#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 1.31 -3.18 6.31 2.10 -2.03 -3.31 117.51 118.70 3k13 h ILE 351 Ca 0.00 -2.38 -0.78 0.00 1.08 0.00 0.00 64.86 62.77 3k13 h ILE 351 Cb 0.00 2.50 -0.30 0.00 -1.09 0.00 0.00 36.82 37.94 3k13 h ILE 351 CO 0.00 0.73 0.49 0.59 -1.08 0.00 0.00 178.15 178.87 3k13 n ASN 352 N -3.80 5.69 -3.72 2.19 3.02 -1.26 -4.92 115.26 112.46 3k13 n ASN 352 Ca -0.11 -3.23 -0.13 0.00 -0.03 0.00 0.00 54.58 51.08 3k13 n ASN 352 Cb 0.91 -1.26 -0.13 0.00 -0.61 0.00 0.00 39.78 38.69 3k13 n ASN 352 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3k13 s PHE 353 N -2.02 -0.33 -0.38 3.10 5.36 -1.25 -4.72 117.98 117.74 3k13 s PHE 353 Ca 0.31 0.80 -0.14 0.00 -0.96 0.00 0.00 56.93 56.94 3k13 s PHE 353 Cb -0.02 0.02 0.01 0.00 -0.34 0.00 0.00 43.02 42.68 3k13 s PHE 353 CO -0.00 -0.25 0.28 0.08 -1.46 0.00 0.00 175.22 173.87 3k13 s VAL 354 N 1.49 5.27 -0.16 3.12 1.01 -0.10 -5.04 120.40 125.99 3k13 s VAL 354 Ca -0.07 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 3k13 s VAL 354 Cb -0.11 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 3k13 s VAL 354 CO -0.08 -0.19 1.01 0.20 0.00 0.00 0.00 175.10 176.04 3k13 s ASN 355 N 1.70 7.17 -0.30 3.32 0.01 -1.26 -1.93 114.94 123.64 3k13 s ASN 355 Ca 0.06 1.45 -0.11 0.00 -0.71 0.00 0.00 52.86 53.55 3k13 s ASN 355 Cb -0.18 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 38.90 3k13 s ASN 355 CO 0.10 -0.54 0.19 -0.63 -1.51 0.00 0.00 177.10 174.71 3k13 s ILE 356 N 2.52 5.04 0.20 0.60 1.01 0.16 -0.79 121.20 129.95 3k13 s ILE 356 Ca 0.46 -0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.69 3k13 s ILE 356 Cb -0.17 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 3k13 s ILE 356 CO 0.13 0.14 1.50 -0.83 0.00 0.00 0.00 174.94 175.87 3k13 s GLY 357 N 1.70 1.95 0.02 6.18 0.00 -0.06 -0.76 107.32 116.34 3k13 s GLY 357 Ca 0.06 1.34 0.22 0.00 0.00 0.00 0.00 44.72 46.34 3k13 s GLY 357 CO 0.09 2.45 0.88 -1.84 0.00 0.00 0.00 173.10 174.68 3k13 n GLU 358 N 3.19 0.27 0.23 2.90 0.28 -0.22 -1.53 120.64 125.76 3k13 n GLU 358 Ca 0.10 -0.04 0.14 0.00 -0.16 0.00 0.00 57.16 57.20 3k13 n GLU 358 Cb 0.39 -1.55 0.38 0.00 1.43 0.00 0.00 31.44 32.10 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 -3.06 3.44 3.08 -1.83 -3.33 114.38 112.68 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 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 3k13 h ARG 359 CO 0.00 0.00 3.30 0.00 -1.07 0.00 0.00 179.97 182.20 3k13 s ASN 361 N 1.76 1.64 0.47 0.00 3.84 -1.25 -0.93 114.94 120.47 3k13 s ASN 361 Ca 0.61 -0.27 0.25 0.00 0.21 0.00 0.00 52.86 53.66 3k13 s ASN 361 Cb 0.17 0.09 1.16 0.00 -0.55 0.00 0.00 41.25 42.12 3k13 s ASN 361 CO -0.07 -0.32 1.94 -0.37 -2.79 0.00 0.00 177.10 175.49 3k13 h VAL 362 N 6.37 0.60 0.00 -5.21 -1.51 -1.46 0.13 116.25 115.17 3k13 h VAL 362 Ca -0.15 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 64.44 3k13 h VAL 362 Cb 1.14 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 3k13 h VAL 362 CO 0.26 0.19 -0.68 0.00 -1.23 0.00 0.00 177.57 176.10 3k13 h ALA 363 N 1.81 0.57 -0.00 5.19 0.00 -1.81 -3.38 119.26 121.65 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 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3k13 h ALA 363 CO 0.02 0.00 -0.45 0.41 0.00 0.00 0.00 179.25 179.24 3k13 n GLY 364 N 1.30 -0.06 2.67 0.00 0.00 -0.73 -4.93 105.19 103.44 3k13 n GLY 364 Ca 0.03 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.90 1.18 0.26 1.61 0.15 0.38 -4.98 113.70 110.40 3k13 s SER 365 Ca 0.06 0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.80 3k13 s SER 365 Cb 0.09 -0.14 0.35 0.00 -1.71 0.00 0.00 66.02 64.61 3k13 s SER 365 CO 0.41 -0.25 1.66 0.03 1.20 0.00 0.00 173.24 176.28 3k13 h ARG 366 N 8.44 0.37 0.01 5.44 3.08 -1.86 -1.81 114.38 128.05 3k13 h ARG 366 Ca -0.12 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 3k13 h ARG 366 Cb 1.12 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3k13 h ARG 366 CO 0.15 0.72 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.55 3k13 h LYS 367 N 0.31 -0.01 -0.79 0.04 3.64 -1.95 -2.25 116.57 115.56 3k13 h LYS 367 Ca 0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3k13 h LYS 367 Cb 0.85 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 3k13 h LYS 367 CO 0.07 0.17 0.49 0.35 -2.27 0.00 0.00 179.45 178.26 3k13 h PHE 368 N -0.19 1.03 -0.45 1.91 3.57 -1.79 -0.09 116.94 120.93 3k13 h PHE 368 Ca -0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3k13 h PHE 368 Cb 0.19 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 38.54 3k13 h PHE 368 CO -0.01 0.68 0.18 1.25 -2.23 0.00 0.00 178.31 178.18 3k13 h LEU 369 N 1.08 0.22 -0.49 0.59 5.85 -1.27 -1.66 115.31 119.63 3k13 h LEU 369 Ca 0.28 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 3k13 h LEU 369 Cb -0.06 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3k13 h LEU 369 CO -0.06 0.16 0.23 -0.09 -0.34 0.00 0.00 178.44 178.34 3k13 h ARG 370 N 0.37 0.71 -0.55 1.25 2.43 -0.66 -1.19 114.38 116.73 3k13 h ARG 370 Ca 0.21 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3k13 h ARG 370 Cb 0.18 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3k13 h ARG 370 CO -0.19 0.61 0.25 -0.07 -1.51 0.00 0.00 179.97 179.06 3k13 h LEU 371 N 0.65 0.74 -0.04 3.80 3.38 -0.58 -0.25 115.31 123.01 3k13 h LEU 371 Ca 0.17 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3k13 h LEU 371 Cb 0.14 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3k13 h LEU 371 CO -0.02 0.68 0.01 0.58 0.09 0.00 0.00 178.44 179.78 3k13 h VAL 372 N 0.75 1.17 -0.88 1.22 2.07 -1.21 -0.29 116.25 119.08 3k13 h VAL 372 Ca 0.19 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.29 3k13 h VAL 372 Cb 0.15 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 3k13 h VAL 372 CO -0.02 0.14 0.57 0.78 0.02 0.00 0.00 177.57 179.05 3k13 h ASN 373 N -0.14 0.82 -0.09 0.57 4.21 -0.99 -0.21 115.58 119.74 3k13 h ASN 373 Ca 0.01 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.54 3k13 h ASN 373 Cb 0.21 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 3k13 h ASN 373 CO -0.00 0.50 0.00 -0.62 -1.29 0.00 0.00 177.43 176.02 3k13 n GLU 374 N -4.51 1.55 -2.89 0.81 1.02 -0.13 -4.93 120.64 111.57 3k13 n GLU 374 Ca 0.14 -0.81 -0.22 0.00 -0.02 0.00 0.00 57.16 56.24 3k13 n GLU 374 Cb 0.26 -1.40 0.03 0.00 -0.02 0.00 0.00 31.44 30.30 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 0.02 -4.26 -2.41 3.49 5.02 -0.09 -4.90 118.16 115.03 3k13 n LYS 375 Ca 0.17 0.94 -0.41 0.00 -2.02 0.00 0.00 58.31 56.99 3k13 n LYS 375 Cb 0.28 -5.77 0.01 0.00 -0.02 0.00 0.00 35.03 29.52 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 -3.83 4.48 0.20 1.97 5.02 -0.23 -4.79 118.16 120.98 3k13 n LYS 376 Ca -0.14 -3.94 0.03 0.00 -2.02 0.00 0.00 58.31 52.24 3k13 n LYS 376 Cb 0.64 -2.66 0.40 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 4.99 0.00 -0.32 2.13 0.05 -1.91 -1.24 116.97 120.69 3k13 h TYR 377 Ca 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.26 3k13 h TYR 377 Cb 0.46 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 3k13 h TYR 377 CO 1.34 0.31 0.16 0.38 -1.05 0.00 0.00 178.16 179.31 3k13 h ASP 378 N 0.00 0.41 -0.52 3.88 2.03 -1.97 0.15 116.42 120.39 3k13 h ASP 378 Ca -0.00 -0.11 -0.07 0.00 -0.73 0.00 0.00 57.03 56.11 3k13 h ASP 378 Cb 0.56 -0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 38.93 3k13 h ASP 378 CO 0.04 0.40 0.07 -0.33 -1.03 0.00 0.00 179.24 178.39 3k13 h GLU 379 N 0.38 0.93 -0.47 4.15 5.08 -1.85 -1.68 114.58 121.11 3k13 h GLU 379 Ca 0.11 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 3k13 h GLU 379 Cb 0.10 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3k13 h GLU 379 CO -0.02 0.87 -0.09 0.00 -1.00 0.00 0.00 179.01 178.78 3k13 h ALA 380 N 1.20 0.95 -0.45 3.43 0.00 -0.98 -2.68 119.26 120.73 3k13 h ALA 380 Ca 0.17 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3k13 h ALA 380 Cb 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3k13 h ALA 380 CO 0.01 0.62 0.05 1.25 0.00 0.00 0.00 179.25 181.18 3k13 h LEU 381 N 0.77 0.67 -1.79 0.00 5.85 -0.39 -2.47 115.31 117.94 3k13 h LEU 381 Ca 0.13 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.80 3k13 h LEU 381 Cb 0.59 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3k13 h LEU 381 CO 0.04 0.70 0.30 0.28 -0.34 0.00 0.00 178.44 179.42 3k13 h SER 382 N 0.68 0.22 -0.42 1.25 0.02 -0.97 0.28 113.55 114.61 3k13 h SER 382 Ca 0.14 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3k13 h SER 382 Cb 0.35 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3k13 h SER 382 CO 0.01 0.14 0.04 0.40 -1.14 0.00 0.00 176.83 176.28 3k13 h ILE 383 N 0.25 1.25 -0.30 3.27 2.04 -1.38 0.11 117.51 122.75 3k13 h ILE 383 Ca 0.20 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.12 3k13 h ILE 383 Cb 0.46 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3k13 h ILE 383 CO -0.04 0.32 0.19 0.00 0.00 0.00 0.00 178.15 178.62 3k13 h ALA 384 N 0.92 0.38 -0.12 1.87 0.00 -1.25 -2.36 119.26 118.69 3k13 h ALA 384 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3k13 h ALA 384 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3k13 h ALA 384 CO 0.01 -0.17 0.07 -0.09 0.00 0.00 0.00 179.25 179.08 3k13 h ARG 385 N 0.39 0.17 -0.81 0.00 2.43 -0.71 -2.16 114.38 113.69 3k13 h ARG 385 Ca 0.11 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 3k13 h ARG 385 Cb -0.03 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 3k13 h ARG 385 CO -0.03 0.19 0.53 0.37 -1.51 0.00 0.00 179.97 179.52 3k13 h GLN 386 N 0.11 0.85 -0.65 0.20 5.75 -0.81 -0.76 115.11 119.80 3k13 h GLN 386 Ca 0.04 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 3k13 h GLN 386 Cb 0.07 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 3k13 h GLN 386 CO -0.01 0.56 0.07 1.96 -2.65 0.00 0.00 178.83 178.77 3k13 h GLN 387 N 0.88 1.10 -0.59 1.69 4.20 -0.91 -0.50 115.11 120.98 3k13 h GLN 387 Ca 0.35 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 3k13 h GLN 387 Cb 0.25 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 3k13 h GLN 387 CO -0.13 1.03 0.18 0.28 -0.67 0.00 0.00 178.83 179.53 3k13 h VAL 388 N 1.02 1.24 -0.21 -0.54 2.07 -0.78 0.15 116.25 119.20 3k13 h VAL 388 Ca 0.19 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 3k13 h VAL 388 Cb 0.49 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3k13 h VAL 388 CO 0.02 0.31 -0.03 -0.33 0.02 0.00 0.00 177.57 177.56 3k13 h GLU 389 N 0.84 0.32 -0.03 1.57 5.08 -0.85 -1.38 114.58 120.13 3k13 h GLU 389 Ca 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3k13 h GLU 389 Cb 0.