#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 0.34 0.00 -3.67 3.07 -2.05 -3.05 117.51 112.15 3k13 h ILE 351 Ca 0.00 -0.97 -0.12 0.00 1.55 0.00 0.00 64.86 65.32 3k13 h ILE 351 Cb 0.00 1.74 -0.02 0.00 -0.27 0.00 0.00 36.82 38.28 3k13 h ILE 351 CO 0.00 0.14 -0.68 0.78 -1.05 0.00 0.00 178.15 177.34 3k13 h ASN 352 N 0.00 0.00 -2.95 2.16 2.35 -2.04 -3.47 115.58 111.62 3k13 h ASN 352 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3k13 h ASN 352 Cb 0.73 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.13 3k13 h ASN 352 CO 0.02 0.51 0.77 0.12 -1.65 0.00 0.00 177.43 177.21 3k13 s PHE 353 N -2.96 3.13 -0.37 1.19 5.36 -1.16 -4.99 117.98 118.18 3k13 s PHE 353 Ca 0.03 0.85 -0.16 0.00 -0.96 0.00 0.00 56.93 56.69 3k13 s PHE 353 Cb 0.08 -3.73 0.00 0.00 -0.34 0.00 0.00 43.02 39.03 3k13 s PHE 353 CO 0.76 -2.62 0.37 0.08 -1.46 0.00 0.00 175.22 172.35 3k13 s VAL 354 N 1.35 5.16 -0.14 3.12 1.01 -0.20 -4.96 120.40 125.73 3k13 s VAL 354 Ca 0.66 -0.16 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 3k13 s VAL 354 Cb -0.37 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3k13 s VAL 354 CO 0.30 -0.21 0.92 0.20 0.00 0.00 0.00 175.10 176.31 3k13 s ASN 355 N 1.75 7.09 -0.31 3.32 0.01 -1.26 -2.14 114.94 123.40 3k13 s ASN 355 Ca 0.11 1.35 -0.11 0.00 -0.71 0.00 0.00 52.86 53.50 3k13 s ASN 355 Cb -0.17 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 38.97 3k13 s ASN 355 CO 0.12 -0.43 0.19 -0.63 -1.51 0.00 0.00 177.10 174.84 3k13 s ILE 356 N 2.11 4.93 0.14 0.60 1.01 0.63 -0.85 121.20 129.77 3k13 s ILE 356 Ca 0.43 -0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.51 3k13 s ILE 356 Cb -0.17 -3.49 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 3k13 s ILE 356 CO 0.15 0.08 1.60 -0.83 0.00 0.00 0.00 174.94 175.93 3k13 s GLY 357 N 1.67 1.55 0.03 6.18 0.00 -0.32 -0.76 107.32 115.67 3k13 s GLY 357 Ca 0.06 1.34 0.23 0.00 0.00 0.00 0.00 44.72 46.35 3k13 s GLY 357 CO 0.08 2.70 1.06 -1.84 0.00 0.00 0.00 173.10 175.11 3k13 n GLU 358 N 4.36 0.20 0.23 2.90 0.28 -0.42 -1.46 120.64 126.73 3k13 n GLU 358 Ca 0.14 -0.01 0.12 0.00 -0.16 0.00 0.00 57.16 57.26 3k13 n GLU 358 Cb 0.39 -1.56 0.26 0.00 1.43 0.00 0.00 31.44 31.95 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 -3.10 3.44 3.08 -1.83 -3.33 114.38 112.64 3k13 h ARG 359 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 3k13 h ARG 359 Cb 0.66 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.72 3k13 h ARG 359 CO 0.00 0.03 3.67 0.00 -1.07 0.00 0.00 179.97 182.60 3k13 s ASN 361 N 2.16 1.85 0.55 0.00 3.84 -1.25 -0.70 114.94 121.39 3k13 s ASN 361 Ca 0.66 -0.36 0.33 0.00 0.21 0.00 0.00 52.86 53.70 3k13 s ASN 361 Cb 0.17 -0.07 1.49 0.00 -0.55 0.00 0.00 41.25 42.29 3k13 s ASN 361 CO -0.07 -0.32 2.04 -0.37 -2.79 0.00 0.00 177.10 175.59 3k13 h VAL 362 N 6.40 0.19 0.00 -5.21 -1.51 -1.24 0.19 116.25 115.08 3k13 h VAL 362 Ca -0.15 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 3k13 h VAL 362 Cb 1.14 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 3k13 h VAL 362 CO 0.25 0.06 -0.97 0.00 -1.23 0.00 0.00 177.57 175.68 3k13 n ALA 363 N -2.15 2.83 0.73 5.19 0.00 -1.26 -4.23 120.51 121.63 3k13 n ALA 363 Ca -0.01 -0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.22 3k13 n ALA 363 Cb 0.28 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.58 3k13 n ALA 363 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k13 n GLY 364 N 1.27 -0.39 2.70 0.00 0.00 -0.62 -4.90 105.19 103.25 3k13 n GLY 364 Ca 0.01 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.37 1.51 0.27 1.61 0.15 -0.04 -4.99 113.70 109.85 3k13 s SER 365 Ca 0.07 -0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 3k13 s SER 365 Cb 0.12 0.00 0.36 0.00 -1.71 0.00 0.00 66.02 64.80 3k13 s SER 365 CO 0.60 -0.30 1.90 0.03 1.20 0.00 0.00 173.24 176.67 3k13 h ARG 366 N 8.40 1.07 -0.06 5.44 3.08 -1.86 -1.77 114.38 128.67 3k13 h ARG 366 Ca -0.14 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 3k13 h ARG 366 Cb 1.14 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 3k13 h ARG 366 CO 0.22 0.79 0.03 -0.22 -1.07 0.00 0.00 179.97 179.72 3k13 h LYS 367 N 1.08 0.09 -0.41 0.04 3.64 -1.95 -1.97 116.57 117.09 3k13 h LYS 367 Ca 0.27 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 3k13 h LYS 367 Cb 0.03 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3k13 h LYS 367 CO -0.04 0.17 0.26 0.35 -2.27 0.00 0.00 179.45 177.92 3k13 h PHE 368 N -0.01 0.53 -0.70 1.91 3.57 -1.77 -0.22 116.94 120.25 3k13 h PHE 368 Ca 0.02 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.64 3k13 h PHE 368 Cb 0.11 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 38.59 3k13 h PHE 368 CO -0.04 0.35 0.31 1.25 -2.23 0.00 0.00 178.31 177.95 3k13 h LEU 369 N 0.55 0.35 -0.48 0.59 5.85 -1.24 -1.03 115.31 119.91 3k13 h LEU 369 Ca 0.15 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 3k13 h LEU 369 Cb -0.04 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3k13 h LEU 369 CO -0.03 0.19 0.01 -0.09 -0.34 0.00 0.00 178.44 178.18 3k13 h ARG 370 N 0.51 0.84 -0.46 1.25 2.43 -0.47 -1.38 114.38 117.09 3k13 h ARG 370 Ca 0.36 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3k13 h ARG 370 Cb 0.44 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3k13 h ARG 370 CO -0.31 0.88 0.23 -0.07 -1.51 0.00 0.00 179.97 179.19 3k13 h LEU 371 N 0.69 0.60 0.15 3.80 3.38 -0.37 0.33 115.31 123.89 3k13 h LEU 371 Ca 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3k13 h LEU 371 Cb 0.49 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3k13 h LEU 371 CO 0.02 0.55 -0.07 0.58 0.09 0.00 0.00 178.44 179.61 3k13 h VAL 372 N 0.61 0.92 -0.54 1.22 2.07 -1.15 0.51 116.25 119.90 3k13 h VAL 372 Ca 0.16 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3k13 h VAL 372 Cb 0.10 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3k13 h VAL 372 CO -0.02 0.08 0.36 -1.13 0.02 0.00 0.00 177.57 176.87 3k13 h ASN 373 N -0.36 0.50 -0.15 0.57 -1.24 -1.02 0.20 115.58 114.08 3k13 h ASN 373 Ca -0.02 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 3k13 h ASN 373 Cb 0.29 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.22 3k13 h ASN 373 CO 0.03 0.34 0.00 -0.62 -1.29 0.00 0.00 177.43 175.90 3k13 n GLU 374 N -4.47 1.58 -3.07 6.67 1.02 0.08 -4.92 120.64 117.53 3k13 n GLU 374 Ca 0.06 -0.88 -0.22 0.00 -0.02 0.00 0.00 57.16 56.10 3k13 n GLU 374 Cb 0.17 -1.35 0.03 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.12 -4.48 -2.42 3.49 5.02 0.70 -4.88 118.16 115.71 3k13 n LYS 375 Ca 0.15 0.81 -0.42 0.00 -2.02 0.00 0.00 58.31 56.83 3k13 n LYS 375 Cb 0.27 -5.64 0.01 0.00 -0.02 0.00 0.00 35.03 29.64 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 -3.93 4.39 0.20 1.97 5.02 0.07 -4.79 118.16 121.09 3k13 n LYS 376 Ca -0.10 -3.91 0.04 0.00 -2.02 0.00 0.00 58.31 52.32 3k13 n LYS 376 Cb 0.61 -2.68 0.41 0.00 -0.02 0.00 0.00 35.03 33.35 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 5.09 0.00 -0.22 2.13 0.05 -1.90 -1.56 116.97 120.56 3k13 h TYR 377 Ca 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.25 3k13 h TYR 377 Cb 0.48 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 3k13 h TYR 377 CO 1.32 0.32 0.13 0.38 -1.05 0.00 0.00 178.16 179.27 3k13 h ASP 378 N 0.00 0.27 -0.40 3.88 2.03 -1.97 0.99 116.42 121.22 3k13 h ASP 378 Ca -0.00 -0.06 -0.08 0.00 -0.73 0.00 0.00 57.03 56.15 3k13 h ASP 378 Cb 0.60 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 39.01 3k13 h ASP 378 CO 0.04 0.26 -0.04 -0.33 -1.03 0.00 0.00 179.24 178.13 3k13 h GLU 379 N 0.27 0.82 -0.68 4.15 5.08 -1.85 -1.29 114.58 121.08 3k13 h GLU 379 Ca 0.08 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 3k13 h GLU 379 Cb 0.04 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3k13 h GLU 379 CO -0.01 0.86 0.14 0.00 -1.00 0.00 0.00 179.01 178.99 3k13 h ALA 380 N 1.19 0.97 -0.30 3.43 0.00 -1.08 -2.46 119.26 121.01 3k13 h ALA 380 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3k13 h ALA 380 Cb 0.52 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3k13 h ALA 380 CO 0.03 0.66 0.04 1.25 0.00 0.00 0.00 179.25 181.23 3k13 h LEU 381 N 1.03 0.40 -1.70 0.00 5.85 -0.30 -2.41 115.31 118.18 3k13 h LEU 381 Ca 0.21 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3k13 h LEU 381 Cb 0.39 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3k13 h LEU 381 CO 0.01 0.44 0.02 0.28 -0.34 0.00 0.00 178.44 178.84 3k13 h SER 382 N 0.43 0.19 -0.46 1.25 0.02 -0.77 -0.55 113.55 113.67 3k13 h SER 382 Ca 0.10 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3k13 h SER 382 Cb 0.22 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3k13 h SER 382 CO 0.00 0.21 0.04 0.40 -1.14 0.00 0.00 176.83 176.34 3k13 h ILE 383 N 0.21 1.25 -0.10 3.27 2.04 -1.31 0.19 117.51 123.07 3k13 h ILE 383 Ca 0.05 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.94 3k13 h ILE 383 Cb 0.11 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3k13 h ILE 383 CO -0.00 0.34 0.05 0.00 0.00 0.00 0.00 178.15 178.54 3k13 h ALA 384 N 0.93 0.12 -0.27 1.87 0.00 -1.33 -2.56 119.26 118.02 3k13 h ALA 384 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3k13 h ALA 384 Cb 0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3k13 h ALA 384 CO 0.02 -0.40 0.14 -0.09 0.00 0.00 0.00 179.25 178.91 3k13 h ARG 385 N 0.11 0.29 -0.76 0.00 2.43 -0.88 -2.12 114.38 113.45 3k13 h ARG 385 Ca 0.04 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3k13 h ARG 385 Cb 0.00 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3k13 h ARG 385 CO -0.02 0.19 0.50 0.37 -1.51 0.00 0.00 179.97 179.50 3k13 h GLN 386 N 0.29 0.97 -0.65 0.20 5.75 -0.98 -0.51 115.11 120.18 3k13 h GLN 386 Ca 0.11 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 3k13 h GLN 386 Cb 0.02 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3k13 h GLN 386 CO -0.07 0.64 0.24 1.96 -2.65 0.00 0.00 178.83 178.95 3k13 h GLN 387 N 1.00 0.99 -0.70 1.69 4.20 -0.99 0.15 115.11 121.45 3k13 h GLN 387 Ca 0.29 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 3k13 h GLN 387 Cb -0.07 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.53 3k13 h GLN 387 CO -0.07 0.84 0.25 0.28 -0.67 0.00 0.00 178.83 179.46 3k13 h VAL 388 N 0.93 1.25 -0.37 -0.54 2.07 -0.71 -0.97 116.25 117.90 3k13 h VAL 388 Ca 0.21 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 3k13 h VAL 388 Cb 0.24 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3k13 h VAL 388 CO -0.01 0.32 -0.04 -0.33 0.02 0.00 0.00 177.57 177.53 3k13 h GLU 389 N 1.02 0.60 0.00 1.57 5.08 -0.68 -1.98 114.58 120.19 3k13 h GLU 389 Ca 0.23 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3k13 h GLU 389 Cb 0.25 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3k13 h GLU 389 CO -0.01 0.65 0.00 -0.25 -1.00 0.00 0.00 179.01 178.40 3k13 n ASP 390 N -4.23 0.00 0.00 1.42 8.00 0.00 -4.88 116.55 116.86 3k13 n ASP 390 Ca 0.01 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.16 3k13 n ASP 390 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 0.73 0.75 3.74 0.44 0.00 -0.74 -4.81 105.19 105.29 3k13 n GLY 391 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3k13 n GLY 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k13 s ALA 392 N -2.00 3.77 -1.75 4.61 0.00 -0.41 -4.67 121.76 121.31 3k13 s ALA 392 Ca 0.00 1.51 0.16 0.00 0.00 0.00 0.00 51.96 53.62 3k13 s ALA 392 Cb 0.00 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 19.55 3k13 s ALA 392 CO 0.00 -0.90 0.93 1.28 0.00 0.00 0.00 175.76 177.07 3k13 n LEU 393 N 2.76 2.00 -3.83 0.00 4.77 -0.03 -4.50 117.00 118.16 3k13 n LEU 393 Ca 0.10 -0.89 -0.12 0.00 -0.03 0.00 0.00 56.01 55.07 3k13 n LEU 393 Cb 0.38 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 3k13 n LEU 393 CO 0.63 0.37 -0.16 -0.69 -1.33 0.00 0.00 177.39 176.20 3k13 s VAL 394 N -1.57 0.04 -0.25 4.08 1.01 -1.21 -3.95 120.40 118.55 3k13 s VAL 394 Ca 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3k13 s VAL 394 Cb 0.13 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 36.18 3k13 s VAL 394 CO 0.29 -0.16 -0.03 -0.63 0.00 0.00 0.00 175.10 174.56 3k13 s ILE 395 N -0.55 3.19 0.01 2.22 -1.09 -0.49 -1.17 121.20 123.32 3k13 s ILE 395 Ca -0.06 -0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 57.26 3k13 s ILE 395 Cb -0.04 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.24 3k13 s ILE 395 CO 0.01 0.26 1.00 -0.62 -1.23 0.00 0.00 174.94 174.36 3k13 s ASP 396 N 1.40 7.34 -0.14 3.58 2.15 -0.53 -4.45 116.67 126.02 3k13 s ASP 396 Ca 0.03 1.70 0.02 0.00 0.43 0.00 0.00 52.55 54.72 3k13 s ASP 396 Cb -0.16 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.91 3k13 s ASP 396 CO -0.03 -0.28 -0.18 -0.69 -0.17 0.00 0.00 175.17 173.82 3k13 s VAL 397 N 0.99 1.82 0.24 1.11 1.01 -1.26 -3.86 120.40 120.46 3k13 s VAL 397 Ca 0.53 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3k13 s VAL 397 Cb -0.22 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 3k13 s VAL 397 CO 0.28 0.50 0.05 0.21 0.00 0.00 0.00 175.10 176.15 3k13 s ASN 398 N 1.07 1.47 0.00 3.32 3.84 0.13 -0.98 114.94 123.79 3k13 s ASN 398 Ca -0.03 -1.31 0.00 0.00 0.21 0.00 0.00 52.86 51.74 3k13 s ASN 398 Cb -0.14 0.09 0.00 0.00 -0.55 0.00 0.00 41.25 40.65 3k13 s ASN 398 CO -0.05 -0.64 0.00 0.47 -2.79 0.00 0.00 177.10 174.09 3k13 n ASP 400 N -0.44 -0.75 -3.67 -4.21 8.00 -1.26 -0.84 116.55 113.39 3k13 n ASP 400 Ca -0.03 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.33 3k13 n ASP 400 Cb 0.65 -0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.47 0.60 -2.24 2.15 -1.26 -4.49 116.67 110.95 3k13 s ASP 401 Ca 0.00 0.68 0.31 0.00 0.43 0.00 0.00 52.55 53.97 3k13 s ASP 401 Cb 0.00 0.71 1.84 0.00 -0.30 0.00 0.00 42.92 45.17 3k13 s ASP 401 CO 0.00 -0.38 2.24 1.23 -0.17 0.00 0.00 175.17 178.10 3k13 h GLY 402 N 4.26 0.00 2.00 2.66 0.00 -2.05 -1.36 103.07 108.59 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 0.30 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.88 