ARG 493 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2j1k s SER 494 N -2.09 5.69 0.00 0.55 0.01 -1.21 -1.69 113.70 114.96 2j1k s SER 494 Ca 0.27 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.64 2j1k s SER 494 Cb 0.22 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2j1k s SER 494 CO 0.05 0.24 0.00 2.30 0.41 0.00 0.00 173.24 176.24 2j1k n ILE 495 N 0.92 0.00 -4.45 1.44 -5.35 -0.37 -4.40 119.36 107.14 2j1k n ILE 495 Ca -0.11 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.06 2j1k n ILE 495 Cb 0.52 -0.12 -0.11 0.00 -1.74 0.00 0.00 39.64 38.19 2j1k n ILE 495 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2j1k s ASP 496 N -0.71 4.16 -0.15 7.28 1.01 -0.46 0.03 116.67 127.82 2j1k s ASP 496 Ca 0.00 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 52.90 2j1k s ASP 496 Cb 0.00 -0.77 0.02 0.00 1.01 0.00 0.00 42.92 43.18 2j1k s ASP 496 CO 0.00 0.23 -0.16 0.00 0.21 0.00 0.00 175.17 175.45 2j1k s MET 498 N 1.34 3.90 -0.28 0.00 1.75 0.06 -1.80 119.30 124.26 2j1k s MET 498 Ca 0.03 -0.36 -0.23 0.00 -1.25 0.00 0.00 55.69 53.88 2j1k s MET 498 Cb -0.13 -3.39 -0.01 0.00 2.84 0.00 0.00 34.83 34.14 2j1k s MET 498 CO -0.10 0.01 0.75 -1.17 -0.65 0.00 0.00 175.02 173.87 2j1k s LEU 499 N 1.12 4.09 -0.21 4.11 2.96 -0.56 -0.76 118.68 129.43 2j1k s LEU 499 Ca 0.06 0.72 -0.10 0.00 -0.22 0.00 0.00 54.13 54.59 2j1k s LEU 499 Cb -0.14 -3.03 -0.05 0.00 0.50 0.00 0.00 46.19 43.47 2j1k s LEU 499 CO 0.04 -0.54 0.13 -0.63 -1.32 0.00 0.00 176.35 174.04 2j1k s ILE 500 N 2.81 5.35 -0.26 6.68 1.01 0.26 -1.15 121.20 135.91 2j1k s ILE 500 Ca 0.31 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 61.06 2j1k s ILE 500 Cb -0.15 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 2j1k s ILE 500 CO 0.11 0.42 0.08 -0.63 0.00 0.00 0.00 174.94 174.91 2j1k s ILE 501 N 0.55 4.31 -1.31 2.92 1.01 0.23 -1.27 121.20 127.63 2j1k s ILE 501 Ca 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 2j1k s ILE 501 Cb -0.12 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2j1k s ILE 501 CO -0.00 0.28 0.32 0.59 0.00 0.00 0.00 174.94 176.13 2j1k n ASN 502 N 4.93 -5.13 -4.67 3.58 3.02 -0.48 -1.19 115.26 115.31 2j1k n ASN 502 Ca -0.16 -0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 53.81 2j1k n ASN 502 Cb 0.51 -4.07 -0.02 0.00 -0.61 0.00 0.00 39.78 35.59 2j1k n ASN 502 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2j1k s LYS 503 N -5.24 4.28 0.11 3.52 2.20 -1.26 -4.30 119.74 119.05 2j1k s LYS 503 Ca 0.16 1.75 -0.35 0.00 -0.36 0.00 0.00 55.97 57.17 2j1k s LYS 503 Cb -0.07 -3.68 -0.17 0.00 -1.51 0.00 0.00 37.83 32.40 2j1k s LYS 503 CO 0.19 -0.61 1.15 -2.30 -0.36 0.00 0.00 