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3k13 h GLU 389 CO -0.01 0.37 0.00 -0.25 -1.00 0.00 0.00 179.01 178.12 3k13 n ASP 390 N -4.33 0.26 0.00 1.42 8.00 -0.22 -4.90 116.55 116.77 3k13 n ASP 390 Ca 0.00 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.85 3k13 n ASP 390 Cb 0.21 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 0.75 0.64 3.70 0.44 0.00 -0.52 -4.79 105.19 105.41 3k13 n GLY 391 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.67 2.11 0.79 4.61 0.00 0.01 -4.66 120.51 121.69 3k13 n ALA 392 Ca 0.00 0.41 0.09 0.00 0.00 0.00 0.00 53.44 53.94 3k13 n ALA 392 Cb 0.00 -2.43 0.07 0.00 0.00 0.00 0.00 19.45 17.09 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 3.15 2.48 -3.78 0.00 4.77 0.03 -4.49 117.00 119.17 3k13 n LEU 393 Ca 0.14 -0.97 -0.13 0.00 -0.03 0.00 0.00 56.01 55.02 3k13 n LEU 393 Cb 0.33 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 3k13 n LEU 393 CO 0.64 0.43 -0.02 -0.69 -1.33 0.00 0.00 177.39 176.42 3k13 s VAL 394 N -1.64 0.04 -0.21 4.08 1.01 -1.19 -3.98 120.40 118.51 3k13 s VAL 394 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.87 3k13 s VAL 394 Cb 0.16 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 36.04 3k13 s VAL 394 CO 0.26 -0.18 -0.14 -0.63 0.00 0.00 0.00 175.10 174.41 3k13 s ILE 395 N -0.77 2.39 0.02 2.22 -1.09 -0.81 -0.88 121.20 122.26 3k13 s ILE 395 Ca -0.09 -1.02 -0.28 0.00 -2.23 0.00 0.00 60.65 57.03 3k13 s ILE 395 Cb -0.04 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.67 3k13 s ILE 395 CO 0.02 0.37 0.91 -0.62 -1.23 0.00 0.00 174.94 174.39 3k13 s ASP 396 N 1.29 7.32 -0.14 3.58 2.15 -0.58 -4.46 116.67 125.83 3k13 s ASP 396 Ca 0.02 1.59 0.01 0.00 0.43 0.00 0.00 52.55 54.61 3k13 s ASP 396 Cb -0.15 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 3k13 s ASP 396 CO -0.09 -0.17 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.88 3k13 s VAL 397 N 0.67 1.73 0.27 1.11 1.01 -1.26 -3.90 120.40 120.04 3k13 s VAL 397 Ca 0.47 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3k13 s VAL 397 Cb -0.21 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3k13 s VAL 397 CO 0.26 0.49 0.08 0.21 0.00 0.00 0.00 175.10 176.14 3k13 s ASN 398 N 1.12 1.45 0.00 3.32 3.84 -0.11 -0.90 114.94 123.67 3k13 s ASN 398 Ca -0.02 -1.38 0.00 0.00 0.21 0.00 0.00 52.86 51.67 3k13 s ASN 398 Cb -0.14 0.11 0.00 0.00 -0.55 0.00 0.00 41.25 40.67 3k13 s ASN 398 CO -0.06 -0.70 0.00 0.47 -2.79 0.00 0.00 177.10 174.03 3k13 n ASP 400 N -0.51 -0.40 -3.69 -4.21 8.00 -1.26 -1.32 116.55 113.16 3k13 n ASP 400 Ca -0.01 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.35 3k13 n ASP 400 Cb 0.66 -0.20 -0.09 0.00 -0.02 0.00 0.00 41.12 41.48 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 -0.44 0.57 -2.24 2.15 -1.26 -4.48 116.67 110.96 3k13 s ASP 401 Ca 0.00 0.69 0.25 0.00 0.43 0.00 0.00 52.55 53.93 3k13 s ASP 401 Cb 0.00 0.73 1.58 0.00 -0.30 0.00 0.00 42.92 44.93 3k13 s ASP 401 CO 0.00 -0.31 2.14 1.23 -0.17 0.00 0.00 175.17 178.06 3k13 h GLY 402 N 4.61 0.00 2.00 2.66 0.00 -2.05 -1.46 103.07 108.83 3k13 h GLY 402 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3k13 h GLY 402 CO 0.28 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.23 3k13 h LEU 403 N 0.00 0.00 -9.15 3.11 3.38 -2.04 -3.46 115.31 107.15 3k13 h LEU 403 Ca 0.06 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.36 3k13 h LEU 403 Cb 0.29 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.86 3k13 h LEU 403 CO -0.00 0.00 -0.77 -0.76 0.09 0.00 0.00 178.44 177.00 3k13 s LEU 404 N -5.99 2.85 -1.01 1.67 1.43 -0.55 -5.05 118.68 112.02 3k13 s LEU 404 Ca 0.03 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 3k13 s LEU 404 Cb 0.08 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.69 3k13 s LEU 404 CO 0.55 0.19 1.42 -0.62 0.23 0.00 0.00 176.35 178.12 3k13 s ASP 405 N -2.04 6.51 0.21 2.29 -1.08 -1.26 -4.68 116.67 116.62 3k13 s ASP 405 Ca 0.19 -1.51 -0.10 0.00 -0.52 0.00 0.00 52.55 50.61 3k13 s ASP 405 Cb -0.11 -2.55 0.29 0.00 -1.46 0.00 0.00 42.92 39.08 3k13 s ASP 405 CO 0.11 -1.46 1.71 0.00 0.52 0.00 0.00 175.17 176.05 3k13 h ALA 406 N 9.69 0.72 -0.49 3.66 0.00 -1.97 -0.83 119.26 130.05 3k13 h ALA 406 Ca 0.20 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.26 3k13 h ALA 406 Cb 1.01 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3k13 h ALA 406 CO 1.40 -0.28 0.26 -0.09 0.00 0.00 0.00 179.25 180.54 3k13 h ARG 407 N 0.29 0.50 -0.24 0.00 2.43 -1.92 -2.98 114.38 112.46 3k13 h ARG 407 Ca 0.31 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.26 3k13 h ARG 407 Cb 0.44 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3k13 h ARG 407 CO -0.37 0.33 -0.57 1.15 -1.51 0.00 0.00 179.97 178.99 3k13 h THR 408 N 0.52 1.29 0.00 0.20 2.02 -1.82 -1.89 112.91 113.22 3k13 h THR 408 Ca 0.21 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.62 3k13 h THR 408 Cb 0.08 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3k13 h THR 408 CO -0.13 0.57 0.00 -0.62 0.37 0.00 0.00 175.52 175.71 3k13 n GLU 409 N -4.04 0.20 0.00 6.66 -0.58 -0.38 -1.06 120.64 121.45 3k13 n GLU 409 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3k13 n GLU 409 Cb 0.64 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 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 0.78 0.00 -0.02 2.62 -2.24 -0.71 -1.00 114.28 113.70 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 0.09 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.31 4.28 2.02 -1.35 -1.46 112.91 117.16 3k13 h THR 412 Ca 0.00 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 66.84 3k13 h THR 412 Cb 0.00 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3k13 h THR 412 CO 0.00 0.06 -0.46 0.15 0.37 0.00 0.00 175.52 175.64 3k13 h PHE 413 N 0.14 1.00 -0.43 3.16 3.57 -1.32 -1.38 116.94 121.68 3k13 h PHE 413 Ca 0.05 -0.32 -0.05 0.00 3.53 0.00 0.00 57.97 61.18 3k13 h PHE 413 Cb 0.04 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3k13 h PHE 413 CO -0.05 1.12 0.08 -0.07 -2.23 0.00 0.00 178.31 177.16 3k13 h LEU 414 N 0.65 0.68 -0.71 0.59 3.38 -1.78 -0.91 115.31 117.20 3k13 h LEU 414 Ca 0.04 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3k13 h LEU 414 Cb 1.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 3k13 h LEU 414 CO 0.10 0.76 0.46 0.78 0.09 0.00 0.00 178.44 180.62 3k13 h ASN 415 N 0.57 0.76 -0.61 -0.43 2.35 -1.14 -2.69 115.58 114.41 3k13 h ASN 415 Ca 0.13 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3k13 h ASN 415 Cb 0.36 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3k13 h ASN 415 CO 0.01 0.54 0.29 0.25 -1.65 0.00 0.00 177.43 176.86 3k13 h LEU 416 N 0.90 0.80 -2.40 1.61 5.85 -0.94 -2.79 115.31 118.34 3k13 h LEU 416 Ca 0.28 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3k13 h LEU 416 Cb -0.02 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.80 3k13 h LEU 416 CO -0.09 0.71 0.00 -0.38 -0.34 0.00 0.00 178.44 178.34 3k13 n ILE 417 N -4.51 0.00 0.00 4.05 5.41 -0.37 -3.29 119.36 120.64 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 0.13 -0.45 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 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 1.00 0.00 -4.05 4.38 3.41 -1.06 -3.47 113.62 113.84 3k13 n SER 419 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 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 1.62 0.28 4.33 2.56 -1.21 -5.01 118.70 121.28 3k13 s GLU 420 Ca 0.00 -1.86 0.02 0.00 0.00 0.00 0.00 54.97 53.12 3k13 s GLU 420 Cb 0.00 -3.31 0.63 0.00 2.00 0.00 0.00 34.13 33.45 3k13 s GLU 420 CO 0.00 -0.97 1.75 -1.35 -0.56 0.00 0.00 175.26 174.12 3k13 h PRO 421 N 7.73 0.58 -0.28 4.30 0.11 -1.95 0.11 132.00 142.59 3k13 h PRO 421 Ca -0.06 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.09 3k13 h PRO 421 Cb 1.03 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3k13 h PRO 421 CO 0.57 0.38 0.31 0.93 -0.21 0.00 0.00 178.00 179.98 3k13 h GLU 422 N 0.60 0.00 0.00 1.05 5.08 -1.94 -2.82 114.58 116.54 3k13 h GLU 422 Ca 0.51 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.66 3k13 h GLU 422 Cb 0.81 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 3k13 h GLU 422 CO -0.41 