3k13 n LEU 403 N -3.79 0.81 -4.48 3.11 4.77 -1.26 -4.89 117.00 111.26 3k13 n LEU 403 Ca -0.02 0.59 -0.30 0.00 -0.03 0.00 0.00 56.01 56.25 3k13 n LEU 403 Cb 0.11 -0.36 -0.12 0.00 -2.33 0.00 0.00 43.42 40.73 3k13 n LEU 403 CO 0.27 -0.25 -0.49 -0.76 -1.33 0.00 0.00 177.39 174.83 3k13 s LEU 404 N -4.55 2.69 -0.98 2.23 1.43 -0.51 -5.04 118.68 113.94 3k13 s LEU 404 Ca 0.10 -0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 52.48 3k13 s LEU 404 Cb 0.12 -1.56 0.06 0.00 0.03 0.00 0.00 46.19 44.84 3k13 s LEU 404 CO 0.56 0.21 1.38 -0.62 0.23 0.00 0.00 176.35 178.12 3k13 s ASP 405 N -1.87 6.49 0.22 2.29 2.15 -1.26 -4.67 116.67 120.02 3k13 s ASP 405 Ca 0.17 -1.47 -0.10 0.00 0.43 0.00 0.00 52.55 51.58 3k13 s ASP 405 Cb -0.11 -2.54 0.32 0.00 -0.30 0.00 0.00 42.92 40.29 3k13 s ASP 405 CO 0.08 -1.46 1.65 0.00 -0.17 0.00 0.00 175.17 175.27 3k13 h ALA 406 N 9.67 0.61 -0.63 3.66 0.00 -1.97 -0.89 119.26 129.71 3k13 h ALA 406 Ca 0.16 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3k13 h ALA 406 Cb 1.02 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 3k13 h ALA 406 CO 1.37 -0.41 0.33 -0.09 0.00 0.00 0.00 179.25 180.45 3k13 h ARG 407 N 0.09 0.90 -0.18 0.00 2.43 -1.93 -2.97 114.38 112.72 3k13 h ARG 407 Ca 0.34 -0.12 -0.21 0.00 -0.81 0.00 0.00 59.98 59.18 3k13 h ARG 407 Cb 0.56 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3k13 h ARG 407 CO -0.58 0.70 -0.71 1.15 -1.51 0.00 0.00 179.97 179.01 3k13 h THR 408 N 0.87 1.29 0.00 0.20 2.02 -1.79 -2.10 112.91 113.40 3k13 h THR 408 Ca 0.22 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.47 3k13 h THR 408 Cb 0.08 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3k13 h THR 408 CO -0.03 0.61 0.00 -0.62 0.37 0.00 0.00 175.52 175.85 3k13 n GLU 409 N -3.94 0.22 0.00 6.66 -0.58 -0.41 -1.11 120.64 121.47 3k13 n GLU 409 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3k13 n GLU 409 Cb 0.71 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 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 0.75 0.00 0.09 2.62 -2.24 -0.79 -1.17 114.28 113.54 3k13 n THR 411 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3k13 n THR 411 Cb 0.10 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.90 -0.46 4.28 2.02 -1.38 -1.55 112.91 116.72 3k13 h THR 412 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3k13 h THR 412 Cb 0.00 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3k13 h THR 412 CO 0.00 0.00 -0.25 0.15 0.37 0.00 0.00 175.52 175.79 3k13 h PHE 413 N -0.13 1.12 -0.41 3.16 3.57 -1.39 -1.23 116.94 121.63 3k13 h PHE 413 Ca -0.01 -0.28 -0.04 0.00 3.53 0.00 0.00 57.97 61.16 3k13 h PHE 413 Cb 0.11 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3k13 h PHE 413 CO -0.08 1.11 0.09 -0.07 -2.23 0.00 0.00 178.31 177.13 3k13 h LEU 414 N 0.83 0.62 -0.51 0.59 4.07 -1.79 0.30 115.31 119.42 3k13 h LEU 414 Ca 0.10 -0.24 0.03 0.00 0.08 0.00 0.00 57.88 57.85 3k13 h LEU 414 Cb 0.83 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.37 3k13 h LEU 414 CO 0.07 0.70 0.29 0.78 -1.08 0.00 0.00 178.44 179.20 3k13 h ASN 415 N 0.52 0.44 -0.56 -0.43 2.35 -1.15 -2.66 115.58 114.09 3k13 h ASN 415 Ca 0.13 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3k13 h ASN 415 Cb 0.33 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3k13 h ASN 415 CO 0.00 0.31 0.24 0.25 -1.65 0.00 0.00 177.43 176.58 3k13 h LEU 416 N 0.57 0.76 -2.38 1.61 5.85 -0.88 -2.56 115.31 118.27 3k13 h LEU 416 Ca 0.21 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3k13 h LEU 416 Cb 0.07 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3k13 h LEU 416 CO -0.12 0.70 0.00 -0.38 -0.34 0.00 0.00 178.44 178.30 3k13 n ILE 417 N -4.52 0.00 0.00 4.05 5.41 0.07 -3.13 119.36 121.23 3k13 n ILE 417 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 3k13 n ILE 417 Cb 0.15 -0.31 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 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 0.82 0.00 -4.07 4.38 3.41 -0.97 -3.62 113.62 113.57 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 1.76 0.31 4.33 2.56 -1.19 -5.00 118.70 121.47 3k13 s GLU 420 Ca 0.00 -1.81 0.07 0.00 0.00 0.00 0.00 54.97 53.23 3k13 s GLU 420 Cb 0.00 -3.34 0.78 0.00 2.00 0.00 0.00 34.13 33.57 3k13 s GLU 420 CO 0.00 -0.96 1.77 -1.35 -0.56 0.00 0.00 175.26 174.16 3k13 h PRO 421 N 7.81 0.70 0.00 4.30 0.11 -1.95 0.16 132.00 143.13 3k13 h PRO 421 Ca -0.09 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 3k13 h PRO 421 Cb 1.03 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3k13 h PRO 421 CO 0.59 0.46 -0.01 0.93 -0.21 0.00 0.00 178.00 179.76 3k13 h GLU 422 N 0.72 0.00 0.00 1.05 5.08 -1.94 -2.80 114.58 116.69 3k13 h GLU 422 Ca 0.59 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.70 3k13 h GLU 422 Cb 0.97 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 3k13 h GLU 422 CO -0.39 0.01 -1.93 -0.89 -1.00 0.00 0.00 179.01 174.81 3k13 n ILE 423 N -3.34 0.94 0.32 3.13 5.41 0.30 -4.56 119.36 121.56 3k13 n ILE 423 Ca -0.03 -0.54 0.16 0.00 1.00 0.00 0.00 62.75 63.34 3k13 n ILE 423 Cb 0.10 -0.73 0.67 0.00 -0.71 0.00 0.00 39.64 38.98 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 0.54 1.00 0.00 -1.39 0.00 -0.64 -2.79 119.26 115.98 3k13 h ALA 424 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3k13 h ALA 424 Cb 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3k13 h ALA 424 CO 0.01 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.15 3k13 n ARG 425 N -2.74 0.04 -4.25 0.00 1.85 -1.07 -4.69 116.66 105.81 3k13 n ARG 425 Ca 0.01 0.32 -0.22 0.00 -1.00 0.00 0.00 57.85 56.96 3k13 n ARG 425 Cb 0.23 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.02 3k13 n ARG 425 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3k13 s VAL 426 N -2.83 1.47 0.63 8.89 -7.23 -1.06 -5.10 120.40 115.18 3k13 s VAL 426 Ca 0.05 -1.44 -0.18 0.00 -1.81 0.00 0.00 61.98 58.60 3k13 s VAL 426 Cb 0.05 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 3k13 s VAL 426 CO 0.12 -0.12 1.21 -2.84 -0.31 0.00 0.00 175.10 173.16 3k13 s PRO 427 N -1.82 2.76 0.00 4.82 0.02 -1.25 -4.81 135.00 134.71 3k13 s PRO 427 Ca 0.03 1.82 0.00 0.00 0.02 0.00 0.00 61.00 62.87 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 0.03 -1.37 0.00 0.28 -0.33 0.00 0.00 177.00 175.61 3k13 n VAL 428 N -1.89 0.00 -3.18 3.83 0.31 -1.05 -1.39 118.33 114.96 3k13 n VAL 428 Ca 0.14 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.49 3k13 n VAL 428 Cb 0.50 -0.73 -0.02 0.00 -0.91 0.00 0.00 33.84 32.68 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 2.17 -0.94 -0.42 2.52 1.01 0.76 -1.28 121.20 125.02 3k13 s ILE 430 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 3k13 s ILE 430 Cb 0.00 -0.98 0.10 0.00 0.01 0.00 0.00 42.46 41.59 3k13 s ILE 430 CO 0.00 -0.02 0.24 -0.62 0.00 0.00 0.00 174.94 174.54 3k13 s ASP 431 N 2.80 5.46 0.00 3.58 -1.08 -0.16 -0.65 116.67 126.64 3k13 s ASP 431 Ca 0.18 -1.77 -0.14 0.00 -0.52 