175.35 173.42 2j1k n PRO 504 N 5.98 0.82 -3.58 4.03 -0.02 -1.26 -4.69 135.00 136.29 2j1k n PRO 504 Ca 0.13 0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 2j1k n PRO 504 Cb 0.45 -1.80 -0.12 0.00 -0.02 0.00 0.00 33.50 32.01 2j1k n PRO 504 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2j1k s LYS 505 N -0.08 0.22 7.35 -0.52 2.47 -1.26 -5.11 119.74 122.81 2j1k s LYS 505 Ca 0.80 0.68 0.00 0.00 -1.56 0.00 0.00 55.97 55.89 2j1k s LYS 505 Cb -0.98 -0.23 0.00 0.00 -1.46 0.00 0.00 37.83 35.16 2j1k s LYS 505 CO 0.52 -0.40 0.00 0.41 0.16 0.00 0.00 175.35 176.04 2j1k n GLY 506 N 5.36 3.30 1.59 5.54 0.00 -1.26 -1.76 105.19 117.96 2j1k n GLY 506 Ca -0.06 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.84 2j1k n GLY 506 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2j1k n VAL 507 N 0.00 2.16 -2.17 1.61 0.24 -1.26 -4.99 118.33 113.92 2j1k n VAL 507 Ca 0.00 -1.33 -0.38 0.00 -2.04 0.00 0.00 64.34 60.59 2j1k n VAL 507 Cb 0.00 -0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 32.34 2j1k n VAL 507 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2j1k s ALA 508 N -2.21 3.09 -0.18 2.33 0.00 -0.72 -4.95 121.76 119.12 2j1k s ALA 508 Ca 0.51 1.06 -0.08 0.00 0.00 0.00 0.00 51.96 53.45 2j1k s ALA 508 Cb 0.35 -3.43 -0.22 0.00 0.00 0.00 0.00 23.12 19.83 2j1k s ALA 508 CO 0.20 -0.73 0.14 2.41 0.00 0.00 0.00 175.76 177.78 2j1k n THR 509 N -0.20 1.65 -4.76 0.00 -1.04 -0.50 -4.68 114.28 104.75 2j1k n THR 509 Ca 0.06 -0.51 -0.28 0.00 -2.04 0.00 0.00 64.05 61.28 2j1k n THR 509 Cb 0.46 -1.72 -0.14 0.00 -1.82 0.00 0.00 70.33 67.11 2j1k n THR 509 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2j1k s TYR 510 N -2.51 2.04 0.03 -1.42 2.02 -0.87 -5.00 117.35 111.63 2j1k s TYR 510 Ca -0.28 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 2j1k s TYR 510 Cb 0.08 -1.22 -0.02 0.00 -0.40 0.00 0.00 41.96 40.40 2j1k s TYR 510 CO 0.68 0.11 -0.10 0.95 -1.57 0.00 0.00 175.55 175.62 2j1k s THR 511 N -0.80 0.73 -0.13 -0.71 -4.23 -1.26 -0.83 115.64 108.40 2j1k s THR 511 Ca 0.09 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 2j1k s THR 511 Cb -0.09 -0.70 0.02 0.00 1.34 0.00 0.00 72.50 73.07 2j1k s THR 511 CO 0.02 -0.11 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.09 2j1k s LEU 512 N -1.05 1.66 -0.16 4.79 1.43 -0.59 -1.38 118.68 123.38 2j1k s LEU 512 Ca -0.03 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2j1k s LEU 512 Cb -0.07 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.03 2j1k s LEU 512 CO 0.01 -0.03 -0.15 -0.89 0.23 0.00 0.00 176.35 175.51 2j1k s THR 513 N 1.31 2.64 -0.41 5.49 2.01 -0.40 0.03 115.64 126.30 2j1k s THR 513 Ca 0.00 -0.77 -0.17 0.00 