#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k13 h ILE 351 N 0.00 1.26 -3.31 6.31 2.10 -2.04 -3.20 117.51 118.62 3k13 h ILE 351 Ca 0.00 -1.02 -0.77 0.00 1.08 0.00 0.00 64.86 64.15 3k13 h ILE 351 Cb 0.00 1.11 -0.30 0.00 -1.09 0.00 0.00 36.82 36.53 3k13 h ILE 351 CO 0.00 0.35 0.36 0.59 -1.08 0.00 0.00 178.15 178.37 3k13 n ASN 352 N -4.43 5.34 -3.68 2.19 4.13 -1.26 -4.93 115.26 112.63 3k13 n ASN 352 Ca -0.01 -3.16 -0.09 0.00 1.68 0.00 0.00 54.58 53.00 3k13 n ASN 352 Cb 0.29 -1.25 -0.10 0.00 -1.54 0.00 0.00 39.78 37.18 3k13 n ASN 352 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3k13 s PHE 353 N -1.69 -0.73 -0.33 3.10 5.36 -1.21 -4.73 117.98 117.76 3k13 s PHE 353 Ca 0.31 1.46 -0.14 0.00 -0.96 0.00 0.00 56.93 57.60 3k13 s PHE 353 Cb -0.05 0.32 -0.02 0.00 -0.34 0.00 0.00 43.02 42.93 3k13 s PHE 353 CO -0.05 -0.41 0.32 0.08 -1.46 0.00 0.00 175.22 173.70 3k13 s VAL 354 N 1.87 5.21 -0.17 3.12 1.01 -0.38 -5.04 120.40 126.02 3k13 s VAL 354 Ca -0.07 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 3k13 s VAL 354 Cb -0.09 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3k13 s VAL 354 CO -0.14 -0.02 0.89 0.20 0.00 0.00 0.00 175.10 176.03 3k13 s ASN 355 N 1.73 7.01 -0.29 3.32 0.01 -1.26 -1.99 114.94 123.45 3k13 s ASN 355 Ca 0.10 1.24 -0.11 0.00 -0.71 0.00 0.00 52.86 53.39 3k13 s ASN 355 Cb -0.17 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 3k13 s ASN 355 CO 0.11 -0.45 0.19 -0.63 -1.51 0.00 0.00 177.10 174.81 3k13 s ILE 356 N 2.32 5.16 0.11 0.60 1.01 0.52 -0.93 121.20 130.00 3k13 s ILE 356 Ca 0.40 -0.00 -0.31 0.00 0.00 0.00 0.00 60.65 60.74 3k13 s ILE 356 Cb -0.16 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3k13 s ILE 356 CO 0.12 0.18 1.43 -0.83 0.00 0.00 0.00 174.94 175.84 3k13 s GLY 357 N 1.73 1.89 0.05 6.18 0.00 -0.04 -0.50 107.32 116.63 3k13 s GLY 357 Ca 0.07 1.14 0.24 0.00 0.00 0.00 0.00 44.72 46.16 3k13 s GLY 357 CO 0.10 2.42 1.21 -1.84 0.00 0.00 0.00 173.10 174.99 3k13 n GLU 358 N 4.14 0.19 0.23 2.90 0.28 -0.04 -1.66 120.64 126.67 3k13 n GLU 358 Ca 0.12 0.02 0.13 0.00 -0.16 0.00 0.00 57.16 57.27 3k13 n GLU 358 Cb 0.42 -1.58 0.28 0.00 1.43 0.00 0.00 31.44 31.98 3k13 n GLU 358 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3k13 h ARG 359 N 0.00 0.00 -2.92 3.44 3.08 -1.83 -3.33 114.38 112.83 3k13 h ARG 359 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 3k13 h ARG 359 Cb 0.65 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 3k13 h ARG 359 CO 0.00 0.01 3.22 0.00 -1.07 0.00 0.00 179.97 182.13 3k13 s ASN 361 N 1.48 2.30 0.56 0.00 3.84 -1.25 -1.11 114.94 120.77 3k13 s ASN 361 Ca 0.62 -0.57 0.33 0.00 0.21 0.00 0.00 52.86 53.44 3k13 s ASN 361 Cb 0.18 -0.28 1.64 0.00 -0.55 0.00 0.00 41.25 42.24 3k13 s ASN 361 CO -0.07 -0.33 2.12 -0.37 -2.79 0.00 0.00 177.10 175.65 3k13 h VAL 362 N 6.43 0.31 0.00 -5.21 -1.51 -1.24 0.68 116.25 115.72 3k13 h VAL 362 Ca -0.15 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 3k13 h VAL 362 Cb 1.14 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 3k13 h VAL 362 CO 0.28 0.07 -0.83 0.00 -1.23 0.00 0.00 177.57 175.86 3k13 h ALA 363 N 1.93 0.54 -0.01 5.19 0.00 -1.80 -3.37 119.26 121.74 3k13 h ALA 363 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k13 h ALA 363 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3k13 h ALA 363 CO 0.01 0.00 -0.47 0.41 0.00 0.00 0.00 179.25 179.20 3k13 n GLY 364 N 1.24 -0.19 2.78 0.00 0.00 -0.56 -4.90 105.19 103.57 3k13 n GLY 364 Ca 0.01 -0.42 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 3k13 n GLY 364 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k13 s SER 365 N -2.04 1.23 0.27 1.61 0.15 0.12 -4.98 113.70 110.06 3k13 s SER 365 Ca 0.10 -0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.63 3k13 s SER 365 Cb 0.12 0.36 0.34 0.00 -1.71 0.00 0.00 66.02 65.13 3k13 s SER 365 CO 0.47 -0.31 1.92 0.03 1.20 0.00 0.00 173.24 176.56 3k13 h ARG 366 N 8.32 1.17 0.16 5.44 3.08 -1.86 -1.41 114.38 129.29 3k13 h ARG 366 Ca -0.16 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 3k13 h ARG 366 Cb 1.14 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3k13 h ARG 366 CO 0.24 0.81 -0.08 -0.22 -1.07 0.00 0.00 179.97 179.66 3k13 h LYS 367 N 1.19 -0.21 -0.75 0.04 3.64 -1.95 -1.74 116.57 116.79 3k13 h LYS 367 Ca 0.31 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.74 3k13 h LYS 367 Cb -0.07 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 3k13 h LYS 367 CO -0.06 -0.12 0.47 0.35 -2.27 0.00 0.00 179.45 177.81 3k13 h PHE 368 N -0.23 0.88 -0.54 1.91 3.57 -1.75 -0.27 116.94 120.50 3k13 h PHE 368 Ca -0.02 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3k13 h PHE 368 Cb 0.18 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 3k13 h PHE 368 CO -0.06 0.49 0.27 1.25 -2.23 0.00 0.00 178.31 178.03 3k13 h LEU 369 N 0.90 0.38 -0.46 0.59 5.85 -1.12 -1.75 115.31 119.71 3k13 h LEU 369 Ca 0.31 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 3k13 h LEU 369 Cb 0.04 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3k13 h LEU 369 CO -0.12 0.26 0.13 -0.09 -0.34 0.00 0.00 178.44 178.28 3k13 h ARG 370 N 0.52 0.72 -0.53 1.25 2.43 -0.36 -1.25 114.38 117.16 3k13 h ARG 370 Ca 0.24 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3k13 h ARG 370 Cb 0.17 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3k13 h ARG 370 CO -0.18 0.70 0.33 -0.07 -1.51 0.00 0.00 179.97 179.24 3k13 h LEU 371 N 0.61 0.63 -0.01 3.80 3.38 -0.65 0.24 115.31 123.31 3k13 h LEU 371 Ca 0.15 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k13 h LEU 371 Cb 0.29 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3k13 h LEU 371 CO -0.00 0.49 0.00 0.58 0.09 0.00 0.00 178.44 179.60 3k13 h VAL 372 N 0.72 1.21 -0.45 1.22 2.07 -1.25 0.13 116.25 119.89 3k13 h VAL 372 Ca 0.19 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.12 3k13 h VAL 372 Cb -0.04 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3k13 h VAL 372 CO -0.04 0.16 0.30 -1.13 0.02 0.00 0.00 177.57 176.88 3k13 h ASN 373 N -0.23 0.45 -0.03 0.57 -1.24 -0.88 0.13 115.58 114.36 3k13 h ASN 373 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3k13 h ASN 373 Cb 0.26 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.20 3k13 h ASN 373 CO 0.00 0.32 0.00 -0.62 -1.29 0.00 0.00 177.43 175.84 3k13 n GLU 374 N -4.48 1.54 -2.87 6.67 1.02 0.04 -4.93 120.64 117.64 3k13 n GLU 374 Ca 0.04 -0.79 -0.19 0.00 -0.02 0.00 0.00 57.16 56.21 3k13 n GLU 374 Cb 0.12 -1.47 0.03 0.00 -0.02 0.00 0.00 31.44 30.10 3k13 n GLU 374 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3k13 n LYS 375 N -0.04 -3.99 -2.64 3.49 5.02 0.03 -4.91 118.16 115.13 3k13 n LYS 375 Ca 0.20 0.76 -0.42 0.00 -2.02 0.00 0.00 58.31 56.83 3k13 n LYS 375 Cb 0.30 -5.30 0.01 0.00 -0.02 0.00 0.00 35.03 30.02 3k13 n LYS 375 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3k13 n LYS 376 N -3.45 4.67 0.19 1.97 5.02 -0.06 -4.78 118.16 121.72 3k13 n LYS 376 Ca -0.10 -4.27 0.03 0.00 -2.02 0.00 0.00 58.31 51.96 3k13 n LYS 376 Cb 0.60 -2.58 0.37 0.00 -0.02 0.00 0.00 35.03 33.40 3k13 n LYS 376 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3k13 h TYR 377 N 4.98 0.00 -0.35 2.13 0.05 -1.91 -1.35 116.97 120.52 3k13 h TYR 377 Ca 0.41 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.20 3k13 h TYR 377 Cb 0.48 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 3k13 h TYR 377 CO 1.24 0.37 0.22 0.38 -1.05 0.00 0.00 178.16 179.31 3k13 h ASP 378 N 0.00 0.36 -0.51 3.88 2.03 -1.97 0.28 116.42 120.49 3k13 h ASP 378 Ca -0.00 -0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.17 3k13 h ASP 378 Cb 0.67 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.07 3k13 h ASP 378 CO 0.05 0.26 -0.14 -0.33 -1.03 0.00 0.00 179.24 178.05 3k13 h GLU 379 N 0.44 1.01 -0.89 4.15 5.08 -1.86 -1.62 114.58 120.89 3k13 h GLU 379 Ca 0.13 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3k13 h GLU 379 Cb -0.02 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3k13 h GLU 379 CO -0.05 1.07 0.49 0.00 -1.00 0.00 0.00 179.01 179.52 3k13 h ALA 380 N 0.94 1.13 -0.24 3.43 0.00 -1.08 -2.48 119.26 120.97 3k13 h ALA 380 Ca 0.13 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3k13 h ALA 380 Cb 0.71 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3k13 h ALA 380 CO 0.05 0.64 -0.12 1.25 0.00 0.00 0.00 179.25 181.07 3k13 h LEU 381 N 1.24 0.37 -1.76 0.00 5.85 -0.63 -2.40 115.31 117.98 3k13 h LEU 381 Ca 0.31 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.99 3k13 h LEU 381 Cb 0.02 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3k13 h LEU 381 CO -0.05 0.53 0.24 0.28 -0.34 0.00 0.00 178.44 179.10 3k13 h SER 382 N 0.37 0.27 -0.61 1.25 0.02 -0.83 -0.64 113.55 113.37 3k13 h SER 382 Ca 0.07 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 3k13 h SER 382 Cb 0.44 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3k13 h SER 382 CO 0.03 0.18 0.02 0.40 -1.14 0.00 0.00 176.83 176.32 3k13 h ILE 383 N 0.31 1.26 -0.19 3.27 2.04 -1.32 0.45 117.51 123.33 3k13 h ILE 383 Ca 0.15 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3k13 h ILE 383 Cb 0.21 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3k13 h ILE 383 CO -0.03 0.41 0.05 0.00 0.00 0.00 0.00 178.15 178.59 3k13 h ALA 384 N 1.03 0.25 -0.31 1.87 0.00 -1.33 -2.58 119.26 118.19 3k13 h ALA 384 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3k13 h ALA 384 Cb 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3k13 h ALA 384 CO 0.03 -0.12 0.19 -0.09 0.00 0.00 0.00 179.25 179.26 3k13 h ARG 385 N 0.13 0.38 -0.89 0.00 2.43 -0.89 -1.85 114.38 113.67 3k13 h ARG 385 Ca 0.06 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3k13 h ARG 385 Cb 0.24 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 