0.00 -1.81 -0.89 -1.00 0.00 0.00 179.01 174.91 3k13 n ILE 423 N -3.77 0.81 0.29 3.13 5.41 -0.03 -4.52 119.36 120.68 3k13 n ILE 423 Ca 0.04 -0.40 0.15 0.00 1.00 0.00 0.00 62.75 63.55 3k13 n ILE 423 Cb 0.46 -0.86 0.74 0.00 -0.71 0.00 0.00 39.64 39.26 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 0.27 1.00 0.00 -1.39 0.00 -0.78 -2.72 119.26 115.64 3k13 h ALA 424 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3k13 h ALA 424 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3k13 h ALA 424 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.77 3k13 n ARG 425 N -2.62 0.09 -4.43 0.00 1.74 -1.08 -4.71 116.66 105.67 3k13 n ARG 425 Ca -0.00 0.52 -0.24 0.00 -0.77 0.00 0.00 57.85 57.35 3k13 n ARG 425 Cb 0.15 -1.76 -0.13 0.00 -1.02 0.00 0.00 32.46 29.69 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 -3.29 1.63 0.73 1.55 -7.23 -1.03 -5.11 120.40 107.65 3k13 s VAL 426 Ca 0.00 -1.36 -0.14 0.00 -1.81 0.00 0.00 61.98 58.68 3k13 s VAL 426 Cb 0.05 -1.46 0.04 0.00 0.56 0.00 0.00 36.38 35.57 3k13 s VAL 426 CO 0.18 0.05 1.14 -2.84 -0.31 0.00 0.00 175.10 173.32 3k13 s PRO 427 N -1.55 2.30 0.00 4.82 0.01 -1.26 -4.81 135.00 134.51 3k13 s PRO 427 Ca 0.06 1.50 0.00 0.00 0.01 0.00 0.00 61.00 62.57 3k13 s PRO 427 Cb -0.09 -1.88 0.00 0.00 0.01 0.00 0.00 34.50 32.54 3k13 s PRO 427 CO 0.03 -1.66 0.00 0.28 0.01 0.00 0.00 177.00 175.66 3k13 n VAL 428 N -2.88 0.00 -3.17 3.83 0.31 -1.00 -1.93 118.33 113.49 3k13 n VAL 428 Ca 0.11 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.47 3k13 n VAL 428 Cb 0.52 -0.59 -0.02 0.00 -0.91 0.00 0.00 33.84 32.84 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 2.06 -0.95 -0.38 2.52 1.01 0.68 -1.25 121.20 124.90 3k13 s ILE 430 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 3k13 s ILE 430 Cb 0.00 -0.98 0.09 0.00 0.01 0.00 0.00 42.46 41.58 3k13 s ILE 430 CO 0.00 -0.01 0.15 -0.62 0.00 0.00 0.00 174.94 174.46 3k13 s ASP 431 N 2.82 5.22 -0.03 3.58 -1.08 -0.07 -0.88 116.67 126.23 3k13 s ASP 431 Ca 0.20 -1.71 -0.17 0.00 -0.52 0.00 0.00 52.55 50.35 3k13 s ASP 431 Cb -0.15 -1.82 0.03 0.00 -1.46 0.00 0.00 42.92 39.52 3k13 s ASP 431 CO -0.20 -0.46 0.37 -0.55 0.52 0.00 0.00 175.17 174.85 3k13 s SER 432 N 1.69 -0.28 0.11 -0.34 0.15 -0.98 -4.07 113.70 109.98 3k13 s SER 432 Ca 0.04 0.25 0.26 0.00 0.70 0.00 0.00 55.95 57.20 3k13 s SER 432 Cb -0.22 0.40 0.99 0.00 -1.71 0.00 0.00 66.02 65.49 3k13 s SER 432 CO -0.02 -0.43 1.81 -1.54 1.20 0.00 0.00 173.24 174.26 3k13 n SER 433 N 1.40 0.39 -4.59 5.45 3.41 -1.26 -4.17 113.62 114.25 3k13 n SER 433 Ca -0.20 0.54 -0.36 0.00 -0.26 0.00 0.00 58.87 58.59 3k13 n SER 433 Cb 0.56 -0.65 -0.11 0.00 -0.26 0.00 0.00 64.21 63.76 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 -3.07 3.92 0.28 4.33 -0.14 -1.26 -4.99 119.74 118.82 3k13 s LYS 434 Ca 0.11 -0.35 -0.04 0.00 -1.36 0.00 0.00 55.97 54.34 3k13 s LYS 434 Cb 0.15 -3.43 0.36 0.00 -1.68 0.00 0.00 37.83 33.23 3k13 s LYS 434 CO 0.53 0.01 1.93 2.35 -0.76 0.00 0.00 175.35 179.41 3k13 h TRP 435 N 7.65 1.11 -0.81 3.18 2.91 -1.97 -2.04 115.95 125.97 3k13 h TRP 435 Ca -0.37 0.01 0.10 0.00 1.13 0.00 0.00 58.89 59.76 3k13 h TRP 435 Cb 1.17 -0.37 -0.06 0.00 -0.51 0.00 0.00 29.16 29.40 3k13 h TRP 435 CO 0.66 0.72 0.53 0.93 -1.03 0.00 0.00 178.44 180.26 3k13 h GLU 436 N 1.17 0.71 -0.17 2.65 3.07 -1.99 0.84 114.58 120.86 3k13 h GLU 436 Ca 0.31 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.07 3k13 h GLU 436 Cb -0.08 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.67 3k13 h GLU 436 CO -0.06 0.47 -0.10 0.28 -1.40 0.00 0.00 179.01 178.20 3k13 h VAL 437 N 0.73 1.32 -0.29 3.13 2.07 -1.78 -1.48 116.25 119.94 3k13 h VAL 437 Ca 0.38 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.78 3k13 h VAL 437 Cb 0.49 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 3k13 h VAL 437 CO -0.15 0.35 0.07 0.40 0.02 0.00 0.00 177.57 178.25 3k13 h ILE 438 N 0.05 0.88 -0.42 4.57 2.04 -1.03 -1.17 117.51 122.43 3k13 h ILE 438 Ca 0.04 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 3k13 h ILE 438 Cb 0.58 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3k13 h ILE 438 CO 0.03 0.03 -0.13 -0.08 0.00 0.00 0.00 178.15 178.00 3k13 h GLU 439 N 0.18 0.77 -0.73 2.37 4.81 -0.86 1.00 114.58 122.11 3k13 h GLU 439 Ca 0.13 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3k13 h GLU 439 Cb 0.13 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 3k13 h GLU 439 CO -0.17 0.86 0.45 0.00 -0.73 0.00 0.00 179.01 179.42 3k13 h ALA 440 N 1.16 0.96 -0.30 2.92 0.00 -0.89 -0.16 119.26 122.96 3k13 h ALA 440 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3k13 h ALA 440 Cb 0.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3k13 h ALA 440 CO 0.04 0.21 0.13 0.78 0.00 0.00 0.00 179.25 180.41 3k13 h GLY 441 N 0.86 0.48 0.76 0.00 0.00 -0.52 -2.01 103.07 102.64 3k13 h GLY 441 Ca 0.30 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.42 3k13 h GLY 441 CO -0.13 0.24 0.41 1.41 0.00 0.00 0.00 176.54 178.48 3k13 h LEU 442 N 0.34 0.65 -0.86 3.11 3.38 -0.50 -1.41 115.31 120.02 3k13 h LEU 442 Ca 0.10 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3k13 h LEU 442 Cb 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3k13 h LEU 442 CO -0.01 0.43 0.32 0.50 0.09 0.00 0.00 178.44 179.77 3k13 h LYS 443 N 0.78 1.15 0.00 1.13 3.64 -0.78 -3.16 116.57 119.33 3k13 h LYS 443 Ca 0.30 -0.20 -0.17 0.00 -1.27 0.00 0.00 60.65 59.31 3k13 h LYS 443 Cb 0.12 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3k13 h LYS 443 CO -0.15 0.93 -1.31 0.00 -2.27 0.00 0.00 179.45 176.65 3k13 s LEU 445 N -5.91 3.86 -1.08 0.00 1.43 -0.56 -4.97 118.68 111.45 3k13 s LEU 445 Ca -0.02 2.10 -0.07 0.00 -1.03 0.00 0.00 54.13 55.11 3k13 s LEU 445 Cb 0.09 -4.49 0.27 0.00 0.03 0.00 0.00 46.19 42.09 3k13 s LEU 445 CO 0.80 -0.96 1.10 0.00 0.23 0.00 0.00 176.35 177.53 3k13 n GLN 446 N -0.95 3.49 0.00 1.70 6.02 -1.26 -4.96 117.38 121.43 3k13 n GLN 446 Ca 0.10 -4.48 0.00 0.00 -0.01 0.00 0.00 57.00 52.61 3k13 n GLN 446 Cb 0.51 -2.52 0.00 0.00 1.02 0.00 0.00 30.24 29.25 3k13 n GLN 446 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k13 n GLY 447 N 2.46 0.01 3.57 1.08 0.00 -1.26 -4.96 105.19 106.09 3k13 n GLY 447 Ca 0.24 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 3k13 n GLY 447 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3k13 n LYS 448 N -0.21 -7.24 -4.07 1.61 4.81 -1.26 -4.96 118.16 106.83 3k13 n LYS 448 Ca 0.00 0.81 -0.11 0.00 -0.87 0.00 0.00 58.31 58.14 3k13 n LYS 448 Cb 0.00 -5.82 -0.11 0.00 0.02 0.00 0.00 35.03 29.12 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 -3.70 0.71 -0.07 3.14 1.04 -1.26 -2.37 113.70 111.19 3k13 s SER 449 Ca 0.38 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 56.14 3k13 s SER 449 Cb -0.17 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.05 3k13 s SER 449 CO 0.74 -0.33 -0.09 -0.63 0.98 0.00 0.00 173.24 173.91 3k13 s ILE 450 N -2.18 0.94 0.07 -1.02 1.01 -0.38 -2.35 121.20 117.29 3k13 s ILE 450 Ca -0.05 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 59.98 3k13 s ILE 450 Cb -0.05 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 3k13 s ILE 450 CO -0.02 0.32 0.91 -0.69 0.00 0.00 0.00 174.94 175.46 3k13 s VAL 451 N 0.98 4.64 -0.46 2.92 1.01 -0.12 -0.23 120.40 129.13 3k13 s VAL 451 Ca -0.09 1.96 0.03 0.00 0.00 0.00 0.00 61.98 63.87 3k13 s VAL 451 Cb -0.15 -4.27 0.14 0.00 0.00 0.00 0.00 36.38 32.11 3k13 s VAL 451 CO 0.00 0.29 0.27 0.21 0.00 0.00 0.00 175.10 175.88 3k13 s ASN 452 N 0.21 3.55 0.37 3.32 2.47 -0.05 -0.45 114.94 124.36 3k13 s ASN 452 Ca 0.46 -2.79 -0.16 0.00 0.42 0.00 0.00 52.86 50.79 3k13 s ASN 452 Cb -0.22 -1.03 0.06 0.00 -1.45 0.00 0.00 41.25 38.61 3k13 s ASN 452 CO 0.28 -0.24 0.82 -0.94 -3.72 0.00 0.00 177.10 173.30 3k13 s SER 453 N 0.15 0.03 0.31 -4.21 1.04 -1.26 -2.33 113.70 107.42 3k13 s SER 453 Ca 0.20 -1.14 0.11 0.00 0.48 0.00 0.00 55.95 55.59 3k13 s SER 453 Cb -0.19 0.83 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 3k13 s SER 453 CO -0.03 -1.65 -0.12 0.27 0.98 0.00 0.00 173.24 172.68 3k13 s ILE 454 N -2.17 2.50 0.34 -1.02 -4.36 -0.54 -5.00 121.20 110.96 3k13 s ILE 454 Ca 0.16 -2.25 -0.18 0.00 -0.26 0.00 0.00 60.65 58.13 3k13 s ILE 454 Cb -0.05 -2.52 0.04 0.00 1.25 0.00 0.00 42.46 41.18 3k13 s ILE 454 CO 0.11 -0.31 0.76 -0.94 0.24 0.00 0.00 174.94 174.81 3k13 s SER 455 N -3.58 -0.10 0.00 4.36 1.04 -1.26 -4.16 113.70 110.00 3k13 s SER 455 Ca 0.31 -0.93 0.15 0.00 0.48 0.00 0.00 55.95 55.97 3k13 s SER 455 Cb -0.02 0.80 0.50 0.00 0.10 0.00 0.00 66.02 67.41 3k13 s SER 455 CO 0.16 -1.55 1.39 0.18 0.98 0.00 0.00 173.24 174.40 3k13 n LEU 456 N -0.50 1.83 -0.34 2.42 4.77 -0.67 -4.48 117.00 120.03 3k13 n LEU 456 Ca -0.07 -0.86 0.17 0.00 -0.03 0.00 0.00 56.01 55.23 3k13 n LEU 456 Cb 0.60 -0.18 0.39 0.00 -2.33 0.00 0.00 43.42 41.89 3k13 n LEU 456 CO 0.22 0.43 1.18 0.50 -1.33 0.00 0.00 177.39 178.39 3k13 h LYS 457 N 2.17 0.58 -0.53 3.23 3.64 -1.70 -0.33 116.57 123.63 3k13 h LYS 457 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3k13 h LYS 457 Cb 0.49 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3k13 h LYS 457 CO 0.00 0.39 0.00 0.39 -2.27 0.00 0.00 179.45 177.96 3k13 n GLU 458 N -4.79 3.13 0.00 1.90 1.02 -1.26 -4.56 120.64 116.08 3k13 n GLU 458 Ca 0.25 -2.57 0.00 0.00 -0.02 0.00 0.00 57.16 54.82 3k13 n GLU 458 Cb 