0.00 0.00 52.55 50.30 3k13 s ASP 431 Cb -0.14 -1.92 0.02 0.00 -1.46 0.00 0.00 42.92 39.42 3k13 s ASP 431 CO -0.21 -0.56 0.30 -0.55 0.52 0.00 0.00 175.17 174.67 3k13 s SER 432 N 2.09 -0.16 0.00 -0.34 0.15 -0.85 -4.14 113.70 110.46 3k13 s SER 432 Ca 0.05 -0.02 0.28 0.00 0.70 0.00 0.00 55.95 56.96 3k13 s SER 432 Cb -0.23 0.32 1.14 0.00 -1.71 0.00 0.00 66.02 65.53 3k13 s SER 432 CO -0.01 -0.50 1.85 -1.54 1.20 0.00 0.00 173.24 174.24 3k13 n SER 433 N 1.06 0.11 -4.47 5.45 3.41 -1.26 -4.07 113.62 113.85 3k13 n SER 433 Ca -0.21 0.26 -0.36 0.00 -0.26 0.00 0.00 58.87 58.31 3k13 n SER 433 Cb 0.57 -0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 64.07 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 -2.94 3.70 0.27 4.33 -0.14 -1.26 -4.99 119.74 118.71 3k13 s LYS 434 Ca 0.15 -0.47 -0.02 0.00 -1.36 0.00 0.00 55.97 54.28 3k13 s LYS 434 Cb 0.19 -3.26 0.44 0.00 -1.68 0.00 0.00 37.83 33.51 3k13 s LYS 434 CO 0.55 -0.08 1.87 2.35 -0.76 0.00 0.00 175.35 179.28 3k13 h TRP 435 N 7.87 1.18 -0.22 3.18 2.91 -1.97 -1.57 115.95 127.33 3k13 h TRP 435 Ca -0.37 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.67 3k13 h TRP 435 Cb 1.18 -0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.43 3k13 h TRP 435 CO 0.64 0.58 0.10 1.05 -1.03 0.00 0.00 178.44 179.78 3k13 h GLU 436 N 1.13 0.29 -0.08 2.65 4.11 -1.99 0.17 114.58 120.86 3k13 h GLU 436 Ca 0.45 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.82 3k13 h GLU 436 Cb 0.24 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3k13 h GLU 436 CO -0.20 0.24 -0.06 0.28 0.07 0.00 0.00 179.01 179.34 3k13 h VAL 437 N 0.30 1.35 -0.37 -1.06 2.07 -1.71 -1.55 116.25 115.28 3k13 h VAL 437 Ca 0.08 -1.15 0.07 0.00 0.82 0.00 0.00 66.70 66.52 3k13 h VAL 437 Cb 0.04 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 3k13 h VAL 437 CO -0.01 0.32 -0.00 0.40 0.02 0.00 0.00 177.57 178.30 3k13 h ILE 438 N -0.21 0.72 0.00 4.57 2.04 -0.88 -1.67 117.51 122.07 3k13 h ILE 438 Ca 0.02 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 3k13 h ILE 438 Cb 0.54 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3k13 h ILE 438 CO 0.02 0.02 -0.55 1.05 0.00 0.00 0.00 178.15 178.69 3k13 h GLU 439 N 0.10 0.00 -0.65 2.37 4.11 -0.97 -0.26 114.58 119.28 3k13 h GLU 439 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.59 3k13 h GLU 439 Cb 0.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3k13 h GLU 439 CO -0.31 0.55 0.33 0.00 0.07 0.00 0.00 179.01 179.65 3k13 h ALA 440 N 1.45 0.83 -0.48 1.06 0.00 -0.99 -0.18 119.26 120.96 3k13 h ALA 440 Ca -0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3k13 h ALA 440 Cb 1.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3k13 h ALA 440 CO 0.07 0.38 0.14 0.78 0.00 0.00 0.00 179.25 180.61 3k13 h GLY 441 N 0.89 0.80 0.80 0.00 0.00 -0.73 -1.70 103.07 103.14 3k13 h GLY 441 Ca 0.23 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 47.10 3k13 h GLY 441 CO -0.03 0.46 0.28 1.41 0.00 0.00 0.00 176.54 178.65 3k13 h LEU 442 N 0.64 0.43 -1.03 3.11 3.38 -0.87 -0.80 115.31 120.16 3k13 h LEU 442 Ca 0.15 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3k13 h LEU 442 Cb 0.29 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3k13 h LEU 442 CO -0.00 0.30 0.29 0.50 0.09 0.00 0.00 178.44 179.62 3k13 h LYS 443 N 0.55 0.98 -0.05 1.13 3.64 -0.85 -3.17 116.57 118.80 3k13 h LYS 443 Ca 0.21 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3k13 h LYS 443 Cb 0.08 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3k13 h LYS 443 CO -0.12 0.79 -0.10 0.00 -2.27 0.00 0.00 179.45 177.74 3k13 s LEU 445 N -9.02 4.13 -1.17 0.00 1.43 -0.33 -4.97 118.68 108.75 3k13 s LEU 445 Ca -0.15 2.26 -0.11 0.00 -1.03 0.00 0.00 54.13 55.09 3k13 s LEU 445 Cb 0.03 -4.13 0.23 0.00 0.03 0.00 0.00 46.19 42.34 3k13 s LEU 445 CO 0.72 -0.70 1.34 0.00 0.23 0.00 0.00 176.35 177.94 3k13 n GLN 446 N -0.13 3.55 0.00 1.70 6.02 -1.26 -4.95 117.38 122.31 3k13 n GLN 446 Ca 0.05 -4.13 0.00 0.00 -0.01 0.00 0.00 57.00 52.91 3k13 n GLN 446 Cb 0.48 -2.79 0.00 0.00 1.02 0.00 0.00 30.24 28.95 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 3.20 0.63 3.90 1.08 0.00 -1.26 -4.95 105.19 107.79 3k13 n GLY 447 Ca 0.31 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 3k13 n GLY 447 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3k13 n LYS 448 N 0.00 -3.02 -4.04 1.61 2.85 -1.26 -4.94 118.16 109.36 3k13 n LYS 448 Ca 0.00 0.42 -0.11 0.00 -1.05 0.00 0.00 58.31 57.56 3k13 n LYS 448 Cb 0.00 -4.46 -0.11 0.00 -0.65 0.00 0.00 35.03 29.80 3k13 n LYS 448 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3k13 s SER 449 N -4.22 0.67 -0.08 -5.58 1.04 -1.26 -2.53 113.70 101.74 3k13 s SER 449 Ca 0.08 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3k13 s SER 449 Cb -0.03 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.17 3k13 s SER 449 CO 0.88 -0.26 -0.11 -0.63 0.98 0.00 0.00 173.24 174.10 3k13 s ILE 450 N -1.63 1.12 0.05 -1.02 1.01 -0.40 -2.24 121.20 118.08 3k13 s ILE 450 Ca -0.10 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 3k13 s ILE 450 Cb -0.08 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 3k13 s ILE 450 CO -0.01 0.36 0.96 -0.69 0.00 0.00 0.00 174.94 175.56 3k13 s VAL 451 N 0.94 4.71 -0.44 2.92 1.01 -0.20 -0.17 120.40 129.16 3k13 s VAL 451 Ca -0.09 2.04 0.02 0.00 0.00 0.00 0.00 61.98 63.95 3k13 s VAL 451 Cb -0.15 -4.31 0.14 0.00 0.00 0.00 0.00 36.38 32.06 3k13 s VAL 451 CO 0.00 0.24 0.26 0.21 0.00 0.00 0.00 175.10 175.81 3k13 s ASN 452 N 0.54 3.42 0.38 3.32 2.47 0.17 -0.46 114.94 124.78 3k13 s ASN 452 Ca 0.49 -2.69 -0.15 0.00 0.42 0.00 0.00 52.86 50.93 3k13 s ASN 452 Cb -0.22 -0.93 0.06 0.00 -1.45 0.00 0.00 41.25 38.71 3k13 s ASN 452 CO 0.28 -0.25 0.80 -1.54 -3.72 0.00 0.00 177.10 172.67 3k13 n SER 453 N 3.43 -2.27 -4.52 -4.21 3.41 -1.26 -2.00 113.62 106.22 3k13 n SER 453 Ca 0.12 -2.55 -0.25 0.00 -0.26 0.00 0.00 58.87 55.93 3k13 n SER 453 Cb 0.36 3.77 -0.10 0.00 -0.26 0.00 0.00 64.21 67.98 3k13 n SER 453 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3k13 s ILE 454 N -2.10 2.48 0.32 -1.33 -4.36 -0.64 -4.99 121.20 110.58 3k13 s ILE 454 Ca 0.16 -2.28 -0.18 0.00 -0.26 0.00 0.00 60.65 58.09 3k13 s ILE 454 Cb -0.05 -2.48 0.05 0.00 1.25 0.00 0.00 42.46 41.23 3k13 s ILE 454 CO 0.11 -0.32 0.81 -0.94 0.24 0.00 0.00 174.94 174.84 3k13 s SER 455 N -3.57 -0.07 0.00 4.36 1.04 -1.26 -4.18 113.70 110.02 3k13 s SER 455 Ca 0.31 -0.92 0.18 0.00 0.48 0.00 0.00 55.95 56.00 3k13 s SER 455 Cb -0.02 0.76 0.50 0.00 0.10 0.00 0.00 66.02 67.36 3k13 s SER 455 CO 0.16 -1.49 1.41 0.18 0.98 0.00 0.00 173.24 174.48 3k13 n LEU 456 N -0.53 2.56 -0.25 2.42 4.77 -0.44 -4.49 117.00 121.05 3k13 n LEU 456 Ca -0.07 -1.22 0.15 0.00 -0.03 0.00 0.00 56.01 54.85 3k13 n LEU 456 Cb 0.60 -0.27 0.44 0.00 -2.33 0.00 0.00 43.42 41.85 3k13 n LEU 456 CO 0.22 0.61 1.22 0.50 -1.33 0.00 0.00 177.39 178.61 3k13 h LYS 457 N 2.98 0.54 -0.56 3.23 3.64 -1.70 -0.28 116.57 124.41 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 0.67 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3k13 h LYS 457 CO 0.00 0.36 0.00 0.39 -2.27 0.00 0.00 179.45 177.93 3k13 n GLU 458 N -4.55 3.81 0.00 1.90 1.02 -1.26 -4.57 120.64 116.99 3k13 n GLU 458 Ca 0.18 -2.88 0.00 0.00 -0.02 0.00 0.00 57.16 54.44 3k13 n GLU 458 Cb 0.57 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 0.77 0.77 0.24 0.62 0.00 -0.13 -4.50 105.19 102.97 3k13 n GLY 459 Ca 0.25 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 0.83 -0.30 1.61 4.81 -1.94 -2.63 114.58 116.96 3k13 h GLU 460 Ca 0.00 -0.43 0.02 0.00 -0.13 0.00 0.00 59.36 58.81 3k13 h GLU 460 Cb 0.