3k13 h ARG 385 CO -0.00 0.25 0.59 0.37 -1.51 0.00 0.00 179.97 179.67 3k13 h GLN 386 N 0.39 1.13 -0.61 0.20 5.75 -0.92 -0.51 115.11 120.54 3k13 h GLN 386 Ca 0.12 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 3k13 h GLN 386 Cb -0.01 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.26 3k13 h GLN 386 CO -0.05 0.75 0.03 1.96 -2.65 0.00 0.00 178.83 178.87 3k13 h GLN 387 N 1.16 1.05 -0.78 1.69 4.20 -0.99 0.35 115.11 121.79 3k13 h GLN 387 Ca 0.34 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3k13 h GLN 387 Cb -0.05 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 3k13 h GLN 387 CO -0.09 1.01 0.30 0.28 -0.67 0.00 0.00 178.83 179.66 3k13 h VAL 388 N 0.97 1.26 -0.32 -0.54 2.07 -0.68 -1.06 116.25 117.95 3k13 h VAL 388 Ca 0.18 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3k13 h VAL 388 Cb 0.51 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3k13 h VAL 388 CO 0.02 0.34 -0.08 -0.33 0.02 0.00 0.00 177.57 177.54 3k13 h GLU 389 N 1.14 0.53 0.00 1.57 5.08 -0.65 -2.39 114.58 119.86 3k13 h GLU 389 Ca 0.26 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3k13 h GLU 389 Cb 0.23 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3k13 h GLU 389 CO -0.02 0.62 0.00 -0.25 -1.00 0.00 0.00 179.01 178.36 3k13 n ASP 390 N -4.22 0.00 0.00 1.42 8.00 0.07 -4.89 116.55 116.92 3k13 n ASP 390 Ca 0.01 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.02 3k13 n ASP 390 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 3k13 n ASP 390 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k13 n GLY 391 N 0.74 0.74 3.73 0.44 0.00 -0.90 -4.77 105.19 105.17 3k13 n GLY 391 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3k13 n GLY 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k13 n ALA 392 N -1.01 2.71 0.79 4.61 0.00 -0.44 -4.68 120.51 122.49 3k13 n ALA 392 Ca 0.00 0.39 0.09 0.00 0.00 0.00 0.00 53.44 53.92 3k13 n ALA 392 Cb 0.00 -2.50 0.07 0.00 0.00 0.00 0.00 19.45 17.02 3k13 n ALA 392 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k13 n LEU 393 N 3.22 2.45 -3.83 0.00 4.77 -0.11 -4.50 117.00 119.02 3k13 n LEU 393 Ca 0.13 -0.97 -0.12 0.00 -0.03 0.00 0.00 56.01 55.02 3k13 n LEU 393 Cb 0.36 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 3k13 n LEU 393 CO 0.64 0.43 -0.14 -0.69 -1.33 0.00 0.00 177.39 176.29 3k13 s VAL 394 N -1.65 0.03 -0.23 4.08 1.01 -1.19 -3.99 120.40 118.47 3k13 s VAL 394 Ca 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 3k13 s VAL 394 Cb 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 36.18 3k13 s VAL 394 CO 0.27 -0.15 -0.06 -0.63 0.00 0.00 0.00 175.10 174.53 3k13 s ILE 395 N -0.53 3.18 -0.04 2.22 -1.09 -0.67 -0.86 121.20 123.42 3k13 s ILE 395 Ca -0.06 -0.65 -0.27 0.00 -2.23 0.00 0.00 60.65 57.45 3k13 s ILE 395 Cb -0.04 -2.48 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 3k13 s ILE 395 CO 0.01 0.38 0.84 -0.62 -1.23 0.00 0.00 174.94 174.31 3k13 s ASP 396 N 1.43 7.17 -0.14 3.58 2.15 -0.67 -4.43 116.67 125.77 3k13 s ASP 396 Ca 0.05 1.42 0.02 0.00 0.43 0.00 0.00 52.55 54.46 3k13 s ASP 396 Cb -0.15 -2.49 0.02 0.00 -0.30 0.00 0.00 42.92 40.00 3k13 s ASP 396 CO -0.04 -0.19 -0.18 -0.69 -0.17 0.00 0.00 175.17 173.90 3k13 s VAL 397 N 0.93 1.79 0.21 1.11 1.01 -1.26 -3.88 120.40 120.32 3k13 s VAL 397 Ca 0.44 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3k13 s VAL 397 Cb -0.19 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 3k13 s VAL 397 CO 0.23 0.50 0.05 0.21 0.00 0.00 0.00 175.10 176.09 3k13 s ASN 398 N 1.09 1.15 0.00 3.32 3.84 -0.26 -0.96 114.94 123.13 3k13 s ASN 398 Ca -0.02 -1.28 0.00 0.00 0.21 0.00 0.00 52.86 51.76 3k13 s ASN 398 Cb -0.14 0.15 0.00 0.00 -0.55 0.00 0.00 41.25 40.71 3k13 s ASN 398 CO -0.06 -0.66 0.00 0.47 -2.79 0.00 0.00 177.10 174.07 3k13 n ASP 400 N -0.35 -0.21 -3.74 -4.21 8.00 -1.26 -0.83 116.55 113.95 3k13 n ASP 400 Ca -0.03 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.34 3k13 n ASP 400 Cb 0.65 -0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.55 3k13 n ASP 400 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3k13 s ASP 401 N 0.00 -0.32 0.58 -2.24 2.15 -1.26 -4.50 116.67 111.09 3k13 s ASP 401 Ca 0.00 0.47 0.28 0.00 0.43 0.00 0.00 52.55 53.73 3k13 s ASP 401 Cb 0.00 0.56 1.75 0.00 -0.30 0.00 0.00 42.92 44.93 3k13 s ASP 401 CO 0.00 -0.28 2.24 1.23 -0.17 0.00 0.00 175.17 178.19 3k13 h GLY 402 N 4.75 0.00 2.00 2.66 0.00 -2.05 -0.97 103.07 109.46 3k13 h GLY 402 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3k13 h GLY 402 CO 0.33 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 178.22 3k13 h LEU 403 N 0.00 0.00 -9.24 3.11 3.38 -2.03 -3.46 115.31 107.07 3k13 h LEU 403 Ca -0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 3k13 h LEU 403 Cb 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.60 3k13 h LEU 403 CO 0.00 0.06 -0.74 -0.76 0.09 0.00 0.00 178.44 177.10 3k13 s LEU 404 N -6.37 3.05 -0.94 1.67 1.43 -0.37 -5.05 118.68 112.10 3k13 s LEU 404 Ca 0.01 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 52.54 3k13 s LEU 404 Cb 0.09 -1.82 0.06 0.00 0.03 0.00 0.00 46.19 44.55 3k13 s LEU 404 CO 0.57 0.20 1.34 -0.62 0.23 0.00 0.00 176.35 178.08 3k13 s ASP 405 N -2.03 6.44 0.23 2.29 -1.08 -1.26 -4.68 116.67 116.58 3k13 s ASP 405 Ca 0.20 -1.34 -0.06 0.00 -0.52 0.00 0.00 52.55 50.83 3k13 s ASP 405 Cb -0.11 -2.53 0.34 0.00 -1.46 0.00 0.00 42.92 39.15 3k13 s ASP 405 CO 0.12 -1.49 1.80 0.00 0.52 0.00 0.00 175.17 176.12 3k13 h ALA 406 N 9.68 1.03 -0.40 3.66 0.00 -1.97 -1.13 119.26 130.12 3k13 h ALA 406 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3k13 h ALA 406 Cb 1.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3k13 h ALA 406 CO 1.34 0.03 0.18 -0.09 0.00 0.00 0.00 179.25 180.71 3k13 h ARG 407 N 0.69 0.59 -0.25 0.00 2.43 -1.92 -3.06 114.38 112.86 3k13 h ARG 407 Ca 0.36 -0.09 -0.17 0.00 -0.81 0.00 0.00 59.98 59.26 3k13 h ARG 407 Cb 0.33 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3k13 h ARG 407 CO -0.24 0.53 -0.54 1.15 -1.51 0.00 0.00 179.97 179.36 3k13 h THR 408 N 0.51 1.29 0.00 0.20 2.02 -1.82 -1.63 112.91 113.49 3k13 h THR 408 Ca 0.14 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.57 3k13 h THR 408 Cb 0.14 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3k13 h THR 408 CO -0.02 0.56 0.00 -0.62 0.37 0.00 0.00 175.52 175.81 3k13 n GLU 409 N -3.99 0.25 0.00 6.66 -0.58 -0.49 -1.34 120.64 121.14 3k13 n GLU 409 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 3k13 n GLU 409 Cb 0.61 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 3k13 n GLU 409 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3k13 n THR 411 N 0.74 0.00 -0.02 2.62 -2.24 -0.61 -1.12 114.28 113.65 3k13 n THR 411 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 3k13 n THR 411 Cb 0.11 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 3k13 n THR 411 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3k13 h THR 412 N 0.00 1.07 -0.29 4.28 2.02 -1.47 -0.90 112.91 117.62 3k13 h THR 412 Ca 0.00 -0.19 -0.17 0.00 0.77 0.00 0.00 66.41 66.82 3k13 h THR 412 Cb 0.00 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3k13 h THR 412 CO 0.00 0.07 -0.48 0.15 0.37 0.00 0.00 175.52 175.63 3k13 h PHE 413 N 0.12 0.97 -0.46 3.16 3.57 -1.38 -1.06 116.94 121.88 3k13 h PHE 413 Ca 0.04 -0.32 -0.09 0.00 3.53 0.00 0.00 57.97 61.13 3k13 h PHE 413 Cb 0.04 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3k13 h PHE 413 CO -0.05 1.11 -0.07 -0.07 -2.23 0.00 0.00 178.31 177.01 3k13 h LEU 414 N 0.63 0.85 -0.68 0.59 4.07 -1.79 0.02 115.31 119.00 3k13 h LEU 414 Ca 0.03 -0.34 0.01 0.00 0.08 0.00 0.00 57.88 57.66 3k13 h LEU 414 Cb 1.06 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.53 3k13 h LEU 414 CO 0.10 0.99 0.45 0.78 -1.08 0.00 0.00 178.44 179.68 3k13 h ASN 415 N 0.69 0.77 -0.65 -0.43 2.35 -0.99 -2.61 115.58 114.71 3k13 h ASN 415 Ca 0.12 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 3k13 h ASN 415 Cb 0.59 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 3k13 h ASN 415 CO 0.04 0.56 0.10 -0.07 -1.65 0.00 0.00 177.43 176.41 3k13 h LEU 416 N 0.91 1.04 -2.37 1.61 3.38 -0.97 -2.78 115.31 116.13 3k13 h LEU 416 Ca 0.25 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k13 h LEU 416 Cb -0.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.37 3k13 h LEU 416 CO -0.06 1.04 0.00 -0.38 0.09 0.00 0.00 178.44 179.13 3k13 n ILE 417 N -4.24 0.00 0.00 1.22 5.41 -0.03 -3.16 119.36 118.56 3k13 n ILE 417 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 3k13 n ILE 417 Cb 0.29 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 38.85 3k13 n ILE 417 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3k13 n SER 419 N 0.90 0.00 -4.08 4.38 3.41 -1.05 -3.55 113.62 113.63 3k13 n SER 419 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 3k13 n SER 419 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 3k13 n SER 419 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3k13 s GLU 420 N 0.00 1.83 0.38 4.33 2.56 -1.19 -5.00 118.70 121.61 3k13 s GLU 420 Ca 0.00 -1.75 0.13 0.00 0.00 0.00 0.00 54.97 53.35 3k13 s GLU 420 Cb 0.00 -3.31 0.95 0.00 2.00 0.00 0.00 34.13 33.77 3k13 s GLU 420 CO 0.00 -0.92 1.84 -1.35 -0.56 0.00 0.00 175.26 174.27 3k13 h PRO 421 N 7.82 0.53 0.00 4.30 0.11 -1.95 0.68 132.00 143.49 3k13 h PRO 421 Ca -0.10 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.98 3k13 h PRO 421 Cb 1.04 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3k13 h PRO 421 CO 0.58 0.35 0.00 -0.85 -0.21 0.00 0.00 178.00 177.87 3k13 n GLU 422 N -4.58 0.05 -0.07 1.05 0.28 -1.26 -2.90 120.64 113.22 3k13 n GLU 422 Ca 0.20 0.11 -0.09 0.00 -0.16 0.00 0.00 57.16 57.22 3k13 n GLU 422 Cb 0.62 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.92 