0.71 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.88 1.64 0.22 0.62 0.00 -0.14 -4.57 105.19 103.84 3k13 n GLY 459 Ca 0.21 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 0.75 -0.33 1.61 4.81 -1.94 -2.41 114.58 117.06 3k13 h GLU 460 Ca 0.00 -0.36 0.02 0.00 -0.13 0.00 0.00 59.36 58.88 3k13 h GLU 460 Cb 0.00 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3k13 h GLU 460 CO 0.00 0.98 0.18 1.49 -0.73 0.00 0.00 179.01 180.93 3k13 h GLU 461 N 0.52 0.36 -0.38 1.92 4.81 -1.99 0.04 114.58 119.85 3k13 h GLU 461 Ca 0.06 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3k13 h GLU 461 Cb 0.81 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3k13 h GLU 461 CO 0.07 0.24 0.23 0.28 -0.73 0.00 0.00 179.01 179.09 3k13 h VAL 462 N 0.37 1.13 -0.35 0.32 2.07 -1.80 -1.21 116.25 116.79 3k13 h VAL 462 Ca 0.14 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 67.41 3k13 h VAL 462 Cb 0.02 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 3k13 h VAL 462 CO -0.08 0.13 0.02 0.15 0.02 0.00 0.00 177.57 177.81 3k13 h PHE 463 N 0.50 0.01 -0.51 1.57 3.57 -1.00 -1.16 116.94 119.92 3k13 h PHE 463 Ca 0.14 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 3k13 h PHE 463 Cb 0.01 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3k13 h PHE 463 CO -0.03 -0.05 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.77 3k13 h LEU 464 N 0.12 1.02 0.07 0.59 3.38 -0.77 -0.80 115.31 118.92 3k13 h LEU 464 Ca 0.17 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3k13 h LEU 464 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3k13 h LEU 464 CO -0.27 1.16 -0.14 -0.08 0.09 0.00 0.00 178.44 179.20 3k13 h GLU 465 N 0.88 -0.26 -0.45 1.13 4.81 -0.96 -0.38 114.58 119.34 3k13 h GLU 465 Ca 0.13 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3k13 h GLU 465 Cb 0.74 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 3k13 h GLU 465 CO 0.06 -0.18 0.26 0.45 -0.73 0.00 0.00 179.01 178.87 3k13 h HIS 466 N -0.27 0.62 -0.92 0.92 3.86 -1.05 -2.22 115.15 116.08 3k13 h HIS 466 Ca 0.03 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3k13 h HIS 466 Cb 0.30 -0.20 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 3k13 h HIS 466 CO -0.16 0.46 0.61 0.00 0.86 0.00 0.00 177.93 179.69 3k13 h ALA 467 N 1.11 1.37 -0.60 2.45 0.00 -0.93 -0.35 119.26 122.30 3k13 h ALA 467 Ca 0.16 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3k13 h ALA 467 Cb 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3k13 h ALA 467 CO -0.03 0.57 0.24 0.00 0.00 0.00 0.00 179.25 180.04 3k13 h ARG 468 N 1.21 0.90 -0.54 0.00 3.08 -0.80 0.65 114.38 118.88 3k13 h ARG 468 Ca 0.35 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3k13 h ARG 468 Cb -0.09 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 3k13 h ARG 468 CO -0.09 0.76 0.27 0.82 -1.07 0.00 0.00 179.97 180.67 3k13 h ILE 469 N 0.83 1.19 -0.31 2.04 2.04 -0.76 -1.61 117.51 120.94 3k13 h ILE 469 Ca 0.20 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3k13 h ILE 469 Cb 0.20 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3k13 h ILE 469 CO -0.02 0.22 0.18 0.40 0.00 0.00 0.00 178.15 178.93 3k13 h ILE 470 N 0.72 1.11 -0.65 -0.67 2.04 -0.78 -1.98 117.51 117.30 3k13 h ILE 470 Ca 0.19 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3k13 h ILE 470 Cb 0.10 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3k13 h ILE 470 CO -0.03 0.11 0.37 0.50 0.00 0.00 0.00 178.15 179.10 3k13 h LYS 471 N 0.39 0.68 -0.87 2.37 3.64 -0.66 -2.30 116.57 119.82 3k13 h LYS 471 Ca 0.11 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3k13 h LYS 471 Cb 0.01 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.63 3k13 h LYS 471 CO -0.02 0.45 0.58 1.96 -2.27 0.00 0.00 179.45 180.15 3k13 h GLN 472 N 0.70 1.10 0.00 1.90 4.20 -0.70 0.11 115.11 122.43 3k13 h GLN 472 Ca 0.28 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3k13 h GLN 472 Cb 0.13 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3k13 h GLN 472 CO -0.15 0.73 0.00 0.66 -0.67 0.00 0.00 178.83 179.39 3k13 n TYR 473 N -4.43 0.00 -1.18 2.96 4.01 -0.80 -4.92 117.16 112.81 3k13 n TYR 473 Ca 0.11 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.79 3k13 n TYR 473 Cb 0.07 -0.37 -0.03 0.00 -0.31 0.00 0.00 39.34 38.71 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 0.43 0.82 3.86 2.72 0.00 0.39 -4.84 105.19 108.58 3k13 n GLY 474 Ca 0.08 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.07 3.25 0.61 4.61 0.00 -1.01 -4.88 121.76 122.27 3k13 s ALA 475 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.85 3k13 s ALA 475 Cb 0.00 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.29 3k13 s ALA 475 CO 0.00 -0.04 0.93 0.00 0.00 0.00 0.00 175.76 176.65 3k13 s ALA 476 N -2.40 3.26 -0.05 0.00 0.00 -0.99 -4.58 121.76 117.00 3k13 s ALA 476 Ca 0.54 -0.69 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 3k13 s ALA 476 Cb -0.10 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.39 3k13 s ALA 476 CO 0.29 -0.87 0.12 -0.08 0.00 0.00 0.00 175.76 175.22 3k13 s THR 477 N -3.04 -0.00 0.21 0.00 -1.32 -0.50 -0.95 115.64 110.03 3k13 s THR 477 Ca 0.55 0.01 -0.30 0.00 -1.21 0.00 0.00 61.69 60.74 3k13 s THR 477 Cb -0.11 -0.17 -0.08 0.00 -1.51 0.00 0.00 72.50 70.63 3k13 s THR 477 CO 0.46 0.00 1.04 -0.69 -2.21 0.00 0.00 174.62 173.22 3k13 s VAL 478 N 0.11 3.91 0.00 5.08 1.01 0.40 -0.51 120.40 130.40 3k13 s VAL 478 Ca -0.00 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.74 3k13 s VAL 478 Cb -0.01 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3k13 s VAL 478 CO -0.00 0.36 0.00 0.52 0.00 0.00 0.00 175.10 175.97 3k13 n VAL 479 N 1.94 0.00 -3.80 2.92 0.31 0.80 -1.47 118.33 119.03 3k13 n VAL 479 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.06 3k13 n VAL 479 Cb 0.46 -0.09 -0.12 0.00 -0.91 0.00 0.00 33.84 33.19 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 3.35 -3.68 3.52 0.00 -0.49 -0.85 120.51 119.37 3k13 n ALA 481 Ca 0.00 -4.31 -0.11 0.00 0.00 0.00 0.00 53.44 49.02 3k13 n ALA 481 Cb 0.00 -0.98 -0.11 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 -1.27 -0.58 0.00 0.00 2.19 -1.26 -1.33 117.98 115.72 3k13 s PHE 482 Ca 0.27 1.22 0.00 0.00 0.33 0.00 0.00 56.93 58.74 3k13 s PHE 482 Cb -0.02 0.18 0.00 0.00 -1.31 0.00 0.00 43.02 41.87 3k13 s PHE 482 CO -0.17 -0.37 0.00 -0.40 1.83 0.00 0.00 175.22 176.11 3k13 n ASP 483 N 4.87 1.05 0.13 6.13 5.68 -0.72 -1.67 116.55 132.01 3k13 n ASP 483 Ca -0.15 -0.52 0.11 0.00 -0.50 0.00 0.00 54.79 53.73 3k13 n ASP 483 Cb 0.52 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.99 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 0.16 0.00 0.11 4.71 -1.17 -1.75 120.64 122.70 3k13 n GLU 484 Ca 0.00 0.48 0.11 0.00 -0.01 0.00 0.00 57.16 57.73 3k13 n GLU 484 Cb 0.00 -1.86 -0.02 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 0.06 0.00 3.49 5.02 -1.26 -5.05 118.16 118.25 3k13 n LYS 485 Ca 0.01 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3k13 n LYS 485 Cb 0.16 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 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 1.48 0.74 3.73 0.72 0.00 -0.72 -5.06 105.19 106.08 3k13 n GLY 486 Ca 0.04 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.06 4.49 -0.46 1.61 0.74 -1.26 -1.76 119.66 121.96 3k13 s GLN 487 Ca 0.00 1.84 -0.29 0.00 0.05 0.00 0.00 55.36 56.97 3k13 s GLN 487 Cb 0.00 -3.26 0.02 0.00 1.10 0.00 0.00 33.01 30.86 3k13 s GLN 487 CO 0.00 -0.11 1.33 0.00 -0.55 0.00 0.00 175.29 175.96 3k13 s ALA 488 N 0.17 3.04 -0.21 1.58 0.00 -0.45 -4.86 121.76 121.03 3k13 s ALA 488 Ca 0.54 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.12 3k13 s ALA 488 Cb -0.32 -3.95 -0.20 0.00 0.00 0.00 0.00 23.12 18.65 3k13 s ALA 488 CO 0.35 -2.44 -0.01 -0.40 0.00 0.00 0.00 175.76 173.26 3k13 n ASP 489 N 8.65 2.02 -4.92 0.00 5.75 -1.26 -4.66 116.55 122.14 3k13 n ASP 489 Ca 0.15 0.07 -0.26 0.00 -0.01 0.00 0.00 54.79 54.73 3k13 n ASP 489 Cb 0.48 -0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 39.92 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 -2.52 4.97 0.22 2.12 -4.23 -1.26 -4.85 115.64 110.08 3k13 s THR 490 Ca -0.31 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.12 3k13 s THR 490 Cb 0.09 -3.85 0.17 0.00 1.34 0.00 0.00 72.50 70.24 3k13 s THR 490 CO 0.65 -0.72 1.73 0.00 -0.54 0.00 0.00 174.62 175.73 3k13 h ALA 491 N 0.50 0.83 -0.75 3.99 0.00 -1.94 -1.03 119.26 120.85 3k13 h ALA 491 Ca -0.48 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3k13 h ALA 491 Cb 1.21 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 3k13 h ALA 491 CO 0.62 -0.23 0.39 0.00 0.00 0.00 0.00 179.25 180.03 3k13 h ALA 492 N 1.47 0.97 -0.51 0.00 0.00 -1.94 -1.12 119.26 118.12 3k13 h ALA 492 Ca 0.33 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3k13 h ALA 492 Cb 0.46 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3k13 h ALA 492 CO -0.36 0.50 0.05 0.00 0.00 0.00 0.00 179.25 179.44 3k13 h ARG 493 N 1.05 0.87 -0.54 0.00 2.47 -1.84 -1.24 114.38 115.14 3k13 h ARG 493 Ca 0.26 -0.25 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3k13 h ARG 493 Cb 0.07 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 3k13 h ARG 493 CO -0.04 0.88 0.32 0.87 0.56 0.00 0.00 179.97 182.56 3k13 h LYS 494 N 0.74 0.73 -0.34 0.04 1.57 -0.85 -1.20 116.57 117.27 3k13 h LYS 494 Ca 0.15 