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3k13 h GLU 460 CO 0.00 1.07 0.15 1.49 -0.73 0.00 0.00 179.01 180.99 3k13 h GLU 461 N 0.61 0.31 -0.41 1.92 4.81 -1.99 0.12 114.58 119.96 3k13 h GLU 461 Ca 0.06 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3k13 h GLU 461 Cb 0.91 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 3k13 h GLU 461 CO 0.08 0.20 0.16 0.28 -0.73 0.00 0.00 179.01 179.01 3k13 h VAL 462 N 0.32 1.20 -0.26 0.32 2.07 -1.78 -1.52 116.25 116.60 3k13 h VAL 462 Ca 0.12 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.07 3k13 h VAL 462 Cb 0.03 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3k13 h VAL 462 CO -0.08 0.22 -0.00 0.15 0.02 0.00 0.00 177.57 177.88 3k13 h PHE 463 N 0.52 -0.02 -0.63 1.57 3.57 -1.18 -1.05 116.94 119.72 3k13 h PHE 463 Ca 0.14 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 3k13 h PHE 463 Cb 0.19 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3k13 h PHE 463 CO 0.00 -0.04 0.04 -0.07 -2.23 0.00 0.00 178.31 176.01 3k13 h LEU 464 N 0.07 1.04 -0.48 0.59 3.38 -0.80 -1.03 115.31 118.09 3k13 h LEU 464 Ca 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3k13 h LEU 464 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3k13 h LEU 464 CO -0.21 1.07 0.21 -0.08 0.09 0.00 0.00 178.44 179.52 3k13 h GLU 465 N 0.99 0.71 -0.34 1.13 4.81 -0.94 -0.81 114.58 120.12 3k13 h GLU 465 Ca 0.18 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3k13 h GLU 465 Cb 0.51 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3k13 h GLU 465 CO 0.02 0.62 0.11 0.45 -0.73 0.00 0.00 179.01 179.48 3k13 h HIS 466 N 0.63 0.54 -0.95 0.92 3.86 -1.02 -2.39 115.15 116.74 3k13 h HIS 466 Ca 0.16 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.38 3k13 h HIS 466 Cb 0.16 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.41 3k13 h HIS 466 CO -0.00 0.53 0.62 0.00 0.86 0.00 0.00 177.93 179.94 3k13 h ALA 467 N 0.95 1.44 -0.56 2.45 0.00 -0.98 -0.79 119.26 121.77 3k13 h ALA 467 Ca 0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3k13 h ALA 467 Cb 0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3k13 h ALA 467 CO -0.00 0.43 -0.06 0.00 0.00 0.00 0.00 179.25 179.61 3k13 h ARG 468 N 1.13 1.02 -0.49 0.00 3.08 -0.91 0.26 114.38 118.48 3k13 h ARG 468 Ca 0.40 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3k13 h ARG 468 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3k13 h ARG 468 CO -0.15 1.04 0.13 0.82 -1.07 0.00 0.00 179.97 180.73 3k13 h ILE 469 N 0.92 1.24 -0.62 2.04 2.04 -0.91 -1.46 117.51 120.76 3k13 h ILE 469 Ca 0.15 -0.82 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 3k13 h ILE 469 Cb 0.62 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 3k13 h ILE 469 CO 0.04 0.30 0.28 0.40 0.00 0.00 0.00 178.15 179.17 3k13 h ILE 470 N 0.66 1.22 -0.83 -0.67 2.04 -0.83 -1.78 117.51 117.33 3k13 h ILE 470 Ca 0.15 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 3k13 h ILE 470 Cb 0.32 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 3k13 h ILE 470 CO 0.00 0.26 0.43 0.50 0.00 0.00 0.00 178.15 179.34 3k13 h LYS 471 N 0.85 1.17 -0.93 2.37 3.64 -0.75 -2.03 116.57 120.89 3k13 h LYS 471 Ca 0.21 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3k13 h LYS 471 Cb 0.15 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 3k13 h LYS 471 CO -0.02 0.88 0.61 1.96 -2.27 0.00 0.00 179.45 180.61 3k13 h GLN 472 N 1.16 1.17 0.00 1.90 4.20 -0.61 -0.47 115.11 122.46 3k13 h GLN 472 Ca 0.29 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3k13 h GLN 472 Cb 0.06 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.58 3k13 h GLN 472 CO -0.04 0.78 0.00 0.66 -0.67 0.00 0.00 178.83 179.55 3k13 n TYR 473 N -4.42 0.00 -1.13 2.96 4.01 -0.73 -4.91 117.16 112.94 3k13 n TYR 473 Ca 0.12 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.81 3k13 n TYR 473 Cb 0.06 -0.49 -0.02 0.00 -0.31 0.00 0.00 39.34 38.58 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 0.91 0.73 3.91 2.72 0.00 -0.19 -4.85 105.19 108.42 3k13 n GLY 474 Ca 0.06 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.12 3.50 0.54 4.61 0.00 -0.93 -4.88 121.76 122.48 3k13 s ALA 475 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 3k13 s ALA 475 Cb 0.00 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.68 3k13 s ALA 475 CO 0.00 -0.13 0.81 0.00 0.00 0.00 0.00 175.76 176.44 3k13 s ALA 476 N -2.48 3.51 -0.04 0.00 0.00 -0.95 -4.60 121.76 117.20 3k13 s ALA 476 Ca 0.46 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 3k13 s ALA 476 Cb -0.10 -2.38 0.01 0.00 0.00 0.00 0.00 23.12 20.64 3k13 s ALA 476 CO 0.38 -0.67 0.14 -0.08 0.00 0.00 0.00 175.76 175.53 3k13 s THR 477 N -2.83 0.02 0.24 0.00 -1.32 -0.48 -1.03 115.64 110.24 3k13 s THR 477 Ca 0.53 -0.16 -0.29 0.00 -1.21 0.00 0.00 61.69 60.56 3k13 s THR 477 Cb -0.10 -0.25 -0.09 0.00 -1.51 0.00 0.00 72.50 70.55 3k13 s THR 477 CO 0.42 -0.09 0.92 -0.69 -2.21 0.00 0.00 174.62 172.97 3k13 s VAL 478 N -0.24 4.13 0.00 5.08 1.01 0.39 -0.56 120.40 130.20 3k13 s VAL 478 Ca -0.03 2.00 0.00 0.00 0.00 0.00 0.00 61.98 63.95 3k13 s VAL 478 Cb -0.02 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3k13 s VAL 478 CO 0.00 0.46 0.00 0.52 0.00 0.00 0.00 175.10 176.09 3k13 n VAL 479 N 1.40 0.00 -3.70 2.92 0.31 0.93 -1.62 118.33 118.57 3k13 n VAL 479 Ca -0.02 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.03 3k13 n VAL 479 Cb 0.48 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.30 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 3.39 -3.68 3.52 0.00 -0.49 -0.95 120.51 119.31 3k13 n ALA 481 Ca 0.00 -4.28 -0.12 0.00 0.00 0.00 0.00 53.44 49.04 3k13 n ALA 481 Cb 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.37 -0.48 0.00 0.00 2.19 -1.26 -0.95 117.98 116.11 3k13 s PHE 482 Ca 0.29 1.04 0.00 0.00 0.33 0.00 0.00 56.93 58.60 3k13 s PHE 482 Cb 0.01 0.06 0.00 0.00 -1.31 0.00 0.00 43.02 41.78 3k13 s PHE 482 CO -0.15 -0.35 0.00 -0.40 1.83 0.00 0.00 175.22 176.16 3k13 n ASP 483 N 5.02 1.23 0.24 6.13 5.68 -0.49 -1.33 116.55 133.02 3k13 n ASP 483 Ca -0.12 -0.66 0.16 0.00 -0.50 0.00 0.00 54.79 53.67 3k13 n ASP 483 Cb 0.51 0.00 0.80 0.00 -1.14 0.00 0.00 41.12 41.29 3k13 n ASP 483 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3k13 h GLU 484 N 0.00 0.00 -0.00 0.11 3.07 -1.78 -1.49 114.58 114.49 3k13 h GLU 484 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3k13 h GLU 484 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3k13 h GLU 484 CO 0.00 0.00 -0.71 1.63 -1.40 0.00 0.00 179.01 178.53 3k13 n LYS 485 N -2.68 0.16 0.00 2.33 5.02 -1.26 -5.05 118.16 116.68 3k13 n LYS 485 Ca -0.01 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3k13 n LYS 485 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 0.69 3.73 0.72 0.00 -0.56 -5.05 105.19 106.21 3k13 n GLY 486 Ca 0.06 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.87 4.44 -0.34 1.61 0.74 -1.26 -1.40 119.66 122.58 3k13 s GLN 487 Ca 0.00 1.91 -0.29 0.00 0.05 0.00 0.00 55.36 57.03 3k13 s GLN 487 Cb 0.00 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.86 3k13 s GLN 487 CO 0.00 -0.19 1.41 0.00 -0.55 0.00 0.00 175.29 175.96 3k13 s ALA 488 N 0.34 3.19 -0.25 1.58 0.00 -0.12 -4.88 121.76 121.62 3k13 s ALA 488 Ca 0.56 0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.59 3k13 s ALA 488 Cb -0.33 -3.87 -0.16 0.00 0.00 0.00 0.00 23.12 18.76 3k13 s ALA 488 CO 0.35 -2.10 -0.22 -0.40 0.00 0.00 0.00 175.76 173.38 3k13 n ASP 489 N 8.37 2.06 -4.94 0.00 5.75 -1.26 -4.70 116.55 121.84 3k13 n ASP 489 Ca 0.16 -0.12 -0.25 0.00 -0.01 0.00 0.00 54.79 54.57 3k13 n ASP 489 Cb 0.47 -0.40 0.01 0.00 -1.03 0.00 0.00 41.12 40.17 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 -2.50 4.10 0.19 2.12 -4.23 -1.26 -4.85 115.64 109.21 3k13 s THR 490 Ca -0.34 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 59.80 3k13 s THR 490 Cb 0.09 -3.55 0.11 0.00 1.34 0.00 0.00 72.50 70.49 3k13 s THR 490 CO 0.57 -0.46 1.82 0.00 -0.54 0.00 0.00 174.62 176.01 3k13 h ALA 491 N 0.23 0.79 -0.64 3.99 0.00 -1.95 -1.12 119.26 120.55 3k13 h ALA 491 Ca -0.46 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.47 3k13 h ALA 491 Cb 1.24 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3k13 h ALA 491 CO 0.59 0.07 0.40 0.00 0.00 0.00 0.00 179.25 180.32 3k13 h ALA 492 N 1.28 0.83 -0.37 0.00 0.00 -1.94 -1.12 119.26 117.94 3k13 h ALA 492 Ca 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3k13 h ALA 492 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3k13 h ALA 492 CO -0.12 0.17 -0.00 0.00 0.00 0.00 0.00 179.25 179.30 3k13 h ARG 493 N 0.80 0.65 -0.43 0.00 2.47 -1.84 -1.17 114.38 114.87 3k13 h ARG 493 Ca 0.25 -0.21 0.03 0.00 -1.26 0.00 0.00 59.98 58.79 3k13 h ARG 493 Cb -0.01 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 3k13 h ARG 493 CO -0.09 0.76 0.23 0.87 0.56 0.00 0.00 179.97 182.30 3k13 h LYS 494 N 0.47 0.44 -0.54 0.04 1.57 -0.85 -1.73 116.57 115.98 3k13 h LYS 494 Ca 0.10 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3k13 h LYS 494 Cb 0.47 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3k13 h LYS 494 CO 0.02 0.29 0.16 0.82 -0.57 0.00 0.00 179.45 180.17 3k13 h ILE 495 N 0.45 1.24 -0.16 1.86 2.04 -1.11 -1.76 117.51 120.08 3k13 h ILE 495 Ca 0.18 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3k13 h ILE 495 Cb 0.07 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3k13 h ILE 495 CO -0.12 0.30 0.03 -0.08 0.00 0.00 0.00 178.15 178.28 3k13 h GLU 496 N 0.75 0.09 -0.16 2.37 4.81 -0.82 -0.92 114.58 120.69 3k13 h GLU 496 Ca 0.17 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3k13 h GLU 496 Cb 0.30 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3k13 h GLU 496 CO -0.00 0.06 -0.04 0.28 -0.73 0.00 0.00 179.01 178.58 3k13 h VAL 497 N 0.09 1.29 -0.74 0.32 2.07 -1.23 -2.62 116.25 115.44 3k13 h VAL 497 Ca 0.07 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3k13 h VAL 497 Cb 0.06 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3k13 h VAL 497 CO -0.10 0.29 0.21 0.00 0.02 0.00 0.00 177.57 178.00 3k13 h GLU 499 N 1.10 0.45 -0.32 0.00 4.81 -1.17 0.37 114.58 119.81 3k13 h GLU 499 Ca 0.24 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3k13 h GLU 499 Cb 0.33 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3k13 h GLU 499 CO -0.00 0.30 0.07 -0.09 -0.73 0.00 0.00 179.01 178.56 3k13 h ARG 500 N 0.46 0.52 -0.85 1.92 2.43 -1.11 -1.81 114.38 115.95 3k13 h ARG 500 Ca 0.13 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3k13 h ARG 500 Cb -0.05 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 3k13 h ARG 500 CO -0.03 0.59 0.50 0.00 -1.51 0.00 0.00 179.97 179.52 3k13 h ALA 501 N 0.91 1.08 -0.06 2.80 0.00 -0.78 -1.21 119.26 122.00 3k13 h ALA 501 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k13 h ALA 501 Cb 0.30 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3k13 h ALA 501 CO 0.00 0.55 0.04 -0.92 0.00 0.00 0.00 179.25 178.92 3k13 h TYR 502 N 1.17 0.09 -0.07 0.00 3.20 -0.69 -0.39 116.97 120.27 3k13 h TYR 502 Ca 0.30 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.20 3k13 h TYR 502 Cb -0.03 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 3k13 h TYR 502 CO -0.00 0.13 -0.11 0.00 -1.64 0.00 0.00 178.16 176.54 3k13 h ARG 503 N 0.02 -0.14 -0.39 1.82 2.47 -1.07 0.62 114.38 117.71 3k13 h ARG 503 Ca 0.02 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.81 3k13 h ARG 503 Cb 0.07 0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 28.37 3k13 h ARG 503 CO -0.00 -0.09 0.07 -0.07 0.56 0.00 0.00 179.97 180.43 3k13 h LEU 504 N -0.15 -0.02 -0.03 3.04 3.38 -1.05 0.23 115.31 120.72 3k13 h LEU 504 Ca 0.06 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3k13 h LEU 504 Cb 0.24 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3k13 h LEU 504 CO -0.16 0.03 -0.00 -0.07 0.09 0.00 0.00 178.44 178.32 3k13 h LEU 505 N 0.19 0.06 -0.09 1.67 3.38 -0.65 -0.26 115.31 119.61 3k13 h LEU 505 Ca 0.19 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 3k13 h LEU 505 Cb 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3k13 h LEU 505 CO -0.26 0.38 -0.21 0.58 0.09 0.00 0.00 178.44 179.02 3k13 h VAL 506 N -0.27 1.40 0.15 1.22 2.07 -0.78 -1.27 116.25 118.77 3k13 h VAL 506 Ca 0.01 -1.53 -0.31 0.00 0.82 0.00 0.00 66.70 65.69 3k13 h VAL 506 Cb 0.35 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3k13 h VAL 506 CO 0.00 0.44 -1.48 0.44 0.02 0.00 0.00 177.57 176.99 3k13 h ASP 507 N -0.16 0.48 0.01 0.57 3.32 -0.59 -3.04 116.42 117.01 3k13 h ASP 507 Ca -0.00 -0.60 -0.38 0.00 0.02 0.00 0.00 57.03 56.07 3k13 h ASP 507 Cb 0.81 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.14 3k13 h ASP 507 CO 0.05 1.49 -2.41 0.29 -1.72 0.00 0.00 179.24 176.94 3k13 n LYS 508 N -3.52 0.67 0.01 3.56 5.02 -0.12 -4.55 118.16 119.23 3k13 n LYS 508 Ca -0.15 0.07 0.11 0.00 -2.02 0.00 0.00 58.31 56.32 3k13 n LYS 508 Cb 1.05 -1.53 -0.11 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 -2.99 0.07 -2.04 -0.18 0.31 -1.02 -4.97 118.33 107.50 3k13 n VAL 509 Ca -0.38 -0.33 -0.14 0.00 -0.01 0.00 0.00 64.34 63.47 3k13 n VAL 509 Cb 1.08 0.27 -0.02 0.00 -0.91 0.00 0.00 33.84 34.26 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 1.34 0.23 3.76 2.92 0.00 -0.80 -4.97 105.19 107.67 3k13 