3k13 n GLU 422 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3k13 n ILE 423 N -1.46 0.87 0.28 3.84 5.41 0.03 -4.60 119.36 123.73 3k13 n ILE 423 Ca 0.06 -0.39 0.14 0.00 1.00 0.00 0.00 62.75 63.57 3k13 n ILE 423 Cb 0.24 -0.95 0.66 0.00 -0.71 0.00 0.00 39.64 38.88 3k13 n ILE 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k13 h ALA 424 N 0.16 1.00 0.00 -1.39 0.00 -0.96 -2.67 119.26 115.39 3k13 h ALA 424 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3k13 h ALA 424 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3k13 h ALA 424 CO -0.03 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.76 3k13 n ARG 425 N -2.48 0.06 -4.37 0.00 1.74 -1.14 -4.72 116.66 105.74 3k13 n ARG 425 Ca -0.00 0.25 -0.27 0.00 -0.77 0.00 0.00 57.85 57.06 3k13 n ARG 425 Cb 0.14 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.95 3k13 n ARG 425 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3k13 s VAL 426 N -2.86 2.09 0.64 1.55 -7.23 -1.01 -5.11 120.40 108.48 3k13 s VAL 426 Ca 0.08 -1.69 -0.17 0.00 -1.81 0.00 0.00 61.98 58.39 3k13 s VAL 426 Cb 0.08 -1.86 -0.01 0.00 0.56 0.00 0.00 36.38 35.15 3k13 s VAL 426 CO 0.21 0.05 1.20 -2.84 -0.31 0.00 0.00 175.10 173.41 3k13 s PRO 427 N -2.00 2.68 0.00 4.82 0.02 -1.26 -4.82 135.00 134.45 3k13 s PRO 427 Ca 0.12 1.77 0.00 0.00 0.02 0.00 0.00 61.00 62.90 3k13 s PRO 427 Cb -0.10 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3k13 s PRO 427 CO 0.05 -1.42 0.00 0.28 -0.33 0.00 0.00 177.00 175.59 3k13 n VAL 428 N -2.04 0.00 -3.19 3.83 0.31 -1.26 -1.66 118.33 114.32 3k13 n VAL 428 Ca 0.13 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.48 3k13 n VAL 428 Cb 0.50 -0.47 -0.02 0.00 -0.91 0.00 0.00 33.84 32.94 3k13 n VAL 428 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3k13 s ILE 430 N 2.41 -0.93 -0.40 2.52 1.01 0.48 -1.28 121.20 125.01 3k13 s ILE 430 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 3k13 s ILE 430 Cb 0.00 -0.97 0.10 0.00 0.01 0.00 0.00 42.46 41.60 3k13 s ILE 430 CO 0.00 -0.03 0.20 -0.62 0.00 0.00 0.00 174.94 174.50 3k13 s ASP 431 N 2.80 5.32 -0.02 3.58 -1.08 -0.13 -0.50 116.67 126.63 3k13 s ASP 431 Ca 0.18 -1.86 -0.14 0.00 -0.52 0.00 0.00 52.55 50.21 3k13 s ASP 431 Cb -0.14 -1.86 0.02 0.00 -1.46 0.00 0.00 42.92 39.48 3k13 s ASP 431 CO -0.21 -0.53 0.29 -0.55 0.52 0.00 0.00 175.17 174.70 3k13 s SER 432 N 1.89 -0.17 0.10 -0.34 0.15 -0.85 -4.09 113.70 110.39 3k13 s SER 432 Ca 0.06 0.08 0.27 0.00 0.70 0.00 0.00 55.95 57.05 3k13 s SER 432 Cb -0.23 0.31 0.91 0.00 -1.71 0.00 0.00 66.02 65.31 3k13 s SER 432 CO -0.03 -0.43 1.77 -1.54 1.20 0.00 0.00 173.24 174.21 3k13 n SER 433 N 1.35 0.47 -4.67 5.45 3.41 -1.26 -4.10 113.62 114.26 3k13 n SER 433 Ca -0.21 0.45 -0.37 0.00 -0.26 0.00 0.00 58.87 58.48 3k13 n SER 433 Cb 0.56 -0.52 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 3k13 n SER 433 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3k13 s LYS 434 N -3.06 4.09 0.24 4.33 -0.14 -1.26 -4.99 119.74 118.95 3k13 s LYS 434 Ca 0.12 -0.21 -0.06 0.00 -1.36 0.00 0.00 55.97 54.45 3k13 s LYS 434 Cb 0.15 -3.53 0.28 0.00 -1.68 0.00 0.00 37.83 33.06 3k13 s LYS 434 CO 0.59 0.07 1.89 2.35 -0.76 0.00 0.00 175.35 179.49 3k13 h TRP 435 N 7.42 1.10 -0.53 3.18 2.91 -1.97 -2.22 115.95 125.85 3k13 h TRP 435 Ca -0.38 0.03 0.05 0.00 1.13 0.00 0.00 58.89 59.72 3k13 h TRP 435 Cb 1.17 -0.37 -0.03 0.00 -0.51 0.00 0.00 29.16 29.42 3k13 h TRP 435 CO 0.66 0.64 0.35 1.05 -1.03 0.00 0.00 178.44 180.11 3k13 h GLU 436 N 1.14 0.50 -0.00 2.65 4.11 -1.99 0.94 114.58 121.93 3k13 h GLU 436 Ca 0.36 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.76 3k13 h GLU 436 Cb -0.00 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3k13 h GLU 436 CO -0.12 0.33 -0.00 0.28 0.07 0.00 0.00 179.01 179.57 3k13 h VAL 437 N 0.51 1.36 -0.53 -1.06 2.07 -1.82 -1.19 116.25 115.60 3k13 h VAL 437 Ca 0.23 -1.07 0.09 0.00 0.82 0.00 0.00 66.70 66.76 3k13 h VAL 437 Cb 0.24 2.08 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 3k13 h VAL 437 CO -0.06 0.28 0.14 0.40 0.02 0.00 0.00 177.57 178.35 3k13 h ILE 438 N -0.44 0.74 -0.16 4.57 2.04 -1.02 -1.06 117.51 122.17 3k13 h ILE 438 Ca 0.00 -0.10 -0.14 0.00 1.00 0.00 0.00 64.86 65.63 3k13 h ILE 438 Cb 0.46 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3k13 h ILE 438 CO 0.00 0.05 -0.48 -0.08 0.00 0.00 0.00 178.15 177.64 3k13 h GLU 439 N 0.29 0.43 -0.75 2.37 4.81 -0.79 0.04 114.58 120.97 3k13 h GLU 439 Ca 0.26 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3k13 h GLU 439 Cb 0.34 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 3k13 h GLU 439 CO -0.32 0.82 0.47 0.00 -0.73 0.00 0.00 179.01 179.25 3k13 h ALA 440 N 1.14 0.95 -0.37 2.92 0.00 -0.85 -1.33 119.26 121.73 3k13 h ALA 440 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3k13 h ALA 440 Cb 0.97 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3k13 h ALA 440 CO 0.08 0.40 0.23 0.78 0.00 0.00 0.00 179.25 180.75 3k13 h GLY 441 N 1.02 0.53 0.98 0.00 0.00 -0.46 -1.99 103.07 103.15 3k13 h GLY 441 Ca 0.27 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.40 3k13 h GLY 441 CO -0.05 0.20 0.37 1.41 0.00 0.00 0.00 176.54 178.47 3k13 h LEU 442 N 0.49 0.63 -1.26 3.11 3.38 -0.76 -0.58 115.31 120.32 3k13 h LEU 442 Ca 0.13 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3k13 h LEU 442 Cb -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3k13 h LEU 442 CO -0.03 0.46 -0.15 0.50 0.09 0.00 0.00 178.44 179.31 3k13 h LYS 443 N 0.75 0.32 0.05 1.13 3.64 -1.06 -3.10 116.57 118.30 3k13 h LYS 443 Ca 0.21 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 3k13 h LYS 443 Cb -0.07 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3k13 h LYS 443 CO -0.05 0.48 -0.46 0.00 -2.27 0.00 0.00 179.45 177.14 3k13 s LEU 445 N -8.20 4.34 -0.21 0.00 1.43 -0.26 -4.97 118.68 110.81 3k13 s LEU 445 Ca -0.15 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 3k13 s LEU 445 Cb 0.01 -3.85 -0.19 0.00 0.03 0.00 0.00 46.19 42.19 3k13 s LEU 445 CO 0.78 -0.47 0.04 0.00 0.23 0.00 0.00 176.35 176.92 3k13 n GLN 446 N 0.53 0.64 -2.33 1.70 6.02 -1.26 -4.94 117.38 117.74 3k13 n GLN 446 Ca 0.02 0.34 -0.25 0.00 -0.01 0.00 0.00 57.00 57.10 3k13 n GLN 446 Cb 0.45 -1.64 0.07 0.00 1.02 0.00 0.00 30.24 30.15 3k13 n GLN 446 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3k13 s GLY 447 N -5.52 1.74 0.25 1.08 0.00 -1.26 -5.03 107.32 98.58 3k13 s GLY 447 Ca -0.31 -1.13 -0.31 0.00 0.00 0.00 0.00 44.72 42.97 3k13 s GLY 447 CO 0.62 -0.71 1.46 1.17 0.00 0.00 0.00 173.10 175.63 3k13 n LYS 448 N -2.83 2.20 -4.51 2.90 4.81 -1.26 -4.99 118.16 114.49 3k13 n LYS 448 Ca 0.09 0.78 -0.24 0.00 -0.87 0.00 0.00 58.31 58.07 3k13 n LYS 448 Cb 0.60 -2.47 -0.09 0.00 0.02 0.00 0.00 35.03 33.08 3k13 n LYS 448 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3k13 s SER 449 N 0.36 2.74 -0.08 3.14 1.04 -1.26 -4.45 113.70 115.20 3k13 s SER 449 Ca 0.67 -1.50 0.01 0.00 0.48 0.00 0.00 55.95 55.62 3k13 s SER 449 Cb -0.61 0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.68 3k13 s SER 449 CO 0.49 -0.73 -0.11 -0.63 0.98 0.00 0.00 173.24 173.24 3k13 s ILE 450 N -3.20 1.10 0.05 -1.02 1.01 -0.40 -2.45 121.20 116.28 3k13 s ILE 450 Ca 0.29 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 3k13 s ILE 450 Cb 0.06 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.44 3k13 s ILE 450 CO 0.14 0.36 1.10 -0.69 0.00 0.00 0.00 174.94 175.85 3k13 s VAL 451 N 1.00 4.34 -0.47 2.92 1.01 0.02 -0.39 120.40 128.82 3k13 s VAL 451 Ca -0.08 1.71 0.03 0.00 0.00 0.00 0.00 61.98 63.64 3k13 s VAL 451 Cb -0.15 -4.10 0.14 0.00 0.00 0.00 0.00 36.38 32.28 3k13 s VAL 451 CO -0.00 0.15 0.29 0.21 0.00 0.00 0.00 175.10 175.74 3k13 s ASN 452 N 0.90 3.57 0.38 3.32 2.47 0.34 -0.33 114.94 125.59 3k13 s ASN 452 Ca 0.55 -2.85 -0.16 0.00 0.42 0.00 0.00 52.86 50.82 3k13 s ASN 452 Cb -0.26 -1.06 0.05 0.00 -1.45 0.00 0.00 41.25 38.53 3k13 s ASN 452 CO 0.29 -0.23 0.78 -0.94 -3.72 0.00 0.00 177.10 173.28 3k13 s SER 453 N 0.06 0.01 0.33 -4.21 1.04 -1.26 -2.02 113.70 107.65 3k13 s SER 453 Ca 0.20 -1.12 0.10 0.00 0.48 0.00 0.00 55.95 55.61 3k13 s SER 453 Cb -0.18 0.84 -0.06 0.00 0.10 0.00 0.00 66.02 66.72 3k13 s SER 453 CO -0.04 -1.66 -0.07 0.27 0.98 0.00 0.00 173.24 172.71 3k13 s ILE 454 N -2.43 2.49 0.35 -1.02 -4.36 -0.58 -4.99 121.20 110.65 3k13 s ILE 454 Ca 0.16 -2.15 -0.17 0.00 -0.26 0.00 0.00 60.65 58.23 3k13 s ILE 454 Cb -0.05 -2.65 0.05 0.00 1.25 0.00 0.00 42.46 41.06 3k13 s ILE 454 CO 0.11 -0.25 0.81 -0.94 0.24 0.00 0.00 174.94 174.91 3k13 s SER 455 N -3.63 -0.04 0.00 4.36 1.04 -1.26 -4.13 113.70 110.04 3k13 s SER 455 Ca 0.33 -1.01 0.18 0.00 0.48 0.00 0.00 55.95 55.93 3k13 s SER 455 Cb -0.00 0.79 0.57 0.00 0.10 0.00 0.00 66.02 67.48 3k13 s SER 455 CO 0.17 -1.56 1.44 0.18 0.98 0.00 0.00 173.24 174.46 3k13 n LEU 456 N -0.54 2.15 -0.34 2.42 4.77 -0.51 -4.48 117.00 120.48 3k13 n LEU 456 Ca -0.07 -0.97 0.19 0.00 -0.03 0.00 0.00 56.01 55.12 3k13 n LEU 456 Cb 0.60 -0.19 0.41 0.00 -2.33 0.00 0.00 43.42 41.91 3k13 n LEU 456 CO 0.24 0.49 1.18 0.50 -1.33 0.00 0.00 177.39 178.47 3k13 h LYS 457 N 2.66 0.53 -0.53 3.23 3.64 -1.70 0.12 116.57 124.52 3k13 h LYS 457 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3k13 h LYS 457 Cb 0.59 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3k13 h LYS 457 CO 0.00 0.35 0.00 0.39 -2.27 0.00 0.00 179.45 177.92 3k13 n GLU 458 N -4.80 3.58 0.00 1.90 1.02 -1.26 -4.53 120.64 116.55 3k13 n GLU 458 Ca 0.26 -2.79 0.00 0.00 -0.02 0.00 0.00 57.16 54.61 3k13 n GLU 458 Cb 0.77 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3k13 n GLU 458 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k13 n GLY 459 N 0.72 0.75 0.25 0.62 0.00 0.43 -4.53 105.19 103.42 3k13 n GLY 