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3k13 h LYS 494 Cb 0.45 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3k13 h LYS 494 CO 0.02 0.53 -0.10 0.82 -0.57 0.00 0.00 179.45 180.14 3k13 h ILE 495 N 0.72 1.28 -0.15 1.86 2.04 -1.14 -2.06 117.51 120.07 3k13 h ILE 495 Ca 0.19 -1.18 0.04 0.00 1.00 0.00 0.00 64.86 64.91 3k13 h ILE 495 Cb -0.01 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3k13 h ILE 495 CO -0.04 0.38 -0.10 -0.08 0.00 0.00 0.00 178.15 178.32 3k13 h GLU 496 N 0.44 -0.09 -0.18 2.37 4.81 -0.93 -0.46 114.58 120.55 3k13 h GLU 496 Ca 0.08 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3k13 h GLU 496 Cb 0.62 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3k13 h GLU 496 CO 0.04 -0.06 0.02 0.28 -0.73 0.00 0.00 179.01 178.56 3k13 h VAL 497 N -0.10 1.23 -0.59 0.32 2.07 -1.16 -2.49 116.25 115.53 3k13 h VAL 497 Ca 0.09 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 3k13 h VAL 497 Cb 0.23 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3k13 h VAL 497 CO -0.21 0.23 -0.02 0.00 0.02 0.00 0.00 177.57 177.59 3k13 h GLU 499 N 0.95 0.71 -0.37 0.00 4.22 -1.09 -0.09 114.58 118.91 3k13 h GLU 499 Ca 0.17 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.46 3k13 h GLU 499 Cb 0.58 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3k13 h GLU 499 CO 0.03 0.50 -0.11 -0.09 -2.18 0.00 0.00 179.01 177.17 3k13 h ARG 500 N 0.71 0.73 -0.83 1.92 2.43 -1.07 -2.30 114.38 115.97 3k13 h ARG 500 Ca 0.19 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3k13 h ARG 500 Cb -0.03 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 3k13 h ARG 500 CO -0.04 0.88 0.37 0.00 -1.51 0.00 0.00 179.97 179.68 3k13 h ALA 501 N 0.82 1.09 -0.05 2.80 0.00 -0.74 -1.75 119.26 121.43 3k13 h ALA 501 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3k13 h ALA 501 Cb 0.62 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3k13 h ALA 501 CO 0.04 0.67 0.03 -0.92 0.00 0.00 0.00 179.25 179.07 3k13 h TYR 502 N 1.19 0.07 -0.30 0.00 3.20 -0.84 -0.78 116.97 119.52 3k13 h TYR 502 Ca 0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3k13 h TYR 502 Cb 0.16 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3k13 h TYR 502 CO 0.02 0.08 0.20 0.00 -1.64 0.00 0.00 178.16 176.82 3k13 h ARG 503 N 0.04 0.40 -0.37 1.82 2.47 -1.22 0.21 114.38 117.73 3k13 h ARG 503 Ca 0.02 -0.03 0.05 0.00 -1.26 0.00 0.00 59.98 58.76 3k13 h ARG 503 Cb 0.03 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.22 3k13 h ARG 503 CO -0.00 0.27 0.12 -0.07 0.56 0.00 0.00 179.97 180.85 3k13 h LEU 504 N 0.40 0.12 -0.09 3.04 3.38 -1.20 0.19 115.31 121.15 3k13 h LEU 504 Ca 0.11 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3k13 h LEU 504 Cb -0.04 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k13 h LEU 504 CO -0.02 0.10 -0.01 -0.07 0.09 0.00 0.00 178.44 178.53 3k13 h LEU 505 N 0.27 0.17 -0.04 1.67 3.38 -0.81 -0.06 115.31 119.89 3k13 h LEU 505 Ca 0.17 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3k13 h LEU 505 Cb 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3k13 h LEU 505 CO -0.18 0.46 -0.16 0.58 0.09 0.00 0.00 178.44 179.23 3k13 h VAL 506 N -0.13 1.48 0.20 1.22 2.07 -0.97 0.49 116.25 120.61 3k13 h VAL 506 Ca 0.02 -1.64 -0.32 0.00 0.82 0.00 0.00 66.70 65.58 3k13 h VAL 506 Cb 0.38 2.46 0.03 0.00 -1.52 0.00 0.00 31.29 32.64 3k13 h VAL 506 CO 0.01 0.45 -1.39 0.44 0.02 0.00 0.00 177.57 177.10 3k13 h ASP 507 N -0.41 0.78 0.08 0.57 3.32 -0.70 -3.06 116.42 117.00 3k13 h ASP 507 Ca -0.01 -0.80 -0.37 0.00 0.02 0.00 0.00 57.03 55.87 3k13 h ASP 507 Cb 0.82 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.06 3k13 h ASP 507 CO 0.03 1.62 -2.27 0.29 -1.72 0.00 0.00 179.24 177.19 3k13 n LYS 508 N -3.70 0.68 0.02 3.56 5.02 -0.06 -4.49 118.16 119.19 3k13 n LYS 508 Ca -0.15 0.15 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 3k13 n LYS 508 Cb 1.07 -1.59 -0.08 0.00 -0.02 0.00 0.00 35.03 34.41 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 -3.14 0.12 -1.87 -0.18 0.31 -1.05 -4.97 118.33 107.55 3k13 n VAL 509 Ca -0.36 -0.33 -0.12 0.00 -0.01 0.00 0.00 64.34 63.52 3k13 n VAL 509 Cb 1.05 0.22 -0.03 0.00 -0.91 0.00 0.00 33.84 34.18 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 1.33 0.47 3.77 2.92 0.00 -0.76 -4.98 105.19 107.94 3k13 n GLY 510 Ca -0.00 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.55 3.04 -0.10 1.61 5.36 0.09 -4.96 117.98 120.48 3k13 s PHE 511 Ca 0.00 1.37 -0.29 0.00 -0.96 0.00 0.00 56.93 57.05 3k13 s PHE 511 Cb 0.00 -3.70 -0.05 0.00 -0.34 0.00 0.00 43.02 38.94 3k13 s PHE 511 CO 0.00 -1.95 1.69 1.21 -1.46 0.00 0.00 175.22 174.71 3k13 s ASN 512 N -0.37 6.52 0.53 6.13 2.47 -1.26 -4.42 114.94 124.52 3k13 s ASN 512 Ca 0.50 2.07 0.19 0.00 0.42 0.00 0.00 52.86 56.05 3k13 s ASN 512 Cb -0.40 -2.53 1.36 0.00 -1.45 0.00 0.00 41.25 38.23 3k13 s ASN 512 CO 0.52 -1.07 2.15 1.55 -3.72 0.00 0.00 177.10 176.53 3k13 h PRO 513 N 10.19 0.00 0.00 0.43 0.13 -1.92 -0.05 132.00 140.78 3k13 h PRO 513 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 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 0.97 0.02 0.00 0.72 -0.23 0.00 0.00 178.00 179.48 3k13 n HIS 514 N -4.35 0.59 0.20 1.56 8.25 -1.25 -1.94 115.22 118.28 3k13 n HIS 514 Ca -0.03 0.24 0.12 0.00 -0.26 0.00 0.00 57.72 57.78 3k13 n HIS 514 Cb 0.11 -0.88 0.25 0.00 1.12 0.00 0.00 29.99 30.59 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 -2.04 3.47 -4.66 0.41 8.00 -0.03 -4.82 116.55 116.86 3k13 n ASP 515 Ca 0.02 -1.98 -0.38 0.00 0.71 0.00 0.00 54.79 53.16 3k13 n ASP 515 Cb 0.21 -0.31 -0.08 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.38 5.25 -0.29 0.53 1.01 -0.82 -1.42 121.20 124.09 3k13 s ILE 516 Ca 0.41 0.53 0.01 0.00 0.00 0.00 0.00 60.65 61.60 3k13 s ILE 516 Cb 0.23 -3.65 0.06 0.00 0.01 0.00 0.00 42.46 39.11 3k13 s ILE 516 CO 0.32 0.28 -0.04 -0.63 0.00 0.00 0.00 174.94 174.87 3k13 s ILE 517 N 1.25 2.56 0.19 2.92 1.01 0.33 -0.99 121.20 128.49 3k13 s ILE 517 Ca 0.15 -1.61 -0.28 0.00 0.00 0.00 0.00 60.65 58.92 3k13 s ILE 517 Cb -0.14 -2.53 -0.08 0.00 0.01 0.00 0.00 42.46 39.71 3k13 s ILE 517 CO 0.07 -0.13 0.87 -0.36 0.00 0.00 0.00 174.94 175.39 3k13 s PHE 518 N 1.15 3.93 -0.36 3.97 0.08 -0.30 -0.14 117.98 126.31 3k13 s PHE 518 Ca -0.05 1.78 0.03 0.00 0.12 0.00 0.00 56.93 58.81 3k13 s PHE 518 Cb -0.20 -2.90 0.10 0.00 -0.57 0.00 0.00 43.02 39.46 3k13 s PHE 518 CO -0.04 0.45 0.09 0.34 -0.10 0.00 0.00 175.22 175.96 3k13 s ASP 519 N -1.02 4.59 0.00 1.36 -1.08 -0.03 -1.01 116.67 119.48 3k13 s ASP 519 Ca 0.39 -2.21 0.17 0.00 -0.52 0.00 0.00 52.55 50.38 3k13 s ASP 519 Cb -0.24 -1.52 1.00 0.00 -1.46 0.00 0.00 42.92 40.70 3k13 s ASP 519 CO 0.29 -0.36 1.47 -2.65 0.52 0.00 0.00 175.17 174.44 3k13 n PRO 520 N 4.17 0.72 -0.78 4.34 -0.02 -1.26 -1.39 135.00 140.79 3k13 n PRO 520 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3k13 n PRO 520 Cb 0.41 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 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 -1.24 -4.61 2.55 3.02 -1.26 -4.75 115.26 108.10 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 -0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 38.56 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 4.73 0.11 2.41 1.01 -1.26 -4.79 120.40 122.61 3k13 s VAL 522 Ca 0.00 1.19 0.09 0.00 0.00 0.00 0.00 61.98 63.26 3k13 s VAL 522 Cb 0.00 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 3k13 s VAL 522 CO 0.00 -0.33 -0.17 -0.76 0.00 0.00 0.00 175.10 173.84 3k13 s LEU 523 N 3.10 2.75 0.36 3.92 1.43 -1.26 -4.57 118.68 124.40 3k13 s LEU 523 Ca 0.34 -0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 52.63 3k13 s LEU 523 Cb -0.14 -1.59 -0.12 0.00 0.03 0.00 0.00 46.19 44.38 3k13 s LEU 523 CO 0.14 0.18 1.42 0.00 0.23 0.00 0.00 176.35 178.32 3k13 n ALA 524 N 0.81 1.94 -2.40 4.21 0.00 -1.21 -4.48 120.51 119.39 3k13 n ALA 524 Ca -0.15 0.35 -0.27 0.00 0.00 0.00 0.00 53.44 53.37 3k13 n ALA 524 Cb 0.53 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 17.62 3k13 n ALA 524 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3k13 s VAL 525 N -1.02 1.56 -1.52 0.00 -7.23 -1.12 -4.76 120.40 106.31 3k13 s VAL 525 Ca 0.55 -1.48 -0.10 0.00 -1.81 0.00 0.00 61.98 59.13 3k13 s VAL 525 Cb -0.52 -2.05 0.07 0.00 0.56 0.00 0.00 36.38 34.45 3k13 s VAL 525 CO 0.62 0.00 0.78 0.00 -0.31 0.00 0.00 175.10 176.19 3k13 n ALA 526 N -1.81 -1.54 1.34 1.32 0.00 -1.26 -4.51 120.51 114.05 3k13 n ALA 526 Ca -0.02 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3k13 n ALA 526 Cb 0.64 -3.24 0.42 0.00 0.00 0.00 0.00 19.45 17.27 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 -4.49 0.04 -0.16 0.00 -2.24 -1.26 -4.81 114.28 101.36 3k13 n THR 527 Ca -0.07 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3k13 n THR 527 Cb 0.57 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.21 2.16 3.36 3.38 0.00 -1.26 -5.01 105.19 109.03 3k13 n GLY 528 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 3.86 0.43 -0.61 1.01 -1.26 -4.99 121.20 116.65 3k13 s ILE 529 Ca 0.00 -0.52 0.15 0.00 0.00 0.00 0.00 60.65 60.28 3k13 s ILE 529 Cb 0.00 -2.88 0.18 0.00 0.01 0.00 0.00 42.46 39.76 3k13 s ILE 529 CO 0.00 0.24 1.96 -0.08 0.00 0.00 0.00 174.94 177.06 3k13 h GLU 530 N 8.19 0.00 0.00 2.79 4.81 -2.01 -1.25 114.58 127.11 3k13 h GLU 530 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 3k13 h GLU 530 