n GLY 510 Ca -0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.66 3.09 -0.07 1.61 5.36 -0.55 -4.96 117.98 119.81 3k13 s PHE 511 Ca 0.00 1.36 -0.30 0.00 -0.96 0.00 0.00 56.93 57.03 3k13 s PHE 511 Cb 0.00 -3.67 -0.05 0.00 -0.34 0.00 0.00 43.02 38.96 3k13 s PHE 511 CO 0.00 -1.90 1.59 1.21 -1.46 0.00 0.00 175.22 174.66 3k13 s ASN 512 N -0.31 6.71 0.50 6.13 2.47 -1.26 -4.42 114.94 124.77 3k13 s ASN 512 Ca 0.51 2.15 0.16 0.00 0.42 0.00 0.00 52.86 56.10 3k13 s ASN 512 Cb -0.39 -2.54 1.22 0.00 -1.45 0.00 0.00 41.25 38.10 3k13 s ASN 512 CO 0.50 -0.89 2.10 1.55 -3.72 0.00 0.00 177.10 176.64 3k13 h PRO 513 N 9.25 0.09 0.00 0.43 0.13 -1.92 0.20 132.00 140.19 3k13 h PRO 513 Ca -0.37 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3k13 h PRO 513 Cb 1.17 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3k13 h PRO 513 CO 0.95 0.06 0.00 0.72 -0.23 0.00 0.00 178.00 179.50 3k13 n HIS 514 N -4.50 0.79 0.25 1.56 8.25 -1.25 -2.03 115.22 118.28 3k13 n HIS 514 Ca 0.01 0.33 0.12 0.00 -0.26 0.00 0.00 57.72 57.91 3k13 n HIS 514 Cb 0.19 -1.03 0.25 0.00 1.12 0.00 0.00 29.99 30.52 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 -2.24 3.41 -4.67 0.41 8.00 0.06 -4.81 116.55 116.71 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 0.20 -0.29 -0.08 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.41 5.25 -0.29 0.53 1.01 -0.86 -1.38 121.20 124.04 3k13 s ILE 516 Ca 0.40 0.54 0.02 0.00 0.00 0.00 0.00 60.65 61.62 3k13 s ILE 516 Cb 0.23 -3.66 0.07 0.00 0.01 0.00 0.00 42.46 39.11 3k13 s ILE 516 CO 0.31 0.28 -0.04 -0.63 0.00 0.00 0.00 174.94 174.86 3k13 s ILE 517 N 1.20 2.37 0.20 2.92 1.01 0.27 -0.99 121.20 128.18 3k13 s ILE 517 Ca 0.15 -1.77 -0.28 0.00 0.00 0.00 0.00 60.65 58.75 3k13 s ILE 517 Cb -0.14 -2.48 -0.08 0.00 0.01 0.00 0.00 42.46 39.76 3k13 s ILE 517 CO 0.07 -0.19 0.88 -0.36 0.00 0.00 0.00 174.94 175.34 3k13 s PHE 518 N 1.08 3.94 -0.36 3.97 0.08 -0.08 -0.05 117.98 126.57 3k13 s PHE 518 Ca -0.03 1.80 0.04 0.00 0.12 0.00 0.00 56.93 58.86 3k13 s PHE 518 Cb -0.20 -2.91 0.10 0.00 -0.57 0.00 0.00 43.02 39.44 3k13 s PHE 518 CO -0.05 0.45 0.07 0.34 -0.10 0.00 0.00 175.22 175.94 3k13 s ASP 519 N -1.04 4.69 0.00 1.36 -1.08 -0.13 -0.88 116.67 119.59 3k13 s ASP 519 Ca 0.40 -2.21 0.09 0.00 -0.52 0.00 0.00 52.55 50.30 3k13 s ASP 519 Cb -0.25 -1.59 0.54 0.00 -1.46 0.00 0.00 42.92 40.17 3k13 s ASP 519 CO 0.30 -0.37 1.22 -2.65 0.52 0.00 0.00 175.17 174.19 3k13 n PRO 520 N 4.17 0.84 -1.03 4.34 -0.02 -1.26 -1.39 135.00 140.66 3k13 n PRO 520 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3k13 n PRO 520 Cb 0.41 -1.17 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 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 -0.67 -1.59 -4.63 2.55 3.02 -1.26 -4.76 115.26 107.92 3k13 n ASN 521 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 3k13 n ASN 521 Cb 0.03 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 38.37 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 4.65 0.09 2.41 1.01 -1.26 -4.81 120.40 122.50 3k13 s VAL 522 Ca 0.00 1.49 0.09 0.00 0.00 0.00 0.00 61.98 63.56 3k13 s VAL 522 Cb 0.00 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3k13 s VAL 522 CO 0.00 -0.35 -0.20 -0.76 0.00 0.00 0.00 175.10 173.78 3k13 s LEU 523 N 3.30 2.57 0.35 3.92 1.43 -1.26 -4.58 118.68 124.41 3k13 s LEU 523 Ca 0.39 -0.56 -0.28 0.00 -1.03 0.00 0.00 54.13 52.65 3k13 s LEU 523 Cb -0.13 -1.46 -0.11 0.00 0.03 0.00 0.00 46.19 44.51 3k13 s LEU 523 CO 0.13 0.21 1.47 0.00 0.23 0.00 0.00 176.35 178.39 3k13 n ALA 524 N 1.09 2.19 -2.36 4.21 0.00 -1.18 -4.49 120.51 119.97 3k13 n ALA 524 Ca -0.16 0.35 -0.25 0.00 0.00 0.00 0.00 53.44 53.38 3k13 n ALA 524 Cb 0.53 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.91 1.77 -1.42 0.00 -7.23 -1.09 -4.78 120.40 106.74 3k13 s VAL 525 Ca 0.56 -1.45 -0.06 0.00 -1.81 0.00 0.00 61.98 59.22 3k13 s VAL 525 Cb -0.50 -2.22 0.04 0.00 0.56 0.00 0.00 36.38 34.26 3k13 s VAL 525 CO 0.61 0.00 0.74 0.00 -0.31 0.00 0.00 175.10 176.14 3k13 n ALA 526 N -1.78 -1.74 1.11 1.32 0.00 -1.26 -4.48 120.51 113.68 3k13 n ALA 526 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.50 3k13 n ALA 526 Cb 0.64 -2.76 0.17 0.00 0.00 0.00 0.00 19.45 17.50 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 -4.44 0.00 -0.27 0.00 -2.24 -1.26 -4.80 114.28 101.28 3k13 n THR 527 Ca -0.17 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3k13 n THR 527 Cb 0.62 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 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 1.35 1.54 3.31 3.38 0.00 -1.26 -5.02 105.19 108.50 3k13 n GLY 528 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.94 3.77 0.48 -0.61 1.09 -1.26 -4.98 121.20 116.75 3k13 s ILE 529 Ca 0.00 -0.82 0.20 0.00 -1.10 0.00 0.00 60.65 58.92 3k13 s ILE 529 Cb 0.00 -2.98 0.25 0.00 -1.06 0.00 0.00 42.46 38.67 3k13 s ILE 529 CO 0.00 0.05 2.09 -0.08 -0.10 0.00 0.00 174.94 176.89 3k13 h GLU 530 N 8.20 0.00 0.00 2.79 4.81 -2.01 -1.15 114.58 127.21 3k13 h GLU 530 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3k13 h GLU 530 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3k13 h GLU 530 CO 0.60 0.10 0.00 0.39 -0.73 0.00 0.00 179.01 179.37 3k13 n GLU 531 N -4.16 0.15 0.00 1.92 4.71 -1.26 -1.94 120.64 120.06 3k13 n GLU 531 Ca -0.03 0.49 0.12 0.00 -0.01 0.00 0.00 57.16 57.74 3k13 n GLU 531 Cb 0.18 -1.86 0.26 0.00 -1.01 0.00 0.00 31.44 29.01 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 -2.16 0.00 0.13 -0.32 8.25 -0.43 -4.56 115.22 116.12 3k13 n HIS 532 Ca 0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.57 3k13 n HIS 532 Cb 0.15 -0.11 0.59 0.00 1.12 0.00 0.00 29.99 31.74 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 1.22 0.13 -0.63 0.41 2.35 -1.52 -2.08 115.58 115.46 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 0.55 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3k13 h ASN 533 CO 0.00 0.09 0.00 -3.20 -1.65 0.00 0.00 177.43 172.67 3k13 n ASN 534 N -4.49 3.39 0.03 5.81 5.15 -1.26 -4.51 115.26 119.37 3k13 n ASN 534 Ca 0.02 -2.00 0.01 0.00 -0.60 0.00 0.00 54.58 52.00 3k13 n ASN 534 Cb 0.20 -0.42 0.33 0.00 -0.53 0.00 0.00 39.78 39.36 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 0.47 -0.07 1.20 0.05 -1.69 0.18 116.97 120.83 3k13 h TYR 535 Ca 0.00 -0.04 -0.20 0.00 0.05 0.00 0.00 58.73 58.53 3k13 h TYR 535 Cb 0.85 -0.14 0.01 0.00 1.01 0.00 0.00 36.73 38.47 3k13 h TYR 535 CO 0.42 0.48 -0.74 0.00 -1.05 0.00 0.00 178.16 177.27 3k13 h ALA 536 N 1.55 0.18 -0.88 3.88 0.00 -1.82 -2.55 119.26 119.62 3k13 h ALA 536 Ca 0.10 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.47 3k13 h ALA 536 Cb 0.32 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3k13 h ALA 536 CO 0.01 0.54 0.55 0.28 0.00 0.00 0.00 179.25 180.63 3k13 h VAL 537 N 0.26 1.06 -0.67 0.00 2.07 -1.54 -0.88 116.25 116.56 3k13 h VAL 537 Ca -0.07 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3k13 h VAL 537 Cb 1.40 