459 Ca 0.23 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 3k13 n GLY 459 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k13 h GLU 460 N 0.00 0.88 -0.49 1.61 4.81 -1.94 -2.56 114.58 116.90 3k13 h GLU 460 Ca 0.00 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3k13 h GLU 460 Cb 0.00 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3k13 h GLU 460 CO 0.00 1.17 0.25 1.49 -0.73 0.00 0.00 179.01 181.20 3k13 h GLU 461 N 0.67 0.69 -0.44 1.92 4.81 -1.98 -0.21 114.58 120.03 3k13 h GLU 461 Ca 0.03 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3k13 h GLU 461 Cb 1.10 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 3k13 h GLU 461 CO 0.11 0.55 0.13 0.28 -0.73 0.00 0.00 179.01 179.35 3k13 h VAL 462 N 0.64 1.22 -0.35 0.32 2.07 -1.78 -1.21 116.25 117.16 3k13 h VAL 462 Ca 0.17 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.99 3k13 h VAL 462 Cb 0.07 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3k13 h VAL 462 CO -0.03 0.27 0.08 0.15 0.02 0.00 0.00 177.57 178.06 3k13 h PHE 463 N 0.57 0.13 -0.49 1.57 3.57 -1.15 -1.25 116.94 119.90 3k13 h PHE 463 Ca 0.14 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 3k13 h PHE 463 Cb 0.28 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3k13 h PHE 463 CO 0.01 0.03 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.05 3k13 h LEU 464 N 0.20 0.86 -0.24 0.59 3.38 -0.85 -0.74 115.31 118.51 3k13 h LEU 464 Ca 0.16 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3k13 h LEU 464 Cb 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3k13 h LEU 464 CO -0.21 0.96 0.07 -0.08 0.09 0.00 0.00 178.44 179.27 3k13 h GLU 465 N 0.74 0.17 -0.37 1.13 4.81 -0.97 -0.77 114.58 119.32 3k13 h GLU 465 Ca 0.14 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 3k13 h GLU 465 Cb 0.52 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3k13 h GLU 465 CO 0.03 0.11 0.14 0.45 -0.73 0.00 0.00 179.01 179.01 3k13 h HIS 466 N 0.17 0.57 -0.81 0.92 3.86 -1.07 -2.23 115.15 116.57 3k13 h HIS 466 Ca 0.10 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 3k13 h HIS 466 Cb 0.08 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.34 3k13 h HIS 466 CO -0.13 0.52 0.53 0.00 0.86 0.00 0.00 177.93 179.71 3k13 h ALA 467 N 0.98 1.51 -0.60 2.45 0.00 -0.91 -0.31 119.26 122.37 3k13 h ALA 467 Ca 0.12 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3k13 h ALA 467 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3k13 h ALA 467 CO -0.01 0.41 -0.01 0.00 0.00 0.00 0.00 179.25 179.65 3k13 h ARG 468 N 1.00 1.07 -0.50 0.00 3.08 -0.85 0.36 114.38 118.54 3k13 h ARG 468 Ca 0.32 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3k13 h ARG 468 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3k13 h ARG 468 CO -0.09 1.05 0.09 0.82 -1.07 0.00 0.00 179.97 180.76 3k13 h ILE 469 N 0.97 1.25 -0.34 2.04 2.04 -0.78 -1.91 117.51 120.77 3k13 h ILE 469 Ca 0.17 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3k13 h ILE 469 Cb 0.57 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3k13 h ILE 469 CO 0.03 0.33 0.18 0.40 0.00 0.00 0.00 178.15 179.09 3k13 h ILE 470 N 0.70 1.15 -0.77 -0.67 2.04 -0.83 -1.98 117.51 117.14 3k13 h ILE 470 Ca 0.15 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3k13 h ILE 470 Cb 0.38 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3k13 h ILE 470 CO 0.01 0.15 0.49 0.50 0.00 0.00 0.00 178.15 179.30 3k13 h LYS 471 N 0.42 1.02 -0.41 2.37 3.64 -0.82 -2.27 116.57 120.52 3k13 h LYS 471 Ca 0.12 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3k13 h LYS 471 Cb 0.08 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3k13 h LYS 471 CO -0.02 0.69 -0.04 1.96 -2.27 0.00 0.00 179.45 179.77 3k13 h GLN 472 N 1.05 0.69 0.00 1.90 4.20 -0.71 -0.92 115.11 121.32 3k13 h GLN 472 Ca 0.28 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3k13 h GLN 472 Cb -0.09 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3k13 h GLN 472 CO -0.06 0.74 0.00 0.66 -0.67 0.00 0.00 178.83 179.50 3k13 n TYR 473 N -4.21 0.00 -1.12 2.96 4.01 -0.80 -4.92 117.16 113.08 3k13 n TYR 473 Ca 0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.72 3k13 n TYR 473 Cb 0.31 -0.43 -0.02 0.00 -0.31 0.00 0.00 39.34 38.89 3k13 n TYR 473 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k13 n GLY 474 N 0.64 0.70 3.86 2.72 0.00 -0.35 -4.94 105.19 107.82 3k13 n GLY 474 Ca 0.07 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3k13 n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k13 s ALA 475 N -2.08 3.41 0.69 4.61 0.00 -0.97 -4.80 121.76 122.63 3k13 s ALA 475 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.74 3k13 s ALA 475 Cb 0.00 -2.63 0.03 0.00 0.00 0.00 0.00 23.12 20.52 3k13 s ALA 475 CO 0.00 0.32 1.05 0.00 0.00 0.00 0.00 175.76 177.13 3k13 s ALA 476 N -2.01 3.00 -0.06 0.00 0.00 -1.03 -4.58 121.76 117.09 3k13 s ALA 476 Ca 0.51 -0.56 -0.08 0.00 0.00 0.00 0.00 51.96 51.83 3k13 s ALA 476 Cb -0.11 -2.84 0.02 0.00 0.00 0.00 0.00 23.12 20.19 3k13 s ALA 476 CO 0.22 -1.16 0.20 -0.08 0.00 0.00 0.00 175.76 174.94 3k13 s THR 477 N -3.28 0.02 0.20 0.00 -1.32 -0.37 -0.80 115.64 110.10 3k13 s THR 477 Ca 0.58 -0.18 -0.30 0.00 -1.21 0.00 0.00 61.69 60.57 3k13 s THR 477 Cb -0.11 -0.34 -0.08 0.00 -1.51 0.00 0.00 72.50 70.46 3k13 s THR 477 CO 0.49 -0.10 0.95 -0.69 -2.21 0.00 0.00 174.62 173.05 3k13 s VAL 478 N -0.31 4.19 0.00 5.08 1.01 0.56 -0.40 120.40 130.53 3k13 s VAL 478 Ca -0.04 2.08 0.00 0.00 0.00 0.00 0.00 61.98 64.02 3k13 s VAL 478 Cb -0.03 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3k13 s VAL 478 CO 0.01 0.44 0.00 0.52 0.00 0.00 0.00 175.10 176.07 3k13 n VAL 479 N 1.88 0.00 -3.74 2.92 0.31 0.26 -1.53 118.33 118.43 3k13 n VAL 479 Ca -0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.05 3k13 n VAL 479 Cb 0.48 -0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.29 3k13 n VAL 479 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k13 n ALA 481 N -3.00 3.42 -3.68 3.52 0.00 -0.37 -0.91 120.51 119.48 3k13 n ALA 481 Ca 0.00 -4.35 -0.12 0.00 0.00 0.00 0.00 53.44 48.97 3k13 n ALA 481 Cb 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 18.36 3k13 n ALA 481 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3k13 s PHE 482 N -1.42 -0.46 0.00 0.00 2.19 -1.26 -1.10 117.98 115.94 3k13 s PHE 482 Ca 0.29 1.01 0.00 0.00 0.33 0.00 0.00 56.93 58.56 3k13 s PHE 482 Cb 0.00 0.05 0.00 0.00 -1.31 0.00 0.00 43.02 41.76 3k13 s PHE 482 CO -0.15 -0.34 0.00 -0.40 1.83 0.00 0.00 175.22 176.16 3k13 n ASP 483 N 4.97 1.38 0.14 6.13 5.68 -0.67 -1.42 116.55 132.76 3k13 n ASP 483 Ca -0.13 -0.83 0.10 0.00 -0.50 0.00 0.00 54.79 53.44 3k13 n ASP 483 Cb 0.51 0.00 0.51 0.00 -1.14 0.00 0.00 41.12 41.00 3k13 n ASP 483 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3k13 n GLU 484 N 0.00 0.14 0.00 0.11 4.71 -1.18 -1.42 120.64 123.00 3k13 n GLU 484 Ca 0.00 0.57 0.11 0.00 -0.01 0.00 0.00 57.16 57.83 3k13 n GLU 484 Cb 0.00 -1.89 0.01 0.00 -1.01 0.00 0.00 31.44 28.55 3k13 n GLU 484 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3k13 n LYS 485 N -2.17 0.33 0.00 3.49 5.02 -1.26 -5.05 118.16 118.52 3k13 n LYS 485 Ca -0.00 -0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 3k13 n LYS 485 Cb 0.08 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3k13 n LYS 485 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k13 n GLY 486 N 1.47 0.63 3.73 0.72 0.00 -0.51 -5.05 105.19 106.17 3k13 n GLY 486 Ca 0.06 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 3k13 n GLY 486 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k13 s GLN 487 N -0.79 4.46 -0.34 1.61 0.74 -1.26 -1.67 119.66 122.41 3k13 s GLN 487 Ca 0.00 1.84 -0.29 0.00 0.05 0.00 0.00 55.36 56.96 3k13 s GLN 487 Cb 0.00 -3.29 0.00 0.00 1.10 0.00 0.00 33.01 30.82 3k13 s GLN 487 CO 0.00 -0.18 1.40 0.00 -0.55 0.00 0.00 175.29 175.96 3k13 s ALA 488 N 0.51 3.20 -0.22 1.58 0.00 -0.26 -4.86 121.76 121.71 3k13 s ALA 488 Ca 0.56 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.58 3k13 s ALA 488 Cb -0.31 -3.87 -0.14 0.00 0.00 0.00 0.00 23.12 18.80 3k13 s ALA 488 CO 0.33 -2.10 -0.19 -0.40 0.00 0.00 0.00 175.76 173.40 3k13 n ASP 489 N 8.33 2.27 -4.92 0.00 5.75 -1.26 -4.69 116.55 122.04 3k13 n ASP 489 Ca 0.16 -0.12 -0.26 0.00 -0.01 0.00 0.00 54.79 54.56 3k13 n ASP 489 Cb 0.47 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 3k13 n ASP 489 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3k13 s THR 490 N -2.44 4.68 0.20 2.12 -4.23 -1.26 -4.85 115.64 109.86 3k13 s THR 490 Ca -0.29 -0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.09 3k13 s THR 490 Cb 0.08 -3.77 0.11 0.00 1.34 0.00 0.00 72.50 70.26 3k13 s THR 490 CO 0.51 -0.69 1.81 0.00 -0.54 0.00 0.00 174.62 175.70 3k13 h ALA 491 N 0.28 0.79 -0.65 3.99 0.00 -1.95 -0.86 119.26 120.86 3k13 h ALA 491 Ca -0.47 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.48 3k13 h ALA 491 Cb 1.22 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3k13 h ALA 491 CO 0.61 0.02 0.40 0.00 0.00 0.00 0.00 179.25 180.28 3k13 h ALA 492 N 1.31 0.85 -0.47 0.00 0.00 -1.94 -1.30 119.26 117.70 3k13 h ALA 492 Ca 0.26 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3k13 h ALA 492 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3k13 h ALA 492 CO -0.16 0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.35 3k13 h ARG 493 N 0.79 0.76 -0.50 0.00 2.47 -1.84 -0.86 114.38 115.21 3k13 h ARG 493 Ca 0.26 -0.19 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3k13 h ARG 493 Cb 0.02 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 3k13 h ARG 493 CO -0.11 0.76 0.30 0.87 0.56 0.00 0.00 179.97 182.36 3k13 h LYS 494 N 0.64 0.67 -0.47 0.04 1.57 -0.75 -1.66 116.57 116.61 3k13 h LYS 494 Ca 0.14 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3k13 