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3k13 h GLU 530 CO 0.59 0.22 0.00 0.39 -0.73 0.00 0.00 179.01 179.48 3k13 n GLU 531 N -4.20 0.09 0.00 1.92 4.71 -1.26 -1.94 120.64 119.97 3k13 n GLU 531 Ca -0.02 0.42 0.12 0.00 -0.01 0.00 0.00 57.16 57.67 3k13 n GLU 531 Cb 0.28 -1.71 0.22 0.00 -1.01 0.00 0.00 31.44 29.22 3k13 n GLU 531 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3k13 n HIS 532 N -1.90 0.00 0.25 -0.32 8.25 -0.47 -4.55 115.22 116.48 3k13 n HIS 532 Ca 0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.56 3k13 n HIS 532 Cb 0.14 -0.08 0.65 0.00 1.12 0.00 0.00 29.99 31.81 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 1.49 0.00 -0.65 0.41 2.35 -1.52 -2.30 115.58 115.37 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 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3k13 h ASN 533 CO 0.00 0.07 0.00 -3.20 -1.65 0.00 0.00 177.43 172.65 3k13 n ASN 534 N -4.28 3.48 0.01 5.81 5.15 -1.26 -4.56 115.26 119.62 3k13 n ASN 534 Ca -0.03 -2.00 0.00 0.00 -0.60 0.00 0.00 54.58 51.95 3k13 n ASN 534 Cb 0.15 -0.43 0.30 0.00 -0.53 0.00 0.00 39.78 39.27 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 3.82 0.51 -0.12 1.20 0.05 -1.73 0.12 116.97 120.82 3k13 h TYR 535 Ca 0.00 -0.05 -0.17 0.00 0.05 0.00 0.00 58.73 58.56 3k13 h TYR 535 Cb 0.87 -0.15 0.01 0.00 1.01 0.00 0.00 36.73 38.47 3k13 h TYR 535 CO 0.43 0.52 -0.59 0.00 -1.05 0.00 0.00 178.16 177.47 3k13 h ALA 536 N 1.51 0.23 -0.91 3.88 0.00 -1.82 -2.43 119.26 119.73 3k13 h ALA 536 Ca 0.10 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 3k13 h ALA 536 Cb 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3k13 h ALA 536 CO 0.01 0.48 0.56 0.28 0.00 0.00 0.00 179.25 180.58 3k13 h VAL 537 N 0.26 1.25 -0.56 0.00 2.07 -1.52 -0.84 116.25 116.90 3k13 h VAL 537 Ca -0.04 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3k13 h VAL 537 Cb 1.23 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3k13 h VAL 537 CO 0.12 0.26 0.35 0.44 0.02 0.00 0.00 177.57 178.76 3k13 h ASP 538 N 1.25 0.65 -0.25 0.57 3.32 -0.72 0.26 116.42 121.51 3k13 h ASP 538 Ca 0.33 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.38 3k13 h ASP 538 Cb -0.07 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 3k13 h ASP 538 CO -0.06 0.50 0.03 0.15 -1.72 0.00 0.00 179.24 178.13 3k13 h PHE 539 N 0.75 0.04 -0.65 4.55 3.04 -1.03 -1.10 116.94 122.54 3k13 h PHE 539 Ca 0.20 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.10 3k13 h PHE 539 Cb -0.05 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.45 3k13 h PHE 539 CO -0.03 -0.01 0.13 0.82 -2.02 0.00 0.00 178.31 177.20 3k13 h ILE 540 N 0.11 1.26 -0.31 1.41 2.04 -0.71 -0.79 117.51 120.53 3k13 h ILE 540 Ca 0.12 -0.98 -0.08 0.00 1.00 0.00 0.00 64.86 64.92 3k13 h ILE 540 Cb 0.13 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3k13 h ILE 540 CO -0.17 0.37 -0.13 -0.08 0.00 0.00 0.00 178.15 178.13 3k13 h GLU 541 N 0.99 0.63 -0.78 2.37 4.81 -0.83 -2.37 114.58 119.40 3k13 h GLU 541 Ca 0.20 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3k13 h GLU 541 Cb 0.39 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 3k13 h GLU 541 CO 0.01 0.85 0.51 0.00 -0.73 0.00 0.00 179.01 179.64 3k13 h ALA 542 N 0.77 0.99 -0.13 2.92 0.00 -0.94 -2.22 119.26 120.64 3k13 h ALA 542 Ca 0.07 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3k13 h ALA 542 Cb 0.65 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3k13 h ALA 542 CO 0.04 0.41 -0.22 1.15 0.00 0.00 0.00 179.25 180.63 3k13 h THR 543 N 1.06 0.45 -0.39 0.00 2.02 -1.05 0.82 112.91 115.82 3k13 h THR 543 Ca 0.28 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.55 3k13 h THR 543 Cb -0.11 0.45 -0.08 0.00 -1.74 0.00 0.00 68.15 66.67 3k13 h THR 543 CO -0.06 0.00 -0.19 1.23 0.37 0.00 0.00 175.52 176.87 3k13 h GLY 544 N -0.28 0.10 0.93 2.16 0.00 -1.28 -1.65 103.07 103.06 3k13 h GLY 544 Ca 0.10 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 3k13 h GLY 544 CO -0.30 -0.19 0.10 -0.25 0.00 0.00 0.00 176.54 175.90 3k13 h TRP 545 N -0.11 0.29 -0.24 5.60 7.01 -0.77 -2.07 115.95 125.66 3k13 h TRP 545 Ca 0.19 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.22 3k13 h TRP 545 Cb 0.41 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.34 3k13 h TRP 545 CO -0.42 0.28 -0.02 0.82 -2.79 0.00 0.00 178.44 176.31 3k13 h ILE 546 N 0.21 0.81 0.00 2.65 2.04 -0.62 -0.18 117.51 122.43 3k13 h ILE 546 Ca 0.07 -0.02 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 3k13 h ILE 546 Cb 0.10 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3k13 h ILE 546 CO -0.01 0.01 -0.25 0.03 0.00 0.00 0.00 178.15 177.93 3k13 h ARG 547 N 0.05 0.00 0.00 2.37 2.47 -1.19 0.35 114.38 118.42 3k13 h ARG 547 Ca 0.11 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.72 3k13 h ARG 547 Cb 0.15 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 3k13 h ARG 547 CO -0.20 0.25 -0.83 0.87 0.56 0.00 0.00 179.97 180.62 3k13 h LYS 548 N 0.00 0.00 0.00 0.04 1.57 -0.98 -3.42 116.57 113.78 3k13 h LYS 548 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3k13 h LYS 548 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 3k13 h LYS 548 CO 0.03 0.35 -1.11 0.09 -0.57 0.00 0.00 179.45 178.25 3k13 n ASN 549 N -3.05 4.49 -4.05 0.86 3.02 -0.11 -4.89 115.26 111.52 3k13 n ASN 549 Ca -0.02 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.18 3k13 n ASN 549 Cb 0.74 1.03 -0.11 0.00 -0.61 0.00 0.00 39.78 40.83 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 -3.29 4.99 0.10 3.41 1.43 0.07 -5.05 118.68 120.35 3k13 s LEU 550 Ca -0.01 -2.94 -0.33 0.00 -1.03 0.00 0.00 54.13 49.82 3k13 s LEU 550 Cb 0.01 -1.80 -0.12 0.00 0.03 0.00 0.00 46.19 44.31 3k13 s LEU 550 CO 0.09 -0.32 1.74 -2.65 0.23 0.00 0.00 176.35 175.44 3k13 n PRO 551 N 3.33 2.42 0.00 1.29 -0.02 -1.26 -2.61 135.00 138.15 3k13 n PRO 551 Ca 0.08 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3k13 n PRO 551 Cb 0.36 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 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 3.95 2.87 3.78 -1.23 0.00 -1.26 -4.75 105.19 108.55 3k13 n GLY 552 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.21 3.00 0.39 4.61 0.00 -1.07 -3.94 121.76 122.54 3k13 s ALA 553 Ca 0.00 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.82 3k13 s ALA 553 Cb 0.00 -3.33 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 3k13 s ALA 553 CO 0.00 -0.46 0.57 -1.01 0.00 0.00 0.00 175.76 174.85 3k13 s HIS 554 N -1.62 3.14 -0.06 0.00 3.76 -0.16 -4.85 115.29 115.51 3k13 s HIS 554 Ca 0.62 -0.03 0.02 0.00 -0.15 0.00 0.00 55.06 55.52 3k13 s HIS 554 Cb -0.25 -2.16 0.02 0.00 1.11 0.00 0.00 32.58 31.29 3k13 s HIS 554 CO 0.31 -0.20 -0.09 0.08 -0.85 0.00 0.00 174.74 173.99 3k13 s VAL 555 N -2.36 0.85 0.36 -0.90 1.01 -1.26 -1.15 120.40 116.95 3k13 s VAL 555 Ca 0.47 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.18 3k13 s VAL 555 Cb -0.10 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 3k13 s VAL 555 CO 0.34 0.29 0.14 -0.55 0.00 0.00 0.00 175.10 175.32 3k13 s SER 556 N 0.78 2.28 -0.04 3.32 0.15 -0.18 -2.22 113.70 117.78 3k13 s SER 556 Ca -0.13 -1.61 -0.30 0.00 0.70 0.00 0.00 55.95 54.62 3k13 s SER 556 Cb -0.15 0.40 0.11 0.00 -1.71 0.00 0.00 66.02 64.67 3k13 s SER 556 CO 0.02 -0.89 0.93 -0.83 1.20 0.00 0.00 173.24 173.67 3k13 s GLY 557 N -3.51 -0.42 -0.98 9.45 0.00 -1.26 -4.12 107.32 106.48 3k13 s GLY 557 Ca 0.30 1.22 -0.19 0.00 0.00 0.00 0.00 44.72 46.05 3k13 s GLY 557 CO 0.16 0.46 1.22 -0.32 0.00 0.00 0.00 173.10 174.63 3k13 s GLY 558 N -2.23 1.88 0.25 0.20 0.00 -1.26 -0.60 107.32 105.55 3k13 s GLY 558 Ca 0.04 -2.76 -0.05 0.00 0.00 0.00 0.00 44.72 41.95 3k13 s GLY 558 CO -0.07 2.13 1.89 -2.08 0.00 0.00 0.00 173.10 174.97 3k13 h VAL 559 N 5.84 1.15 0.00 1.40 2.07 -1.76 -2.60 116.25 122.35 3k13 h VAL 559 Ca 0.19 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3k13 h VAL 559 Cb 1.00 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3k13 h VAL 559 CO 1.18 0.22 -0.01 0.28 0.02 0.00 0.00 177.57 179.25 3k13 h SER 560 N 1.18 0.00 0.12 0.57 0.02 -1.91 -1.56 113.55 111.97 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 0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3k13 h SER 560 CO -0.13 0.01 -0.11 0.78 -1.14 0.00 0.00 176.83 176.25 3k13 h ASN 561 N 0.00 0.00 -0.93 3.07 4.21 -1.76 -3.07 115.58 117.10 3k13 h ASN 561 Ca -0.00 0.00 0.13 0.00 1.21 0.00 0.00 56.30 57.64 3k13 h ASN 561 Cb 0.32 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.44 3k13 h ASN 561 CO 0.00 0.11 0.59 0.25 -1.29 0.00 0.00 177.43 177.09 3k13 h LEU 562 N 0.00 0.77 -3.22 1.61 5.85 -1.45 -3.03 115.31 115.85 3k13 h LEU 562 Ca -0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3k13 h LEU 562 Cb 0.19 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3k13 h LEU 562 CO 0.01 0.40 0.00 -1.54 -0.34 0.00 0.00 178.44 176.98 3k13 n SER 563 N -4.58 4.62 -0.23 1.25 3.41 -1.16 -2.78 113.62 114.15 3k13 n SER 563 Ca 0.18 -2.60 0.16 0.00 -0.26 0.00 0.00 58.87 56.34 3k13 n SER 563 Cb 0.41 -0.56 0.46 0.00 -0.26 0.00 0.00 64.21 64.26 3k13 n SER 563 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3k13 h PHE 564 N 3.45 0.62 0.00 7.33 0.04 -1.64 0.25 116.94 126.99 3k13 h PHE 564 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3k13 h PHE 564 Cb 1.48 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.44 