0.31 0.00 0.00 61.69 61.06 2j1k s THR 513 Cb -0.14 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.27 2j1k s THR 513 CO -0.07 0.51 0.42 -0.36 -0.69 0.00 0.00 174.62 174.44 2j1k s PHE 514 N 0.93 3.18 -0.21 4.92 0.08 -0.19 -0.57 117.98 126.11 2j1k s PHE 514 Ca -0.03 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 56.64 2j1k s PHE 514 Cb -0.15 -2.86 -0.01 0.00 -0.57 0.00 0.00 43.02 39.44 2j1k s PHE 514 CO -0.02 -0.67 -0.05 0.50 -0.10 0.00 0.00 175.22 174.88 2j1k s ARG 515 N 2.10 3.36 -0.25 0.44 3.52 0.06 0.36 118.95 128.55 2j1k s ARG 515 Ca 0.12 -0.64 -0.13 0.00 -0.13 0.00 0.00 55.73 54.96 2j1k s ARG 515 Cb -0.17 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.20 2j1k s ARG 515 CO 0.13 -0.18 0.26 -0.06 -0.81 0.00 0.00 175.30 174.64 2j1k s PHE 516 N 1.42 3.28 0.12 5.12 0.08 0.33 -0.76 117.98 127.58 2j1k s PHE 516 Ca 0.05 0.31 0.03 0.00 0.12 0.00 0.00 56.93 57.44 2j1k s PHE 516 Cb -0.14 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.85 2j1k s PHE 516 CO -0.03 -0.08 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.42 2j1k s LEU 517 N 1.55 2.48 -1.30 -0.37 1.43 -0.07 -2.55 118.68 119.84 2j1k s LEU 517 Ca 0.11 -1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 2j1k s LEU 517 Cb -0.15 -0.18 0.01 0.00 0.03 0.00 0.00 46.19 45.90 2j1k s LEU 517 CO 0.08 -0.42 1.12 0.59 0.23 0.00 0.00 176.35 177.95 2j1k n ASN 518 N -0.12 -4.74 0.31 2.29 3.02 -1.26 -1.36 115.26 113.40 2j1k n ASN 518 Ca -0.11 -0.57 0.19 0.00 -0.03 0.00 0.00 54.58 54.06 2j1k n ASN 518 Cb 0.61 -5.07 1.03 0.00 -0.61 0.00 0.00 39.78 35.73 2j1k n ASN 518 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2j1k h PHE 519 N -2.41 0.00 0.00 3.10 0.04 -1.85 -2.02 116.94 113.81 2j1k h PHE 519 Ca -0.58 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.19 2j1k h PHE 519 Cb 1.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.51 2j1k h PHE 519 CO 0.48 0.02 0.00 0.27 -0.60 0.00 0.00 178.31 178.47 2j1k n ASN 520 N -3.40 0.00 0.26 2.17 6.94 -1.13 -1.33 115.26 118.77 2j1k n ASN 520 Ca -0.03 -0.17 0.13 0.00 -0.02 0.00 0.00 54.58 54.49 2j1k n ASN 520 Cb 0.11 -0.20 0.69 0.00 -2.36 0.00 0.00 39.78 38.01 2j1k n ASN 520 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2j1k h ARG 521 N 0.00 0.00 -6.87 -3.83 3.08 -1.65 -3.46 114.38 101.65 2j1k h ARG 521 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 2j1k h ARG 521 Cb 0.13 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.23 2j1k h ARG 521 CO 0.00 0.13 0.56 -0.51 -1.07 0.00 0.00 179.97 179.08 2j1k s LEU 522 N -7.00 4.41 0.28 3.04 1.43 -0.44 -4.72 118.68 115.68 2j1k s LEU 522 Ca -0.02 2.49 0.24 0.00 -1.03 0.00 0.00 54.13 55.81 2j1k s