h LYS 494 Cb 0.36 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3k13 h LYS 494 CO 0.01 0.49 0.02 0.82 -0.57 0.00 0.00 179.45 180.21 3k13 h ILE 495 N 0.67 1.26 -0.09 1.86 2.04 -1.18 -2.09 117.51 119.98 3k13 h ILE 495 Ca 0.18 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 65.04 3k13 h ILE 495 Cb -0.01 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3k13 h ILE 495 CO -0.03 0.36 -0.10 -0.08 0.00 0.00 0.00 178.15 178.29 3k13 h GLU 496 N 0.68 -0.13 -0.36 2.37 4.81 -0.87 -1.16 114.58 119.91 3k13 h GLU 496 Ca 0.14 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 3k13 h GLU 496 Cb 0.48 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3k13 h GLU 496 CO 0.02 -0.09 -0.15 0.28 -0.73 0.00 0.00 179.01 178.34 3k13 h VAL 497 N -0.14 1.28 -0.39 0.32 2.07 -1.24 -2.65 116.25 115.51 3k13 h VAL 497 Ca 0.07 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 3k13 h VAL 497 Cb 0.24 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3k13 h VAL 497 CO -0.17 0.42 0.01 0.00 0.02 0.00 0.00 177.57 177.85 3k13 h GLU 499 N 0.50 0.46 -0.39 0.00 4.22 -1.24 0.19 114.58 118.32 3k13 h GLU 499 Ca 0.11 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.46 3k13 h GLU 499 Cb 0.45 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3k13 h GLU 499 CO 0.02 0.31 0.00 -0.09 -2.18 0.00 0.00 179.01 177.06 3k13 h ARG 500 N 0.48 0.68 -0.69 1.92 2.43 -1.23 -1.96 114.38 116.02 3k13 h ARG 500 Ca 0.19 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3k13 h ARG 500 Cb 0.08 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3k13 h ARG 500 CO -0.13 0.78 0.34 0.00 -1.51 0.00 0.00 179.97 179.45 3k13 h ALA 501 N 0.88 0.88 -0.36 2.80 0.00 -0.70 -1.60 119.26 121.17 3k13 h ALA 501 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3k13 h ALA 501 Cb 0.47 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3k13 h ALA 501 CO 0.02 0.44 0.21 -0.92 0.00 0.00 0.00 179.25 179.00 3k13 h TYR 502 N 0.95 0.40 0.01 0.00 3.20 -0.48 -0.76 116.97 120.29 3k13 h TYR 502 Ca 0.24 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 3k13 h TYR 502 Cb 0.11 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.25 3k13 h TYR 502 CO 0.00 0.23 -0.01 -0.09 -1.64 0.00 0.00 178.16 176.66 3k13 h ARG 503 N 0.43 -0.02 -0.37 1.82 9.65 -1.11 0.32 114.38 125.10 3k13 h ARG 503 Ca 0.14 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 59.07 3k13 h ARG 503 Cb 0.00 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 3k13 h ARG 503 CO -0.07 0.00 0.12 -0.07 2.80 0.00 0.00 179.97 182.75 3k13 h LEU 504 N -0.04 0.11 0.04 3.80 3.38 -1.13 0.18 115.31 121.65 3k13 h LEU 504 Ca -0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k13 h LEU 504 Cb 0.03 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3k13 h LEU 504 CO 0.00 0.10 -0.02 -0.07 0.09 0.00 0.00 178.44 178.54 3k13 h LEU 505 N 0.26 -0.05 -0.13 1.67 3.38 -0.73 0.14 115.31 119.85 3k13 h LEU 505 Ca 0.17 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.73 3k13 h LEU 505 Cb 0.17 0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.93 3k13 h LEU 505 CO -0.19 0.24 -0.50 0.58 0.09 0.00 0.00 178.44 178.66 3k13 h VAL 506 N -0.34 1.35 0.15 1.22 2.07 -0.88 -0.76 116.25 119.07 3k13 h VAL 506 Ca -0.01 -1.78 -0.33 0.00 0.82 0.00 0.00 66.70 65.40 3k13 h VAL 506 Cb 0.31 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3k13 h VAL 506 CO 0.01 0.54 -1.64 0.44 0.02 0.00 0.00 177.57 176.95 3k13 h ASP 507 N 0.21 0.50 0.02 0.57 3.32 -0.69 -3.11 116.42 117.24 3k13 h ASP 507 Ca -0.02 -0.72 -0.37 0.00 0.02 0.00 0.00 57.03 55.93 3k13 h ASP 507 Cb 1.13 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.45 3k13 h ASP 507 CO 0.11 1.61 -2.40 0.29 -1.72 0.00 0.00 179.24 177.13 3k13 n LYS 508 N -3.52 0.68 0.01 3.56 5.02 0.01 -4.52 118.16 119.40 3k13 n LYS 508 Ca -0.20 0.06 0.11 0.00 -2.02 0.00 0.00 58.31 56.26 3k13 n LYS 508 Cb 1.06 -1.53 -0.12 0.00 -0.02 0.00 0.00 35.03 34.42 3k13 n LYS 508 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3k13 n VAL 509 N -2.95 0.09 -2.13 -0.18 0.31 -1.03 -4.97 118.33 107.47 3k13 n VAL 509 Ca -0.37 -0.39 -0.12 0.00 -0.01 0.00 0.00 64.34 63.45 3k13 n VAL 509 Cb 1.09 0.16 -0.01 0.00 -0.91 0.00 0.00 33.84 34.17 3k13 n VAL 509 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k13 n GLY 510 N 1.31 0.04 3.76 2.92 0.00 -0.78 -4.98 105.19 107.46 3k13 n GLY 510 Ca -0.01 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3k13 n GLY 510 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3k13 s PHE 511 N -2.60 3.33 -0.07 1.61 5.36 -0.36 -4.96 117.98 120.29 3k13 s PHE 511 Ca 0.00 1.52 -0.30 0.00 -0.96 0.00 0.00 56.93 57.20 3k13 s PHE 511 Cb 0.00 -3.48 -0.05 0.00 -0.34 0.00 0.00 43.02 39.15 3k13 s PHE 511 CO 0.00 -1.24 1.67 1.21 -1.46 0.00 0.00 175.22 175.41 3k13 s ASN 512 N -0.53 6.61 0.53 6.13 3.84 -1.26 -4.42 114.94 125.84 3k13 s ASN 512 Ca 0.48 2.19 0.18 0.00 0.21 0.00 0.00 52.86 55.93 3k13 s ASN 512 Cb -0.35 -2.53 1.34 0.00 -0.55 0.00 0.00 41.25 39.15 3k13 s ASN 512 CO 0.45 -0.98 2.15 1.55 -2.79 0.00 0.00 177.10 177.48 3k13 h PRO 513 N 9.78 0.00 0.00 0.43 0.13 -1.92 -0.25 132.00 140.17 3k13 h PRO 513 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3k13 h PRO 513 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3k13 h PRO 513 CO 0.96 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.45 3k13 n HIS 514 N -4.45 0.71 -0.02 1.56 8.25 -1.25 -2.00 115.22 118.02 3k13 n HIS 514 Ca -0.02 0.28 0.10 0.00 -0.26 0.00 0.00 57.72 57.82 3k13 n HIS 514 Cb 0.13 -0.95 0.28 0.00 1.12 0.00 0.00 29.99 30.58 3k13 n HIS 514 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3k13 n ASP 515 N -2.15 3.44 -4.64 0.41 8.00 -0.10 -4.80 116.55 116.70 3k13 n ASP 515 Ca 0.02 -2.00 -0.37 0.00 0.71 0.00 0.00 54.79 53.16 3k13 n ASP 515 Cb 0.23 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 40.81 3k13 n ASP 515 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k13 s ILE 516 N -1.16 5.31 -0.29 0.53 1.01 -0.85 -1.23 121.20 124.51 3k13 s ILE 516 Ca 0.43 0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.25 3k13 s ILE 516 Cb 0.22 -3.48 0.06 0.00 0.01 0.00 0.00 42.46 39.28 3k13 s ILE 516 CO 0.29 0.34 -0.04 -0.63 0.00 0.00 0.00 174.94 174.90 3k13 s ILE 517 N 1.14 2.52 0.15 2.92 1.01 0.46 -0.75 121.20 128.65 3k13 s ILE 517 Ca 0.07 -1.66 -0.29 0.00 0.00 0.00 0.00 60.65 58.77 3k13 s ILE 517 Cb -0.14 -2.53 -0.07 0.00 0.01 0.00 0.00 42.46 39.73 3k13 s ILE 517 CO 0.05 -0.16 0.91 -0.36 0.00 0.00 0.00 174.94 175.38 3k13 s PHE 518 N 1.13 3.87 -0.36 3.97 0.08 -0.21 -0.58 117.98 125.88 3k13 s PHE 518 Ca -0.04 1.79 0.01 0.00 0.12 0.00 0.00 56.93 58.81 3k13 s PHE 518 Cb -0.20 -2.98 0.10 0.00 -0.57 0.00 0.00 43.02 39.38 3k13 s PHE 518 CO -0.04 0.33 0.10 0.34 -0.10 0.00 0.00 175.22 175.84 3k13 s ASP 519 N -0.50 4.93 0.00 1.36 -1.08 -0.09 -0.95 116.67 120.34 3k13 s ASP 519 Ca 0.43 -2.07 0.17 0.00 -0.52 0.00 0.00 52.55 50.56 3k13 s ASP 519 Cb -0.24 -1.70 1.01 0.00 -1.46 0.00 0.00 42.92 40.54 3k13 s ASP 519 CO 0.29 -0.43 1.48 -2.65 0.52 0.00 0.00 175.17 174.39 3k13 n PRO 520 N 4.38 0.73 -0.69 4.34 -0.02 -1.26 -1.24 135.00 141.25 3k13 n PRO 520 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3k13 n PRO 520 Cb 0.42 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 3k13 n PRO 520 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3k13 n ASN 521 N -0.86 -1.10 -4.60 2.55 3.02 -1.26 -4.77 115.26 108.23 3k13 n ASN 521 Ca 0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 3k13 n ASN 521 Cb 0.06 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.62 3k13 n ASN 521 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k13 s VAL 522 N 0.00 4.81 0.08 2.41 1.01 -1.26 -4.80 120.40 122.64 3k13 s VAL 522 Ca 0.00 0.95 0.08 0.00 0.00 0.00 0.00 61.98 63.02 3k13 s VAL 522 Cb 0.00 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3k13 s VAL 522 CO 0.00 -0.31 -0.20 -0.76 0.00 0.00 0.00 175.10 173.83 3k13 s LEU 523 N 2.92 2.55 0.32 3.92 1.43 -1.26 -4.57 118.68 123.99 3k13 s LEU 523 Ca 0.30 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 3k13 s LEU 523 Cb -0.14 -1.46 -0.12 0.00 0.03 0.00 0.00 46.19 44.49 3k13 s LEU 523 CO 0.14 0.22 1.38 0.00 0.23 0.00 0.00 176.35 178.32 3k13 n ALA 524 N 1.24 1.56 -3.76 4.21 0.00 -1.19 -4.51 120.51 118.07 3k13 n ALA 524 Ca -0.16 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 3k13 n ALA 524 Cb 0.52 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.68 3k13 n ALA 524 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3k13 n VAL 525 N 0.91 0.00 -4.01 0.00 0.24 -1.12 -4.75 118.33 109.60 3k13 n VAL 525 Ca 0.06 -2.20 -0.29 0.00 -2.04 0.00 0.00 64.34 59.87 3k13 n VAL 525 Cb 0.36 -0.09 -0.01 0.00 -1.47 0.00 0.00 33.84 32.62 3k13 n VAL 525 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k13 n ALA 526 N -1.90 -1.72 1.24 2.33 0.00 -1.26 -4.52 120.51 114.68 3k13 n ALA 526 Ca -0.17 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.26 3k13 n ALA 526 Cb 0.64 -2.44 0.31 0.00 0.00 0.00 0.00 19.45 17.96 3k13 n ALA 526 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k13 n THR 527 N -4.43 0.00 -0.29 0.00 -2.24 -1.26 -4.80 114.28 101.27 3k13 n THR 527 Ca -0.16 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3k13 n THR 527 Cb 0.61 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 3k13 n THR 527 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k13 n GLY 528 N 1.30 1.56 3.31 3.38 0.00 -1.26 -5.03 105.19 108.46 3k13 n GLY 528 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3k13 n GLY 528 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k13 s ILE 529 N -2.98 3.81 0.52 -0.61 -1.09 -1.26 -4.99 121.20 114.61 3k13 s ILE 529 Ca 0.00 -0.84 0.18 0.00 -2.23 0.00 0.00 60.65 