3k13 h PHE 564 CO 0.73 0.21 0.00 0.43 -0.60 0.00 0.00 178.31 179.08 3k13 n SER 565 N -4.52 0.33 -1.01 2.17 7.64 -1.26 -2.69 113.62 114.28 3k13 n SER 565 Ca 0.17 0.60 -0.01 0.00 1.01 0.00 0.00 58.87 60.65 3k13 n SER 565 Cb 0.57 -0.67 0.20 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.89 0.86 -1.63 1.43 3.72 0.08 -5.02 117.46 115.00 3k13 n PHE 566 Ca 0.02 -1.51 -0.46 0.00 -0.05 0.00 0.00 57.45 55.44 3k13 n PHE 566 Cb 0.14 -0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 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 -1.09 1.65 -0.26 -1.08 1.74 -1.09 -0.66 116.66 115.87 3k13 n ARG 567 Ca 0.29 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.96 3k13 n ARG 567 Cb 0.96 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 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 2.08 1.55 2.97 -0.13 0.00 -1.26 -4.96 105.19 105.43 3k13 n GLY 568 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.20 4.99 0.29 1.61 -0.87 0.16 -4.97 114.94 112.95 3k13 s ASN 569 Ca 0.00 -3.59 0.03 0.00 -1.57 0.00 0.00 52.86 47.73 3k13 s ASN 569 Cb 0.00 -1.71 0.45 0.00 -0.02 0.00 0.00 41.25 39.97 3k13 s ASN 569 CO 0.00 -0.15 1.75 0.78 -2.57 0.00 0.00 177.10 176.90 3k13 h ASN 570 N 5.86 0.47 -0.25 -1.22 2.35 -1.93 -1.64 115.58 119.22 3k13 h ASN 570 Ca 0.09 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3k13 h ASN 570 Cb 0.81 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 3k13 h ASN 570 CO 0.74 0.70 0.10 0.22 -1.65 0.00 0.00 177.43 177.53 3k13 h TYR 571 N 0.42 0.38 -0.74 1.19 3.20 -1.95 -1.69 116.97 117.78 3k13 h TYR 571 Ca 0.07 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3k13 h TYR 571 Cb 0.62 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 3k13 h TYR 571 CO 0.02 0.40 0.44 0.82 -1.64 0.00 0.00 178.16 178.20 3k13 h ILE 572 N 0.25 1.22 -0.15 1.81 1.08 -1.84 0.62 117.51 120.50 3k13 h ILE 572 Ca 0.08 -0.49 0.01 0.00 -0.39 0.00 0.00 64.86 64.07 3k13 h ILE 572 Cb 0.18 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 34.11 3k13 h ILE 572 CO -0.01 0.23 0.07 0.03 -0.69 0.00 0.00 178.15 177.79 3k13 h ARG 573 N 1.02 0.16 -0.47 2.37 3.08 -1.17 -2.97 114.38 116.41 3k13 h ARG 573 Ca 0.27 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 3k13 h ARG 573 Cb -0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3k13 h ARG 573 CO -0.05 0.10 -0.02 0.93 -1.07 0.00 0.00 179.97 179.86 3k13 h GLU 574 N 0.16 0.79 -1.03 0.04 5.08 -0.76 -0.62 114.58 118.25 3k13 h GLU 574 Ca 0.06 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3k13 h GLU 574 Cb 0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3k13 h GLU 574 CO -0.04 0.81 0.00 0.00 -1.00 0.00 0.00 179.01 178.79 3k13 n ALA 575 N -2.48 1.50 0.00 3.43 0.00 0.16 -1.29 120.51 121.84 3k13 n ALA 575 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3k13 n ALA 575 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.66 0.00 -0.22 0.00 -0.00 -0.24 -1.19 115.22 114.23 3k13 n HIS 577 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 3k13 n HIS 577 Cb 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.10 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 0.81 -0.37 -1.41 0.00 -1.46 -0.22 119.26 116.61 3k13 h ALA 578 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3k13 h ALA 578 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3k13 h ALA 578 CO 0.00 0.44 0.09 0.28 0.00 0.00 0.00 179.25 180.06 3k13 h VAL 579 N 0.87 1.22 -0.14 0.00 2.07 -1.42 -1.02 116.25 117.84 3k13 h VAL 579 Ca 0.20 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3k13 h VAL 579 Cb 0.23 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3k13 h VAL 579 CO -0.01 0.26 0.06 0.15 0.02 0.00 0.00 177.57 178.05 3k13 h PHE 580 N 0.45 0.20 -0.85 1.57 3.57 -1.75 -2.53 116.94 117.59 3k13 h PHE 580 Ca 0.12 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3k13 h PHE 580 Cb 0.30 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3k13 h PHE 580 CO 0.02 0.25 0.44 -0.07 -2.23 0.00 0.00 178.31 176.71 3k13 h LEU 581 N 0.09 1.09 -0.44 0.59 3.38 -1.01 0.15 115.31 119.16 3k13 h LEU 581 Ca 0.05 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3k13 h LEU 581 Cb 0.13 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3k13 h LEU 581 CO -0.01 0.90 0.12 0.22 0.09 0.00 0.00 178.44 179.77 3k13 h TYR 582 N 1.20 0.21 0.04 1.13 3.20 -0.92 0.75 116.97 122.58 3k13 h TYR 582 Ca 0.30 0.02 -0.26 0.00 3.14 0.00 0.00 58.73 61.93 3k13 h TYR 582 Cb 0.08 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.33 3k13 h TYR 582 CO 0.01 0.05 -1.07 0.45 -1.64 0.00 0.00 178.16 175.97 3k13 h HIS 583 N 0.27 0.81 -0.36 -3.82 3.86 -1.14 -3.13 115.15 111.65 3k13 h HIS 583 Ca 0.21 -0.47 -0.15 0.00 -1.16 0.00 0.00 60.37 58.80 3k13 h HIS 583 Cb 0.23 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 3k13 h HIS 583 CO -0.18 1.31 -0.38 0.00 0.86 0.00 0.00 177.93 179.53 3k13 h ALA 584 N 0.54 0.53 -0.70 2.45 0.00 -0.51 -3.04 119.26 118.52 3k13 h ALA 584 Ca -0.12 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.30 3k13 h ALA 584 Cb 1.72 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 3k13 h ALA 584 CO 0.20 0.62 0.29 0.82 0.00 0.00 0.00 179.25 181.18 3k13 h ILE 585 N 0.69 1.24 0.00 0.00 2.04 -0.95 -1.12 117.51 119.41 3k13 h ILE 585 Ca 0.05 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3k13 h ILE 585 Cb 0.97 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3k13 h ILE 585 CO 0.09 0.30 -0.07 1.56 0.00 0.00 0.00 178.15 180.03 3k13 h GLN 586 N 1.01 0.00 -0.01 2.37 4.20 -1.47 -0.66 115.11 120.55 3k13 h GLN 586 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3k13 h GLN 586 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3k13 h GLN 586 CO -0.02 0.07 -0.09 1.04 -0.67 0.00 0.00 178.83 179.16 3k13 n GLN 587 N -3.89 1.37 0.00 1.46 1.13 -0.45 -5.09 117.38 111.91 3k13 n GLN 587 Ca -0.02 -0.79 0.00 0.00 -1.94 0.00 0.00 57.00 54.25 3k13 n GLN 587 Cb 0.16 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.03 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 1.23 2.00 0.60 1.08 0.00 -0.26 -3.61 105.19 106.22 3k13 n GLY 588 Ca 0.17 -1.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.09 0.00 1.61 5.75 -0.94 -4.68 116.55 118.20 3k13 n ASP 590 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 54.79 54.55 3k13 n ASP 590 Cb 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 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 -0.01 1.37 3.62 6.12 0.00 -0.81 -0.92 105.19 114.56 3k13 n GLY 592 Ca -0.03 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.64 4.71 0.08 -0.61 1.01 0.23 -0.67 121.20 124.32 3k13 s ILE 593 Ca 0.00 1.30 -0.02 0.00 0.00 0.00 0.00 60.65 61.94 3k13 s ILE 593 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3k13 s ILE 593 CO 0.00 -0.33 0.02 0.68 0.00 0.00 0.00 174.94 175.31 3k13 s VAL 594 N 3.16 0.17 -0.64 2.92 -7.23 0.06 -1.93 120.40 116.91 3k13 s VAL 594 Ca 0.36 -1.80 -0.27 0.00 -1.81 0.00 0.00 61.98 58.46 3k13 s VAL 594 Cb -0.13 -1.71 0.04 0.00 0.56 0.00 0.00 36.38 35.13 3k13 s VAL 594 CO 0.14 -0.77 1.16 0.21 -0.31 0.00 0.00 175.10 175.52 3k13 s ASN 595 N -2.96 6.30 0.12 4.85 3.84 -1.26 -1.05 114.94 124.77 3k13 s ASN 595 Ca 0.13 -0.28 0.19 0.00 0.21 0.00 0.00 52.86 53.12 3k13 s ASN 595 Cb 0.08 -2.52 0.81 0.00 -0.55 0.00 0.00 41.25 39.06 3k13 s ASN 595 CO -0.06 -1.56 1.60 -0.81 -2.79 0.00 0.00 177.10 173.48 3k13 n PRO 596 N 8.54 0.09 -2.67 0.43 -0.04 -1.26 -4.74 135.00 135.35 3k13 n PRO 596 Ca 0.04 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.40 3k13 n PRO 596 Cb 0.48 -1.67 0.01 0.00 -0.04 0.00 0.00 33.50 32.29 3k13 n PRO 596 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k13 n GLY 597 N 0.10 5.66 0.00 0.55 0.00 -1.26 -4.87 105.19 105.37 3k13 n GLY 597 Ca 0.03 -2.53 0.00 0.00 0.00 0.00 0.00 46.02 43.52 3k13 n GLY 597 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k13 n SER 599 N 0.80 0.00 -4.69 1.61 3.41 -1.26 -5.20 113.62 108.28 3k13 n SER 599 Ca 0.41 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.62 3k13 n SER 599 Cb 0.29 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.00 5.00 0.01 -3.33 1.01 -1.26 -5.09 120.40 116.73 3k13 s VAL 600 Ca 0.00 1.46 -0.15 0.00 0.00 0.00 0.00 61.98 63.29 3k13 s VAL 600 Cb 0.00 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 3k13 s VAL 600 CO 0.00 0.17 0.43 -0.76 0.00 0.00 0.00 175.10 174.93 3k13 s LEU 601 N 1.34 4.48 0.25 3.92 1.43 -1.26 -4.75 118.68 124.09 3k13 s LEU 601 Ca 0.36 1.00 -0.05 0.00 -1.03 0.00 0.00 54.13 54.41 3k13 s LEU 601 Cb -0.17 -2.63 0.48 0.00 0.03 0.00 0.00 46.19 43.90 3k13 s LEU 601 CO 0.15 0.32 1.67 0.22 0.23 0.00 0.00 176.35 178.95 3k13 h TYR 602 N 4.67 0.22 0.00 0.29 3.20 -1.95 -0.52 116.97 122.88 3k13 h TYR 602 Ca -0.51 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3k13 h TYR 602 Cb 1.22 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.51 3k13 h TYR 602 CO 0.71 -0.12 0.00 -1.13 -1.64 0.00 0.00 178.16 175.97 3k13 n SER 603 N -5.20 0.72 -0.01 -2.11 3.41 -1.26 -2.81 113.62 106.36 3k13 n SER 603 Ca 0.15 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.52 3k13 n SER 603 Cb 0.48 -0.81 0.29 0.00 -0.26 0.00 0.00 64.21 63.92 3k13 n SER 603 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3k13 n ASP 604 N -2.25 0.48 -4.66 4.04 8.00 -0.21 -4.89 116.55 117.05 3k13 n ASP 604 Ca 0.03 -0.22 -0.43 