LEU 522 Cb 0.12 -3.73 0.51 0.00 0.03 0.00 0.00 46.19 43.12 2j1k s LEU 522 CO 0.58 -0.45 1.59 0.77 0.23 0.00 0.00 176.35 179.07 2j1k h SER 523 N 3.33 0.00 -1.87 2.29 4.64 -1.70 -3.42 113.55 116.82 2j1k h SER 523 Ca -0.48 -0.03 0.34 0.00 -0.47 0.00 0.00 61.79 61.15 2j1k h SER 523 Cb 1.22 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.25 2j1k h SER 523 CO 0.65 0.01 0.87 0.61 -0.87 0.00 0.00 176.83 178.10 2j1k n GLY 524 N 1.23 0.18 3.62 -0.77 0.00 -1.26 -5.01 105.19 103.17 2j1k n GLY 524 Ca 0.04 -1.01 -0.52 0.00 0.00 0.00 0.00 46.02 44.53 2j1k n GLY 524 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j1k n GLY 525 N -0.86 0.61 2.93 -0.02 0.00 -1.26 -4.50 105.19 102.09 2j1k n GLY 525 Ca 0.05 0.73 -0.18 0.00 0.00 0.00 0.00 46.02 46.63 2j1k n GLY 525 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j1k s THR 526 N 1.03 0.47 0.14 2.61 2.01 0.69 -4.94 115.64 117.65 2j1k s THR 526 Ca 0.86 -0.17 -0.32 0.00 0.31 0.00 0.00 61.69 62.37 2j1k s THR 526 Cb -0.94 -0.45 -0.11 0.00 0.01 0.00 0.00 72.50 71.01 2j1k s THR 526 CO 0.49 0.17 1.80 -0.11 -0.69 0.00 0.00 174.62 176.27 2j1k n LEU 527 N 3.48 3.95 -3.64 4.42 7.94 -1.26 0.04 117.00 131.93 2j1k n LEU 527 Ca -0.19 1.01 -0.41 0.00 -1.11 0.00 0.00 56.01 55.30 2j1k n LEU 527 Cb 0.54 -1.54 -0.01 0.00 0.53 0.00 0.00 43.42 42.95 2j1k n LEU 527 CO 0.24 0.14 2.78 0.33 -1.11 0.00 0.00 177.39 179.78 2j1k n PHE 528 N 5.12 3.19 -3.92 1.96 7.35 0.41 -3.93 117.46 127.65 2j1k n PHE 528 Ca 0.18 -2.98 -0.32 0.00 -0.76 0.00 0.00 57.45 53.57 2j1k n PHE 528 Cb 0.36 -2.47 -0.13 0.00 0.35 0.00 0.00 39.48 37.59 2j1k n PHE 528 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2j1k s LYS 529 N 2.57 1.97 0.56 -4.13 2.20 -1.26 -0.77 119.74 120.88 2j1k s LYS 529 Ca 0.52 -2.41 -0.15 0.00 -0.36 0.00 0.00 55.97 53.57 2j1k s LYS 529 Cb 0.15 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 33.03 2j1k s LYS 529 CO -0.07 -1.08 1.01 0.95 -0.36 0.00 0.00 175.35 175.80 2j1k s THR 530 N 0.07 4.35 1.03 3.43 -4.23 0.53 -0.08 115.64 120.74 2j1k s THR 530 Ca 0.15 1.05 -0.12 0.00 -1.18 0.00 0.00 61.69 61.59 2j1k s THR 530 Cb -0.23 -3.64 0.17 0.00 1.34 0.00 0.00 72.50 70.14 2j1k s THR 530 CO -0.02 -0.71 0.85 0.47 -0.54 0.00 0.00 174.62 174.67 2j1k n ASP 531 N -1.93 -1.02 -4.67 3.99 9.92 0.57 -4.45 116.55 118.96 2j1k n ASP 531 Ca 0.07 0.16 -0.42 0.00 -0.53 0.00 0.00 54.79 54.07 2j1k n ASP 531 Cb 0.54 -1.31 -0.03 0.00 -0.64 0.00 0.00 41.12 39.68 2j1k n ASP 531 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2j1k s VAL 532 N -2.48 3.84 -0.09 2.53 1.01 -1.26 -4.50 120.40 119.45 2j1k s VAL 532 Ca 0.65 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.72 