57.76 3k13 s ILE 529 Cb 0.00 -3.02 0.30 0.00 -1.58 0.00 0.00 42.46 38.16 3k13 s ILE 529 CO 0.00 0.02 2.11 -0.08 -1.23 0.00 0.00 174.94 175.77 3k13 h GLU 530 N 8.21 0.01 0.00 2.79 4.81 -2.01 -0.90 114.58 127.49 3k13 h GLU 530 Ca -0.29 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3k13 h GLU 530 Cb 1.11 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3k13 h GLU 530 CO 0.60 0.01 0.00 0.93 -0.73 0.00 0.00 179.01 179.82 3k13 h GLU 531 N 0.02 0.00 -0.00 1.92 3.07 -2.03 -2.01 114.58 115.54 3k13 h GLU 531 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3k13 h GLU 531 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 3k13 h GLU 531 CO -0.00 0.00 -0.47 0.72 -1.40 0.00 0.00 179.01 177.86 3k13 n HIS 532 N -2.48 0.00 0.27 4.33 8.25 -0.34 -4.54 115.22 120.71 3k13 n HIS 532 Ca -0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.55 3k13 n HIS 532 Cb 0.12 -0.18 0.71 0.00 1.12 0.00 0.00 29.99 31.76 3k13 n HIS 532 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 3k13 h ASN 533 N 0.48 0.00 -0.52 0.41 2.35 -1.49 -1.87 115.58 114.93 3k13 h ASN 533 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3k13 h ASN 533 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3k13 h ASN 533 CO 0.00 0.02 0.00 -3.20 -1.65 0.00 0.00 177.43 172.60 3k13 n ASN 534 N -4.31 3.21 -0.10 5.81 5.15 -1.26 -4.53 115.26 119.23 3k13 n ASN 534 Ca -0.03 -1.97 0.01 0.00 -0.60 0.00 0.00 54.58 51.99 3k13 n ASN 534 Cb 0.10 -0.35 0.32 0.00 -0.53 0.00 0.00 39.78 39.32 3k13 n ASN 534 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3k13 h TYR 535 N 3.72 0.72 -0.16 1.20 0.05 -1.65 0.12 116.97 120.97 3k13 h TYR 535 Ca 0.00 -0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 3k13 h TYR 535 Cb 0.84 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.35 3k13 h TYR 535 CO 0.35 0.49 -0.48 0.00 -1.05 0.00 0.00 178.16 177.47 3k13 h ALA 536 N 1.59 0.28 -0.95 3.88 0.00 -1.82 -2.57 119.26 119.67 3k13 h ALA 536 Ca 0.20 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3k13 h ALA 536 Cb -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3k13 h ALA 536 CO -0.03 0.44 0.61 0.28 0.00 0.00 0.00 179.25 180.55 3k13 h VAL 537 N 0.28 1.25 -0.81 0.00 2.07 -1.51 -1.02 116.25 116.51 3k13 h VAL 537 Ca -0.01 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3k13 h VAL 537 Cb 1.10 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3k13 h VAL 537 CO 0.10 0.25 0.46 0.44 0.02 0.00 0.00 177.57 178.84 3k13 h ASP 538 N 1.30 0.99 -0.23 0.57 3.32 -0.72 0.48 116.42 122.12 3k13 h ASP 538 Ca 0.35 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3k13 h ASP 538 Cb -0.12 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 3k13 h ASP 538 CO -0.07 0.79 0.12 0.15 -1.72 0.00 0.00 179.24 178.51 3k13 h PHE 539 N 1.12 0.31 -0.63 4.55 3.04 -1.03 -0.94 116.94 123.36 3k13 h PHE 539 Ca 0.29 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.15 3k13 h PHE 539 Cb 0.00 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 3k13 h PHE 539 CO -0.00 0.28 0.09 0.82 -2.02 0.00 0.00 178.31 177.48 3k13 h ILE 540 N 0.26 1.26 -0.39 1.41 2.04 -0.86 0.34 117.51 121.57 3k13 h ILE 540 Ca 0.08 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 3k13 h ILE 540 Cb 0.07 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3k13 h ILE 540 CO -0.01 0.38 0.03 -0.08 0.00 0.00 0.00 178.15 178.47 3k13 h GLU 541 N 0.96 0.67 -0.53 2.37 4.81 -0.84 -2.14 114.58 119.88 3k13 h GLU 541 Ca 0.19 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 3k13 h GLU 541 Cb 0.45 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3k13 h GLU 541 CO 0.01 0.75 0.12 0.00 -0.73 0.00 0.00 179.01 179.16 3k13 h ALA 542 N 0.90 1.21 -0.05 2.92 0.00 -0.88 -2.34 119.26 121.03 3k13 h ALA 542 Ca 0.12 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3k13 h ALA 542 Cb 0.42 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3k13 h ALA 542 CO 0.01 0.54 -0.08 1.15 0.00 0.00 0.00 179.25 180.88 3k13 h THR 543 N 0.79 0.78 -0.40 0.00 2.02 -0.71 -0.01 112.91 115.37 3k13 h THR 543 Ca 0.17 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.40 3k13 h THR 543 Cb 0.31 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 3k13 h THR 543 CO 0.00 0.00 0.12 1.23 0.37 0.00 0.00 175.52 177.24 3k13 h GLY 544 N -0.11 0.51 0.96 2.16 0.00 -1.18 -1.79 103.07 103.61 3k13 h GLY 544 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3k13 h GLY 544 CO -0.12 0.01 0.20 -0.25 0.00 0.00 0.00 176.54 176.38 3k13 h TRP 545 N 0.27 0.49 -0.17 5.60 7.01 -1.03 -2.15 115.95 125.99 3k13 h TRP 545 Ca 0.19 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.18 3k13 h TRP 545 Cb 0.19 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 3k13 h TRP 545 CO -0.16 0.39 0.10 0.82 -2.79 0.00 0.00 178.44 176.80 3k13 h ILE 546 N 0.46 1.06 0.00 2.65 2.04 -0.61 0.22 117.51 123.34 3k13 h ILE 546 Ca 0.13 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 3k13 h ILE 546 Cb 0.06 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3k13 h ILE 546 CO -0.02 0.06 -0.25 0.03 0.00 0.00 0.00 178.15 177.97 3k13 h ARG 547 N 0.21 0.00 0.00 2.37 2.47 -1.29 0.09 114.38 118.22 3k13 h ARG 547 Ca 0.06 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.63 3k13 h ARG 547 Cb 0.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 3k13 h ARG 547 CO -0.01 0.25 -0.93 0.87 0.56 0.00 0.00 179.97 180.71 3k13 h LYS 548 N 0.00 0.00 0.00 0.04 1.57 -0.97 -3.42 116.57 113.80 3k13 h LYS 548 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k13 h LYS 548 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3k13 h LYS 548 CO 0.03 0.50 -1.18 0.09 -0.57 0.00 0.00 179.45 178.32 3k13 n ASN 549 N -3.12 3.46 -4.03 0.86 3.02 0.03 -4.87 115.26 110.60 3k13 n ASN 549 Ca -0.03 -0.05 -0.34 0.00 -0.03 0.00 0.00 54.58 54.14 3k13 n ASN 549 Cb 0.81 1.24 -0.11 0.00 -0.61 0.00 0.00 39.78 41.11 3k13 n ASN 549 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3k13 s LEU 550 N -3.30 4.97 0.18 3.41 1.43 -0.03 -5.05 118.68 120.29 3k13 s LEU 550 Ca -0.02 -3.15 -0.33 0.00 -1.03 0.00 0.00 54.13 49.60 3k13 s LEU 550 Cb 0.04 -1.78 -0.13 0.00 0.03 0.00 0.00 46.19 44.35 3k13 s LEU 550 CO 0.23 -0.27 1.64 -2.65 0.23 0.00 0.00 176.35 175.53 3k13 n PRO 551 N 3.03 2.41 0.00 1.29 -0.02 -1.26 -2.56 135.00 137.89 3k13 n PRO 551 Ca 0.10 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3k13 n PRO 551 Cb 0.36 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3k13 n PRO 551 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k13 n GLY 552 N 3.61 3.15 3.78 -1.23 0.00 -1.26 -4.75 105.19 108.49 3k13 n GLY 552 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3k13 n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k13 s ALA 553 N -1.92 2.93 0.41 4.61 0.00 -1.06 -3.94 121.76 122.79 3k13 s ALA 553 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.70 3k13 s ALA 553 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 3k13 s ALA 553 CO 0.00 -0.40 0.60 -1.01 0.00 0.00 0.00 175.76 174.95 3k13 s HIS 554 N -1.78 3.19 -0.06 0.00 3.76 0.07 -4.85 115.29 115.62 3k13 s HIS 554 Ca 0.64 0.08 0.02 0.00 -0.15 0.00 0.00 55.06 55.66 3k13 s HIS 554 Cb -0.21 -2.19 0.02 0.00 1.11 0.00 0.00 32.58 31.30 3k13 s HIS 554 CO 0.26 -0.23 -0.10 0.08 -0.85 0.00 0.00 174.74 173.90 3k13 s VAL 555 N -2.42 0.97 0.33 -0.90 1.01 -1.26 -1.04 120.40 117.08 3k13 s VAL 555 Ca 0.47 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3k13 s VAL 555 Cb -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3k13 s VAL 555 CO 0.36 0.32 0.14 -0.55 0.00 0.00 0.00 175.10 175.36 3k13 s SER 556 N 0.71 1.89 -0.04 3.32 0.15 -0.13 -2.12 113.70 117.49 3k13 s SER 556 Ca -0.14 -1.55 -0.29 0.00 0.70 0.00 0.00 55.95 54.67 3k13 s SER 556 Cb -0.15 0.34 0.11 0.00 -1.71 0.00 0.00 66.02 64.60 3k13 s SER 556 CO 0.03 -0.85 0.93 -0.83 1.20 0.00 0.00 173.24 173.71 3k13 s GLY 557 N -3.43 -0.43 -1.02 9.45 0.00 -1.26 -4.05 107.32 106.57 3k13 s GLY 557 Ca 0.33 1.18 -0.18 0.00 0.00 0.00 0.00 44.72 46.06 3k13 s GLY 557 CO 0.16 0.44 1.26 -0.32 0.00 0.00 0.00 173.10 174.64 3k13 s GLY 558 N -2.29 1.98 0.24 0.20 0.00 -1.26 -0.68 107.32 105.50 3k13 s GLY 558 Ca 0.04 -2.88 -0.05 0.00 0.00 0.00 0.00 44.72 41.84 3k13 s GLY 558 CO -0.07 2.11 1.78 -2.08 0.00 0.00 0.00 173.10 174.84 3k13 h VAL 559 N 5.62 0.83 0.00 1.40 2.07 -1.79 -2.44 116.25 121.94 3k13 h VAL 559 Ca 0.21 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3k13 h VAL 559 Cb 0.98 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3k13 h VAL 559 CO 1.19 0.12 -0.01 0.28 0.02 0.00 0.00 177.57 179.16 3k13 h SER 560 N 0.64 0.00 0.18 0.57 0.02 -1.91 -1.35 113.55 111.69 3k13 h SER 560 Ca 0.38 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.31 3k13 h SER 560 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 3k13 h SER 560 CO -0.28 0.01 -0.10 0.78 -1.14 0.00 0.00 176.83 176.10 3k13 h ASN 561 N 0.00 0.00 -0.64 3.07 4.21 -1.74 -3.06 115.58 117.42 3k13 h ASN 561 Ca -0.00 0.00 0.06 0.00 1.21 0.00 0.00 56.30 57.57 3k13 h ASN 561 Cb 0.23 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.39 3k13 h ASN 561 CO 0.00 0.10 0.43 0.25 -1.29 0.00 0.00 177.43 176.91 3k13 h LEU 562 N 0.00 0.56 -3.08 1.61 5.85 -1.41 -3.11 115.31 115.73 3k13 h LEU 562 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3k13 h LEU 562 Cb 0.21 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3k13 h LEU 562 CO 0.01 0.36 0.00 -1.54 -0.34 0.00 0.00 178.44 176.93 3k13 n SER 563 N -4.48 4.02 0.16 1.25 3.41 -1.15 -2.80 113.62 114.03 3k13 n SER 563 Ca 0.09 -2.43 0.14 0.00 -0.26 0.00 0.00 58.87 56.41 3k13 n SER 563 Cb 0.24 -0.47 0.69 0.00 -0.26 0.00 0.00 64.21 64.41 3k13 n SER 563 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3k13 h PHE 564 N 3.00 0.00 0.00 7.33 3.57 -1.67 0.97 