0.00 0.71 0.00 0.00 54.79 54.89 3k13 n ASP 604 Cb 0.29 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.55 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 -2.97 3.87 0.49 0.53 1.01 -1.12 -4.97 121.20 118.03 3k13 s ILE 605 Ca 0.12 1.06 -0.23 0.00 0.00 0.00 0.00 60.65 61.60 3k13 s ILE 605 Cb 0.18 -3.69 -0.08 0.00 0.01 0.00 0.00 42.46 38.88 3k13 s ILE 605 CO 0.68 -0.09 1.17 -2.65 0.00 0.00 0.00 174.94 174.05 3k13 n PRO 606 N 6.80 1.54 -0.19 2.79 -0.02 -1.26 -4.63 135.00 140.04 3k13 n PRO 606 Ca 0.16 0.56 -0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3k13 n PRO 606 Cb 0.44 -2.31 0.08 0.00 -0.02 0.00 0.00 33.50 31.69 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 1.50 0.52 -0.02 3.55 0.00 -1.98 0.10 119.26 122.94 3k13 h ALA 607 Ca -0.48 0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 3k13 h ALA 607 Cb 1.32 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 3k13 h ALA 607 CO 0.57 -0.40 -0.58 -0.44 0.00 0.00 0.00 179.25 178.39 3k13 h ASP 608 N 0.09 0.07 -0.43 0.00 3.32 -2.00 -1.55 116.42 115.92 3k13 h ASP 608 Ca 0.29 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 3k13 h ASP 608 Cb 0.46 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3k13 h ASP 608 CO -0.51 0.64 -0.10 0.74 -1.72 0.00 0.00 179.24 178.29 3k13 h THR 609 N 0.05 1.27 -0.75 0.35 2.02 -1.64 -2.74 112.91 111.47 3k13 h THR 609 Ca -0.01 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 65.99 3k13 h THR 609 Cb 1.05 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 3k13 h THR 609 CO 0.08 0.41 0.49 0.25 0.37 0.00 0.00 175.52 177.12 3k13 h LEU 610 N 0.65 0.86 -0.54 2.58 5.85 -0.63 -1.28 115.31 122.79 3k13 h LEU 610 Ca 0.11 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3k13 h LEU 610 Cb 0.63 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3k13 h LEU 610 CO 0.04 0.63 0.35 -0.08 -0.34 0.00 0.00 178.44 179.04 3k13 h GLU 611 N 1.01 0.72 -0.72 1.25 4.81 -1.18 0.25 114.58 120.72 3k13 h GLU 611 Ca 0.27 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 3k13 h GLU 611 Cb -0.11 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.08 3k13 h GLU 611 CO -0.06 0.49 0.20 0.87 -0.73 0.00 0.00 179.01 179.78 3k13 h LYS 612 N 0.73 1.14 -0.12 1.92 1.57 -1.16 0.11 116.57 120.76 3k13 h LYS 612 Ca 0.20 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3k13 h LYS 612 Cb -0.07 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 3k13 h LYS 612 CO -0.04 0.99 -0.08 0.82 -0.57 0.00 0.00 179.45 180.57 3k13 h ILE 613 N 1.08 1.33 -0.15 1.86 1.08 -0.85 -2.91 117.51 118.96 3k13 h ILE 613 Ca 0.23 -1.16 -0.09 0.00 -0.39 0.00 0.00 64.86 63.46 3k13 h ILE 613 Cb 0.34 1.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.93 3k13 h ILE 613 CO -0.00 0.33 -0.30 -0.33 -0.69 0.00 0.00 178.15 177.16 3k13 h GLU 614 N -0.11 0.29 -0.95 2.37 5.08 -0.47 -0.52 114.58 120.27 3k13 h GLU 614 Ca 0.02 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3k13 h GLU 614 Cb 0.56 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 3k13 h GLU 614 CO 0.02 0.56 0.62 -0.44 -1.00 0.00 0.00 179.01 178.78 3k13 h ASP 615 N 0.26 1.01 0.00 1.42 3.32 -0.71 0.11 116.42 121.83 3k13 h ASP 615 Ca 0.04 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3k13 h ASP 615 Cb 0.66 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3k13 h ASP 615 CO 0.05 0.67 -0.00 0.58 -1.72 0.00 0.00 179.24 178.81 3k13 h VAL 616 N 1.15 1.62 -0.44 -1.35 2.07 -1.21 -0.26 116.25 117.83 3k13 h VAL 616 Ca 0.39 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 3k13 h VAL 616 Cb 0.09 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 3k13 h VAL 616 CO -0.14 0.49 0.19 0.58 0.02 0.00 0.00 177.57 178.71 3k13 h VAL 617 N -0.82 1.19 -0.14 2.57 2.07 -0.99 -2.54 116.25 117.58 3k13 h VAL 617 Ca -0.00 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3k13 h VAL 617 Cb 0.80 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3k13 h VAL 617 CO 0.00 0.22 0.00 0.18 0.02 0.00 0.00 177.57 177.99 3k13 n LEU 618 N -4.63 1.83 -3.62 2.57 4.32 0.38 -3.90 117.00 113.95 3k13 n LEU 618 Ca 0.01 -0.73 -0.24 0.00 -0.02 0.00 0.00 56.01 55.03 3k13 n LEU 618 Cb 0.13 -0.09 0.04 0.00 -1.62 0.00 0.00 43.42 41.89 3k13 n LEU 618 CO 0.37 0.36 -0.06 -3.20 -1.22 0.00 0.00 177.39 173.64 3k13 n ASN 619 N 0.43 -3.77 0.03 -1.43 5.15 -0.58 -4.91 115.26 110.17 3k13 n ASN 619 Ca 0.17 -0.89 0.11 0.00 -0.60 0.00 0.00 54.58 53.38 3k13 n ASN 619 Cb 0.37 -3.96 0.01 0.00 -0.53 0.00 0.00 39.78 35.67 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 -4.05 0.34 -3.67 1.20 1.74 -0.21 -4.89 116.66 107.11 3k13 n ARG 620 Ca -0.18 -0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.75 3k13 n ARG 620 Cb 0.63 -1.61 -0.08 0.00 -1.02 0.00 0.00 32.46 30.38 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 -3.23 0.79 0.43 5.56 1.70 -1.26 -5.06 118.95 117.88 3k13 s ARG 621 Ca 0.03 0.12 0.29 0.00 -0.47 0.00 0.00 55.73 55.69 3k13 s ARG 621 Cb 0.14 0.36 1.05 0.00 -0.57 0.00 0.00 34.95 35.94 3k13 s ARG 621 CO 0.80 -0.21 1.84 -1.00 -1.08 0.00 0.00 175.30 175.65 3k13 h PRO 622 N 3.83 0.00 -0.64 3.89 0.13 -1.95 -2.21 132.00 135.04 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 0.36 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.73 3k13 n ASP 623 N -2.82 4.08 -0.20 1.44 5.75 -1.26 -4.59 116.55 118.96 3k13 n ASP 623 Ca 0.02 -2.32 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 3k13 n ASP 623 Cb 0.34 -0.52 0.11 0.00 -1.03 0.00 0.00 41.12 40.02 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 3.99 0.76 -0.20 2.12 0.00 -1.72 -2.35 119.26 121.85 3k13 h ALA 624 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3k13 h ALA 624 Cb 1.23 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3k13 h ALA 624 CO 0.17 -0.24 0.11 0.00 0.00 0.00 0.00 179.25 179.29 3k13 h ALA 625 N 1.44 0.26 -0.57 0.00 0.00 -1.84 -1.32 119.26 117.24 3k13 h ALA 625 Ca 0.31 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3k13 h ALA 625 Cb 0.42 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3k13 h ALA 625 CO -0.35 -0.20 0.28 1.49 0.00 0.00 0.00 179.25 180.48 3k13 h GLU 626 N 0.22 0.52 -0.47 0.00 4.81 -1.83 0.11 114.58 117.94 3k13 h GLU 626 Ca 0.07 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3k13 h GLU 626 Cb 0.08 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3k13 h GLU 626 CO -0.01 0.35 -0.05 0.00 -0.73 0.00 0.00 179.01 178.57 3k13 h ARG 627 N 0.54 0.81 -0.12 1.92 3.08 -1.15 -1.35 114.38 118.10 3k13 h ARG 627 Ca 0.26 -0.24 -0.19 0.00 0.07 0.00 0.00 59.98 59.87 3k13 h ARG 627 Cb 0.18 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3k13 h ARG 627 CO -0.18 0.85 -0.72 1.25 -1.07 0.00 0.00 179.97 180.10 3k13 h LEU 628 N 0.75 0.67 -0.94 3.04 5.85 -0.64 -2.57 115.31 121.46 3k13 h LEU 628 Ca 0.14 -0.43 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 3k13 h LEU 628 Cb 0.52 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3k13 h LEU 628 CO 0.03 1.19 0.17 0.40 -0.34 0.00 0.00 178.44 179.88 3k13 h ILE 629 N 0.40 1.24 -0.62 4.05 2.04 -0.62 0.25 117.51 124.25 3k13 h ILE 629 Ca -0.03 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3k13 h ILE 629 Cb 1.31 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 3k13 h ILE 629 CO 0.13 0.32 0.35 -0.08 0.00 0.00 0.00 178.15 178.88 3k13 h GLU 630 N 0.91 0.85 -0.21 2.37 4.81 -1.08 -0.56 114.58 121.66 3k13 h GLU 630 Ca 0.20 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3k13 h GLU 630 Cb 0.29 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3k13 h GLU 630 CO -0.00 0.63 0.10 1.25 -0.73 0.00 0.00 179.01 180.26 3k13 h LEU 631 N 0.84 0.28 -0.62 1.64 5.85 -0.99 -1.59 115.31 120.71 3k13 h LEU 631 Ca 0.22 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.92 3k13 h LEU 631 Cb 0.02 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 3k13 h LEU 631 CO -0.04 0.32 0.18 0.00 -0.34 0.00 0.00 178.44 178.57 3k13 h ALA 632 N 0.96 0.78 -0.59 1.25 0.00 -0.72 -1.21 119.26 119.74 3k13 h ALA 632 Ca 0.07 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3k13 h ALA 632 Cb 0.12 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3k13 h ALA 632 CO -0.01 -0.26 0.30 1.49 0.00 0.00 0.00 179.25 180.78 3k13 h GLU 633 N 0.33 0.84 -0.68 0.00 4.57 -0.93 -0.60 114.58 118.11 3k13 h GLU 633 Ca 0.33 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.36 3k13 h GLU 633 Cb 0.46 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3k13 h GLU 633 CO -0.37 0.66 0.27 0.00 -1.18 0.00 0.00 179.01 178.39 3k13 h ALA 634 N 1.13 1.20 -0.05 2.92 0.00 -0.39 -3.03 119.26 121.04 3k13 h ALA 634 Ca 0.21 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3k13 h ALA 634 Cb 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3k13 h ALA 634 CO -0.03 0.58 -0.82 -0.07 0.00 0.00 0.00 179.25 178.91 3k13 h LEU 635 N 0.98 0.54 0.07 0.00 3.38 -1.05 -3.36 115.31 115.86 3k13 h LEU 635 Ca 0.23 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3k13 h LEU 635 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3k13 h LEU 635 CO -0.02 1.15 -0.03 0.11 0.09 0.00 0.00 178.44 179.74 3k13 h LYS 636 N 0.28 -0.09 0.00 1.13 1.57 -0.98 -3.51 116.57 114.96 3k13 h LYS 636 Ca -0.05 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3k13 h LYS 636 Cb 1.43 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3k13 h LYS 636 CO 0.14 -0.05 0.00 -0.85 -0.57 0.00 0.00 179.45 178.13