2j1k s VAL 532 Cb -0.22 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2j1k s VAL 532 CO 0.63 -0.06 -0.01 -0.76 0.00 0.00 0.00 175.10 174.90 2j1k s LEU 533 N 3.18 3.53 -0.07 3.92 1.43 0.13 -4.95 118.68 125.85 2j1k s LEU 533 Ca 0.64 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.88 2j1k s LEU 533 Cb -0.29 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.14 2j1k s LEU 533 CO 0.24 0.37 -0.12 -0.89 0.23 0.00 0.00 176.35 176.17 2j1k s THR 534 N -0.82 1.15 0.30 5.49 2.01 -1.26 -1.03 115.64 121.48 2j1k s THR 534 Ca 0.12 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.67 2j1k s THR 534 Cb -0.11 -1.05 -0.06 0.00 0.01 0.00 0.00 72.50 71.29 2j1k s THR 534 CO 0.02 0.36 0.06 -0.36 -0.69 0.00 0.00 174.62 174.01 2j1k s PHE 535 N 0.65 1.81 -0.08 4.92 0.08 0.11 -4.99 117.98 120.48 2j1k s PHE 535 Ca -0.15 -1.01 -0.07 0.00 0.12 0.00 0.00 56.93 55.82 2j1k s PHE 535 Cb -0.16 -1.14 0.03 0.00 -0.57 0.00 0.00 43.02 41.18 2j1k s PHE 535 CO 0.04 -0.09 0.21 0.99 -0.10 0.00 0.00 175.22 176.27 2j1k s THR 536 N -3.43 -0.01 0.21 0.64 2.01 -1.26 -0.42 115.64 113.37 2j1k s THR 536 Ca 0.36 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.34 2j1k s THR 536 Cb 0.08 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.26 2j1k s THR 536 CO 0.14 0.02 0.27 -0.72 -0.69 0.00 0.00 174.62 173.64 2j1k s TYR 537 N 0.40 0.73 -0.08 4.92 -0.85 -0.72 -5.01 117.35 116.74 2j1k s TYR 537 Ca -0.02 -1.04 -0.30 0.00 -0.52 0.00 0.00 57.07 55.19 2j1k s TYR 537 Cb -0.04 -0.21 -0.02 0.00 0.38 0.00 0.00 41.96 42.08 2j1k s TYR 537 CO -0.02 -0.77 1.04 0.08 -1.52 0.00 0.00 175.55 174.36 2j1k s VAL 538 N -4.07 4.69 0.74 -3.49 1.01 -1.26 -0.93 120.40 117.08 2j1k s VAL 538 Ca 0.29 1.96 -0.12 0.00 0.00 0.00 0.00 61.98 64.10 2j1k s VAL 538 Cb 0.04 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 32.20 2j1k s VAL 538 CO 0.08 0.02 1.11 -0.83 0.00 0.00 0.00 175.10 175.48 2j1k s GLY 539 N 1.15 1.90 0.55 4.51 0.00 0.16 -1.40 107.32 114.18 2j1k s GLY 539 Ca 0.50 0.43 -0.16 0.00 0.00 0.00 0.00 44.72 45.49 2j1k s GLY 539 CO 0.20 0.79 1.02 1.85 0.00 0.00 0.00 173.10 176.96 2j1k s GLU 540 N -4.52 3.65 0.15 2.90 2.56 0.02 -4.20 118.70 119.27 2j1k s GLU 540 Ca 0.64 1.09 -0.23 0.00 0.00 0.00 0.00 54.97 56.48 2j1k s GLU 540 Cb -0.19 -2.09 -0.08 0.00 2.00 0.00 0.00 34.13 33.77 2j1k s GLU 540 CO 0.50 -0.53 0.71 -0.80 -0.56 0.00 0.00 175.26 174.58 2j1k s ASN 541 N -2.87 7.25 0.00 -1.70 0.01 -1.26 -4.49 114.94 111.87 2j1k s ASN 541 Ca 0.62 1.51 0.00 0.00 -0.71 0.00 0.00 52.86 54.27 2j1k s ASN 541 Cb -0.13 -2.45 0.00 0.00 0.41 0.00 0.00 41.25 39.08 2j1k s ASN 541 CO 0.33 0.20 0.30 1.67 -1.51 0.00 0.00 177.10 178.09