116.94 130.15 3k13 h PHE 564 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3k13 h PHE 564 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 3k13 h PHE 564 CO 0.54 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 177.05 3k13 n SER 565 N -4.37 0.00 -0.89 0.41 7.64 -1.26 -2.86 113.62 112.29 3k13 n SER 565 Ca 0.02 0.48 0.01 0.00 1.01 0.00 0.00 58.87 60.40 3k13 n SER 565 Cb 0.31 -0.49 0.20 0.00 -1.01 0.00 0.00 64.21 63.23 3k13 n SER 565 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3k13 n PHE 566 N -1.49 0.72 -1.60 1.43 3.72 0.34 -5.03 117.46 115.54 3k13 n PHE 566 Ca 0.04 -1.42 -0.49 0.00 -0.05 0.00 0.00 57.45 55.54 3k13 n PHE 566 Cb 0.18 -0.38 -0.04 0.00 -0.94 0.00 0.00 39.48 38.30 3k13 n PHE 566 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3k13 n ARG 567 N -1.07 1.38 -0.38 -1.08 1.74 -1.13 -0.78 116.66 115.34 3k13 n ARG 567 Ca 0.27 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 3k13 n ARG 567 Cb 0.90 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3k13 n ARG 567 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k13 n GLY 568 N 2.26 1.03 2.84 -0.13 0.00 -1.26 -4.97 105.19 104.96 3k13 n GLY 568 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 3k13 n GLY 568 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k13 s ASN 569 N -3.03 4.36 0.38 1.61 -0.87 0.04 -4.98 114.94 112.44 3k13 s ASN 569 Ca 0.00 -3.67 0.15 0.00 -1.57 0.00 0.00 52.86 47.77 3k13 s ASN 569 Cb 0.00 -1.48 0.76 0.00 -0.02 0.00 0.00 41.25 40.51 3k13 s ASN 569 CO 0.00 -0.11 1.82 0.78 -2.57 0.00 0.00 177.10 177.02 3k13 h ASN 570 N 5.54 0.00 -0.29 -1.22 2.35 -1.94 -1.61 115.58 118.42 3k13 h ASN 570 Ca 0.14 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3k13 h ASN 570 Cb 0.79 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 3k13 h ASN 570 CO 0.67 0.37 0.10 0.22 -1.65 0.00 0.00 177.43 177.13 3k13 h TYR 571 N 0.00 0.45 -0.68 1.19 3.20 -1.95 -1.66 116.97 117.53 3k13 h TYR 571 Ca -0.00 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3k13 h TYR 571 Cb 0.70 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 3k13 h TYR 571 CO 0.00 0.47 0.22 0.82 -1.64 0.00 0.00 178.16 178.03 3k13 h ILE 572 N 0.30 1.25 -0.12 1.81 1.08 -1.80 0.16 117.51 120.20 3k13 h ILE 572 Ca 0.09 -0.86 -0.00 0.00 -0.39 0.00 0.00 64.86 63.70 3k13 h ILE 572 Cb 0.22 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 3k13 h ILE 572 CO -0.00 0.33 0.07 0.03 -0.69 0.00 0.00 178.15 177.89 3k13 h ARG 573 N 0.98 0.17 -0.36 2.37 3.08 -1.20 -2.93 114.38 116.49 3k13 h ARG 573 Ca 0.22 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 3k13 h ARG 573 Cb 0.29 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3k13 h ARG 573 CO -0.01 0.15 -0.14 0.93 -1.07 0.00 0.00 179.97 179.84 3k13 h GLU 574 N 0.13 0.65 -1.14 0.04 5.08 -0.82 -0.11 114.58 118.41 3k13 h GLU 574 Ca 0.04 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3k13 h GLU 574 Cb 0.03 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3k13 h GLU 574 CO -0.01 0.77 0.00 0.00 -1.00 0.00 0.00 179.01 178.77 3k13 n ALA 575 N -2.48 1.61 0.00 3.43 0.00 0.53 -1.17 120.51 122.42 3k13 n ALA 575 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3k13 n ALA 575 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3k13 n ALA 575 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k13 n HIS 577 N 0.67 0.00 -0.20 0.00 -0.00 -0.06 -1.31 115.22 114.32 3k13 n HIS 577 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.64 3k13 n HIS 577 Cb 0.10 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.11 3k13 n HIS 577 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k13 h ALA 578 N 0.00 0.76 -0.38 -1.41 0.00 -1.41 -0.24 119.26 116.58 3k13 h ALA 578 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3k13 h ALA 578 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3k13 h ALA 578 CO 0.00 0.49 0.06 0.28 0.00 0.00 0.00 179.25 180.08 3k13 h VAL 579 N 0.84 1.24 -0.06 0.00 2.07 -1.46 -0.68 116.25 118.20 3k13 h VAL 579 Ca 0.18 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3k13 h VAL 579 Cb 0.38 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3k13 h VAL 579 CO 0.01 0.29 0.03 0.15 0.02 0.00 0.00 177.57 178.06 3k13 h PHE 580 N 0.48 0.08 -0.86 1.57 3.57 -1.77 -2.32 116.94 117.68 3k13 h PHE 580 Ca 0.12 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3k13 h PHE 580 Cb 0.36 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3k13 h PHE 580 CO 0.02 0.17 0.50 -0.07 -2.23 0.00 0.00 178.31 176.71 3k13 h LEU 581 N -0.04 1.06 -0.70 0.59 3.38 -1.03 0.22 115.31 118.79 3k13 h LEU 581 Ca 0.02 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3k13 h LEU 581 Cb 0.12 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3k13 h LEU 581 CO -0.00 0.83 0.38 0.22 0.09 0.00 0.00 178.44 179.96 3k13 h TYR 582 N 1.20 0.70 0.16 1.13 3.20 -0.77 0.22 116.97 122.81 3k13 h TYR 582 Ca 0.31 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.90 3k13 h TYR 582 Cb -0.01 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.06 3k13 h TYR 582 CO 0.00 0.31 -1.41 0.45 -1.64 0.00 0.00 178.16 175.87 3k13 h HIS 583 N 0.68 0.63 -0.45 -3.82 3.86 -1.01 -3.19 115.15 111.86 3k13 h HIS 583 Ca 0.33 -0.46 -0.13 0.00 -1.16 0.00 0.00 60.37 58.95 3k13 h HIS 583 Cb 0.25 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3k13 h HIS 583 CO -0.08 1.41 -0.22 0.00 0.86 0.00 0.00 177.93 179.90 3k13 h ALA 584 N 0.41 0.64 -0.59 2.45 0.00 -0.41 -2.99 119.26 118.77 3k13 h ALA 584 Ca -0.21 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 3k13 h ALA 584 Cb 2.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 3k13 h ALA 584 CO 0.21 0.62 0.16 0.82 0.00 0.00 0.00 179.25 181.07 3k13 h ILE 585 N 0.79 1.23 0.00 0.00 2.04 -1.06 -1.51 117.51 119.00 3k13 h ILE 585 Ca 0.10 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 3k13 h ILE 585 Cb 0.79 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3k13 h ILE 585 CO 0.07 0.31 -0.09 1.56 0.00 0.00 0.00 178.15 179.99 3k13 h GLN 586 N 0.86 0.00 -0.01 2.37 4.20 -1.50 -0.59 115.11 120.44 3k13 h GLN 586 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3k13 h GLN 586 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3k13 h GLN 586 CO -0.01 0.09 -0.20 1.04 -0.67 0.00 0.00 178.83 179.08 3k13 n GLN 587 N -3.56 0.98 0.00 1.46 1.13 -0.60 -5.09 117.38 111.70 3k13 n GLN 587 Ca -0.02 -0.57 0.00 0.00 -1.94 0.00 0.00 57.00 54.48 3k13 n GLN 587 Cb 0.22 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.08 3k13 n GLN 587 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k13 n GLY 588 N 1.31 2.05 0.48 1.08 0.00 -0.23 -3.67 105.19 106.21 3k13 n GLY 588 Ca 0.13 -1.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.15 3k13 n GLY 588 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k13 n ASP 590 N 0.00 -0.03 0.00 1.61 5.75 -0.90 -4.66 116.55 118.33 3k13 n ASP 590 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 3k13 n ASP 590 Cb 0.00 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 3k13 n ASP 590 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k13 n GLY 592 N 0.00 1.93 3.61 6.12 0.00 -0.84 -1.24 105.19 114.77 3k13 n GLY 592 Ca -0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3k13 n GLY 592 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k13 s ILE 593 N -1.41 4.76 0.08 -0.61 1.01 0.14 -0.35 121.20 124.81 3k13 s ILE 593 Ca 0.00 1.21 -0.01 0.00 0.00 0.00 0.00 60.65 61.85 3k13 s ILE 593 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3k13 s ILE 593 CO 0.00 -0.29 0.00 0.68 0.00 0.00 0.00 174.94 175.33 3k13 s VAL 594 N 3.05 0.18 -0.60 2.92 -7.23 0.35 -2.05 120.40 117.02 3k13 s VAL 594 Ca 0.34 -1.82 -0.26 0.00 -1.81 0.00 0.00 61.98 58.43 3k13 s VAL 594 Cb -0.14 -1.68 0.04 0.00 0.56 0.00 0.00 36.38 35.16 3k13 s VAL 594 CO 0.13 -0.82 1.06 0.21 -0.31 0.00 0.00 175.10 175.37 3k13 s ASN 595 N -2.96 6.33 0.00 4.85 3.84 -1.26 -0.86 114.94 124.88 3k13 s ASN 595 Ca 0.12 -0.30 0.20 0.00 0.21 0.00 0.00 52.86 53.09 3k13 s ASN 595 Cb 0.08 -2.48 0.87 0.00 -0.55 0.00 0.00 41.25 39.16 3k13 s ASN 595 CO -0.06 -1.40 1.63 -0.81 -2.79 0.00 0.00 177.10 173.66 3k13 n PRO 596 N 8.02 0.05 -2.23 0.43 -0.04 -1.26 -4.97 135.00 134.99 3k13 n PRO 596 Ca 0.03 0.15 -0.35 0.00 -0.04 0.00 0.00 63.50 63.30 3k13 n PRO 596 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 3k13 n PRO 596 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3k13 s GLY 597 N -2.93 0.53 0.00 0.55 0.00 -1.26 -4.84 107.32 99.37 3k13 s GLY 597 Ca 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.36 3k13 s GLY 597 CO 0.35 3.17 0.00 -1.14 0.00 0.00 0.00 173.10 175.48 3k13 n SER 599 N 11.88 0.00 -4.73 1.64 3.41 -1.26 -5.19 113.62 119.37 3k13 n SER 599 Ca 0.29 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.53 3k13 n SER 599 Cb 0.49 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 3k13 n SER 599 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k13 s VAL 600 N -1.90 5.24 -0.04 -3.33 1.01 -1.26 -5.08 120.40 115.03 3k13 s VAL 600 Ca 0.00 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 3k13 s VAL 600 Cb 0.00 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3k13 s VAL 600 CO 0.00 0.37 0.29 -0.76 0.00 0.00 0.00 175.10 175.00 3k13 s LEU 601 N 0.47 4.43 0.21 3.92 1.43 -1.26 -4.75 118.68 123.13 3k13 s LEU 601 Ca 0.21 0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 53.91 3k13 s LEU 601 Cb -0.14 -2.42 0.25 0.00 0.03 0.00 0.00 46.19 43.91 3k13 s LEU 601 CO 0.07 0.34 1.63 0.22 0.23 0.00 0.00 176.35 178.85 3k13 h TYR 602 N 4.69 -0.28 -0.08 0.29 3.20 -1.95 -0.74 116.97 122.11 3k13 h TYR 602 Ca -0.53 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.42 3k13 h TYR 602 Cb 1.22 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.71 3k13 h TYR 602 CO 0.72 -0.26 0.11 0.77 -1.64 0.00 0.00 178.16 177.87 3k13 h SER 603 N 0.02 0.00 0.37 -2.11 0.02 -1.98 -2.90 113.55 106.97 3k13 h SER 603 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3k13 h SER 603 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3k13 h SER 603 CO -0.63 0.00 -0.57 0.47 -1.14 0.00 0.00 176.83 174.95 3k13 n ASP 604 N -3.63 0.67 -4.66 3.07 8.00 -0.29 -4.89 116.55 114.82 3k13 n ASP 604 Ca -0.01 -0.47 -0.43 0.00 0.71 0.00 0.00 54.79 54.59 3k13 n ASP 604 Cb 0.20 0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 3k13 n ASP 604 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k13 s ILE 605 N -2.94 3.94 0.48 0.53 1.01 -1.10 -4.96 121.20 118.16 3k13 s ILE 605 Ca 0.12 1.17 -0.22 0.00 0.00 0.00 0.00 60.65 61.71 3k13 s ILE 605 Cb 0.17 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.80 3k13 s ILE 605 CO 0.71 -0.09 0.99 -2.65 0.00 0.00 0.00 174.94 173.91 3k13 n PRO 606 N 6.65 1.23 -0.20 2.79 -0.02 -1.26 -4.63 135.00 139.56 3k13 n PRO 606 Ca 0.15 0.45 -0.01 0.00 -2.02 0.00 0.00 63.50 62.07 3k13 n PRO 606 Cb 0.44 -2.09 0.10 0.00 -0.02 0.00 0.00 33.50 31.93 3k13 n PRO 606 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k13 h ALA 607 N 1.22 0.76 -0.07 3.55 0.00 -1.98 0.20 119.26 122.95 3k13 h ALA 607 Ca -0.46 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 3k13 h ALA 607 Cb 1.34 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3k13 h ALA 607 CO 0.55 -0.17 -0.56 -0.44 0.00 0.00 0.00 179.25 178.63 3k13 h ASP 608 N 0.43 0.25 -0.46 0.00 3.32 -2.00 -1.06 116.42 116.90 3k13 h ASP 608 Ca 0.29 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 3k13 h ASP 608 Cb 0.33 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3k13 h ASP 608 CO -0.28 0.76 -0.10 0.74 -1.72 0.00 0.00 179.24 178.63 3k13 h THR 609 N 0.17 1.27 -0.62 0.35 2.02 -1.61 -2.70 112.91 111.79 3k13 h THR 609 Ca -0.00 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 3k13 h THR 609 Cb 1.04 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 3k13 h THR 609 CO 0.09 0.42 0.37 0.25 0.37 0.00 0.00 175.52 177.02 3k13 h LEU 610 N 0.72 0.75 -0.75 2.58 5.85 -0.39 -1.25 115.31 122.82 3k13 h LEU 610 Ca 0.12 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3k13 h LEU 610 Cb 0.65 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 3k13 h LEU 610 CO 0.04 0.59 0.46 -0.08 -0.34 0.00 0.00 178.44 179.12 3k13 h GLU 611 N 0.84 0.86 -0.39 1.25 4.81 -1.08 0.22 114.58 121.10 3k13 h GLU 611 Ca 0.22 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 3k13 h GLU 611 Cb -0.02 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 3k13 h GLU 611 CO -0.04 0.57 -0.15 0.87 -0.73 0.00 0.00 179.01 179.53 3k13 h LYS 612 N 0.89 0.71 -0.01 1.92 1.57 -1.08 0.15 116.57 120.72 3k13 h LYS 612 Ca 0.31 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3k13 h LYS 612 Cb 0.06 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3k13 h LYS 612 CO -0.13 0.82 -0.03 0.82 -0.57 0.00 0.00 179.45 180.37 3k13 h ILE 613 N 0.64 1.46 -0.61 1.86 1.08 -0.55 -2.94 117.51 118.46 3k13 h ILE 613 Ca 0.10 -1.40 -0.00 0.00 -0.39 0.00 0.00 64.86 63.17 3k13 h ILE 613 Cb 0.61 2.38 -0.03 0.00 -3.07 0.00 0.00 36.82 36.71 3k13 h ILE 613 CO 0.04 0.37 0.37 -0.33 -0.69 0.00 0.00 178.15 177.91 3k13 h GLU 614 N -0.53 0.81 -0.86 2.37 5.08 -0.59 0.32 114.58 121.18 3k13 h GLU 614 Ca -0.00 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3k13 h GLU 614 Cb 0.62 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 3k13 h GLU 614 CO 0.01 0.56 0.56 -0.44 -1.00 0.00 0.00 179.01 178.70 3k13 h ASP 615 N 0.83 0.84 0.02 1.42 3.32 -0.66 0.73 116.42 122.91 3k13 h ASP 615 Ca 0.22 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 3k13 h ASP 615 Cb -0.05 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.33 3k13 h ASP 615 CO -0.04 0.53 -0.01 0.58 -1.72 0.00 0.00 179.24 178.58 3k13 h VAL 616 N 0.95 1.46 -0.59 -1.35 2.07 -1.17 -0.71 116.25 116.90 3k13 h VAL 616 Ca 0.38 -1.91 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 3k13 h VAL 616 Cb 0.24 2.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 3k13 h VAL 616 CO -0.14 0.46 0.27 0.58 0.02 0.00 0.00 177.57 178.76 3k13 h VAL 617 N -0.91 1.22 -0.49 2.57 2.07 -0.79 -2.14 116.25 117.77 3k13 h VAL 617 Ca -0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3k13 h VAL 617 Cb 0.77 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3k13 h VAL 617 CO 0.00 0.25 0.00 0.18 0.02 0.00 0.00 177.57 178.02 3k13 n LEU 618 N -4.51 2.98 -3.69 2.57 4.77 0.23 -3.83 117.00 115.52 3k13 n LEU 618 Ca 0.04 -1.43 -0.24 0.00 -0.03 0.00 0.00 56.01 54.34 3k13 n LEU 618 Cb 0.13 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3k13 n LEU 618 CO 0.38 0.71 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.87 3k13 n ASN 619 N 1.14 -2.72 0.02 -1.43 5.15 -0.69 -4.90 115.26 111.83 3k13 n ASN 619 Ca 0.19 -0.90 0.11 0.00 -0.60 0.00 0.00 54.58 53.39 3k13 n ASN 619 Cb 0.49 -3.81 0.06 0.00 -0.53 0.00 0.00 39.78 35.99 3k13 n ASN 619 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3k13 n ARG 620 N -4.17 0.22 -3.62 1.20 1.74 -0.36 -4.88 116.66 106.78 3k13 n ARG 620 Ca -0.22 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.70 3k13 n ARG 620 Cb 0.65 -1.58 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 3k13 n ARG 620 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3k13 s ARG 621 N -3.14 0.89 0.52 5.56 1.70 -1.26 -5.06 118.95 118.15 3k13 s ARG 621 Ca 0.05 0.07 0.31 0.00 -0.47 0.00 0.00 55.73 55.69 3k13 s ARG 621 Cb 0.15 0.41 1.08 0.00 -0.57 0.00 0.00 34.95 36.02 3k13 s ARG 621 CO 0.78 -0.26 1.88 -1.00 -1.08 0.00 0.00 175.30 175.62 3k13 h PRO 622 N 3.39 0.00 -0.61 3.89 0.13 -1.95 -2.45 132.00 134.40 3k13 h PRO 622 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3k13 h PRO 622 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3k13 h PRO 622 CO 0.39 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 177.77 3k13 n ASP 623 N -3.10 3.48 -0.10 1.44 5.75 -1.26 -4.55 116.55 118.21 3k13 n ASP 623 Ca 0.01 -2.30 -0.06 0.00 -0.01 0.00 0.00 54.79 52.43 3k13 n ASP 623 Cb 0.37 -0.48 0.01 0.00 -1.03 0.00 0.00 41.12 39.99 3k13 n ASP 623 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k13 h ALA 624 N 3.70 0.38 -0.43 2.12 0.00 -1.77 -1.99 119.26 121.27 3k13 h ALA 624 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k13 h ALA 624 Cb 1.08 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3k13 h ALA 624 CO 0.16 -0.32 0.28 0.00 0.00 0.00 0.00 179.25 179.38 3k13 h ALA 625 N 1.24 0.54 -0.62 0.00 0.00 -1.84 -1.54 119.26 117.05 3k13 h ALA 625 Ca 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3k13 h ALA 625 Cb 0.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3k13 h ALA 625 CO -0.19 -0.01 0.41 1.49 0.00 0.00 0.00 179.25 180.95 3k13 h GLU 626 N 0.58 0.81 -0.21 0.00 4.81 -1.81 0.82 114.58 119.57 3k13 h GLU 626 Ca 0.16 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 3k13 h GLU 626 Cb -0.06 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 3k13 h GLU 626 CO -0.04 0.53 -0.27 0.00 -0.73 0.00 0.00 179.01 178.51 3k13 h ARG 627 N 0.83 0.41 0.07 1.92 3.08 -1.03 -1.65 114.38 118.01 3k13 h ARG 627 Ca 0.23 -0.16 -0.26 0.00 0.07 0.00 0.00 59.98 59.86 3k13 h ARG 627 Cb -0.09 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 29.95 3k13 h ARG 627 CO -0.05 0.65 -1.11 1.25 -1.07 0.00 0.00 179.97 179.64 3k13 h LEU 628 N 0.36 0.60 -1.08 3.04 5.85 -0.72 -2.58 115.31 120.78 3k13 h LEU 628 Ca 0.05 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 3k13 h LEU 628 Cb 0.67 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3k13 h LEU 628 CO 0.05 1.37 0.36 0.40 -0.34 0.00 0.00 178.44 180.28 3k13 h ILE 629 N 0.20 1.22 -0.63 4.05 2.04 -0.76 -0.23 117.51 123.41 3k13 h ILE 629 Ca -0.12 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 3k13 h ILE 629 Cb 1.78 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 3k13 h ILE 629 CO 0.20 0.26 0.29 -0.08 0.00 0.00 0.00 178.15 178.82 3k13 h GLU 630 N 1.01 0.91 -0.38 2.37 4.81 -1.17 -1.12 114.58 121.01 3k13 h GLU 630 Ca 0.25 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3k13 h GLU 630 Cb 0.07 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3k13 h GLU 630 CO -0.04 0.74 0.16 1.25 -0.73 0.00 0.00 179.01 180.39 3k13 h LEU 631 N 0.86 0.51 -0.73 1.64 5.85 -1.05 -2.05 115.31 120.33 3k13 h LEU 631 Ca 0.21 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3k13 h LEU 631 Cb 0.13 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3k13 h LEU 631 CO -0.03 0.52 0.48 0.00 -0.34 0.00 0.00 178.44 179.07 3k13 h ALA 632 N 1.01 0.93 -0.76 1.25 0.00 -0.77 -1.28 119.26 119.64 3k13 h ALA 632 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3k13 h ALA 632 Cb 0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3k13 h ALA 632 CO -0.01 0.34 0.33 0.93 0.00 0.00 0.00 179.25 180.83 3k13 h GLU 633 N 0.98 1.13 -0.38 0.00 4.39 -1.10 -2.70 114.58 116.90 3k13 h GLU 633 Ca 0.27 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 3k13 h GLU 633 Cb -0.10 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.34 3k13 h GLU 633 CO -0.06 0.91 -0.09 0.00 -1.16 0.00 0.00 179.01 178.61 3k13 h ALA 634 N 1.17 1.14 0.00 3.43 0.00 -0.62 -2.90 119.26 121.47 3k13 h ALA 634 Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3k13 h ALA 634 Cb 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k13 h ALA 634 CO -0.03 0.55 -0.11 -0.07 0.00 0.00 0.00 179.25 179.60 3k13 h LEU 635 N 0.61 0.00 -1.00 0.00 3.38 -1.02 -3.51 115.31 113.76 3k13 h LEU 635 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3k13 h LEU 635 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3k13 h LEU 635 CO 0.03 0.11 0.00 2.29 0.09 0.00 0.00 178.44 180.95