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3k13 h VAL 537 CO 0.15 0.19 0.33 0.44 0.02 0.00 0.00 177.57 178.69 3k13 h ASP 538 N 1.02 0.87 -0.19 0.57 3.32 -0.60 0.69 116.42 122.09 3k13 h ASP 538 Ca 0.38 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.31 3k13 h ASP 538 Cb 0.14 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3k13 h ASP 538 CO -0.16 0.75 0.12 0.15 -1.72 0.00 0.00 179.24 178.37 3k13 h PHE 539 N 0.93 0.22 -0.50 4.55 3.04 -1.07 -1.40 116.94 122.70 3k13 h PHE 539 Ca 0.23 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.14 3k13 h PHE 539 Cb 0.11 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 3k13 h PHE 539 CO 0.00 0.14 0.12 0.82 -2.02 0.00 0.00 178.31 177.36 3k13 h ILE 540 N 0.24 1.24 -0.61 1.41 2.04 -0.77 -0.12 117.51 120.95 3k13 h ILE 540 Ca 0.07 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 3k13 h ILE 540 Cb -0.01 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3k13 h ILE 540 CO -0.03 0.31 0.23 -0.08 0.00 0.00 0.00 178.15 178.58 3k13 h GLU 541 N 0.69 0.92 -0.60 2.37 4.81 -0.81 -2.37 114.58 119.58 3k13 h GLU 541 Ca 0.16 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3k13 h GLU 541 Cb 0.34 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3k13 h GLU 541 CO 0.00 0.79 0.05 0.00 -0.73 0.00 0.00 179.01 179.12 3k13 h ALA 542 N 1.08 0.94 -0.20 2.92 0.00 -0.93 -2.25 119.26 120.83 3k13 h ALA 542 Ca 0.20 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3k13 h ALA 542 Cb 0.22 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3k13 h ALA 542 CO -0.01 0.64 -0.13 1.15 0.00 0.00 0.00 179.25 180.90 3k13 h THR 543 N 0.94 0.61 -0.47 0.00 2.02 -0.83 0.51 112.91 115.70 3k13 h THR 543 Ca 0.18 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.40 3k13 h THR 543 Cb 0.48 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3k13 h THR 543 CO 0.02 0.00 0.23 1.23 0.37 0.00 0.00 175.52 177.37 3k13 h GLY 544 N -0.13 0.65 0.94 2.16 0.00 -1.21 -1.34 103.07 104.15 3k13 h GLY 544 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3k13 h GLY 544 CO -0.28 0.10 0.15 -0.25 0.00 0.00 0.00 176.54 176.26 3k13 h TRP 545 N 0.46 0.41 -0.10 5.60 7.01 -0.89 -1.88 115.95 126.56 3k13 h TRP 545 Ca 0.21 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.20 3k13 h TRP 545 Cb 0.12 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 3k13 h TRP 545 CO -0.10 0.37 0.03 0.82 -2.79 0.00 0.00 178.44 176.76 3k13 h ILE 546 N 0.34 0.97 0.00 2.65 2.04 -0.61 -0.27 117.51 122.64 3k13 h ILE 546 Ca 0.10 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 3k13 h ILE 546 Cb 0.10 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3k13 h ILE 546 CO -0.01 0.02 -0.18 0.03 0.00 0.00 0.00 178.15 178.00 3k13 h ARG 547 N 0.08 0.00 0.00 2.37 2.47 -1.18 0.34 114.38 118.46 3k13 h ARG 547 Ca 0.04 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.60 3k13 h ARG 547 Cb 0.03 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 3k13 h ARG 547 CO -0.05 0.18 -1.03 0.87 0.56 0.00 0.00 179.97 180.51 3k13 h LYS 548 N 0.00 0.00 0.00 0.04 1.57 -0.96 -3.42 116.57 113.80 3k13 h LYS 548 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3k13 h LYS 548 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3k13 h LYS 548 CO 0.02 0.50 -1.17 0.09 -0.57 0.00 0.00 179.45 178.32 3k13 n ASN 549 N -3.10 4.21 -4.13 0.86 3.02 -0.14 -4.88 115.26 111.10 3k13 n ASN 549 Ca -0.04 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.13 3k13 n ASN 549 Cb 0.83 1.03 -0.09 0.00 -0.61 0.00 0.00 39.78 40.95 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 -3.47 5.46 0.14 3.41 1.43 0.07 -5.05 118.68 120.66 3k13 s LEU 550 Ca -0.01 -2.81 -0.33 0.00 -1.03 0.00 0.00 54.13 49.95 3k13 s LEU 550 Cb 0.02 -1.91 -0.13 0.00 0.03 0.00 0.00 46.19 44.20 3k13 s LEU 550 CO 0.14 -0.40 1.66 -2.65 0.23 0.00 0.00 176.35 175.33 3k13 n PRO 551 N 3.59 2.32 0.00 1.29 -0.02 -1.26 -2.52 135.00 138.39 3k13 n PRO 551 Ca 0.08 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3k13 n PRO 551 Cb 0.39 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 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 3.70 2.67 3.79 -1.23 0.00 -1.26 -4.74 105.19 108.11 3k13 n GLY 552 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.12 2.87 0.41 4.61 0.00 -1.05 -3.83 121.76 122.65 3k13 s ALA 553 Ca 0.00 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.71 3k13 s ALA 553 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.83 3k13 s ALA 553 CO 0.00 -0.43 0.57 -1.01 0.00 0.00 0.00 175.76 174.89 3k13 s HIS 554 N -1.85 3.01 -0.05 0.00 3.76 -0.16 -4.86 115.29 115.14 3k13 s HIS 554 Ca 0.67 -0.17 0.01 0.00 -0.15 0.00 0.00 55.06 55.42 3k13 s HIS 554 Cb -0.20 -2.26 0.02 0.00 1.11 0.00 0.00 32.58 31.26 3k13 s HIS 554 CO 0.24 -0.30 -0.06 0.08 -0.85 0.00 0.00 174.74 173.85 3k13 s VAL 555 N -2.36 0.69 0.39 -0.90 1.01 -1.26 -0.90 120.40 117.06 3k13 s VAL 555 Ca 0.50 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.32 3k13 s VAL 555 Cb -0.10 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3k13 s VAL 555 CO 0.34 0.26 0.16 -0.55 0.00 0.00 0.00 175.10 175.31 3k13 s SER 556 N 0.91 2.49 -0.21 3.32 0.15 -0.06 -2.31 113.70 118.00 3k13 s SER 556 Ca -0.11 -1.70 -0.30 0.00 0.70 0.00 0.00 55.95 54.54 3k13 s SER 556 Cb -0.15 0.53 0.16 0.00 -1.71 0.00 0.00 66.02 64.85 3k13 s SER 556 CO 0.01 -0.97 1.17 -0.83 1.20 0.00 0.00 173.24 173.82 3k13 s GLY 557 N -3.55 -0.13 -0.96 9.45 0.00 -1.26 -4.06 107.32 106.81 3k13 s GLY 557 Ca 0.28 2.27 -0.20 0.00 0.00 0.00 0.00 44.72 47.07 3k13 s GLY 557 CO 0.17 0.97 1.24 -0.32 0.00 0.00 0.00 173.10 175.16 3k13 s GLY 558 N -1.27 1.71 0.25 0.20 0.00 -1.26 -0.60 107.32 106.35 3k13 s GLY 558 Ca 0.04 -2.61 -0.05 0.00 0.00 0.00 0.00 44.72 42.10 3k13 s GLY 558 CO -0.04 2.24 1.90 -2.08 0.00 0.00 0.00 173.10 175.12 3k13 h VAL 559 N 6.14 1.17 0.00 1.40 2.07 -1.76 -2.61 116.25 122.66 3k13 h VAL 559 Ca 0.17 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3k13 h VAL 559 Cb 1.02 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3k13 h VAL 559 CO 1.22 0.22 0.00 0.28 0.02 0.00 0.00 177.57 179.31 3k13 h SER 560 N 1.22 0.00 0.22 0.57 0.02 -1.91 -1.67 113.55 112.01 3k13 h SER 560 Ca 0.38 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 3k13 h SER 560 Cb -0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 3k13 h SER 560 CO -0.12 0.00 -0.13 0.78 -1.14 0.00 0.00 176.83 176.22 3k13 h ASN 561 N 0.00 0.00 -0.91 3.07 4.21 -1.76 -3.12 115.58 117.07 3k13 h ASN 561 Ca 0.00 0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.61 3k13 h ASN 561 Cb 0.38 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.51 3k13 h ASN 561 CO 0.00 0.13 0.58 0.25 -1.29 0.00 0.00 177.43 177.10 3k13 h LEU 562 N 0.00 0.81 -3.01 1.61 5.85 -1.48 -3.09 115.31 116.01 3k13 h LEU 562 Ca -0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3k13 h LEU 562 Cb 0.27 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3k13 h LEU 562 CO 0.02 0.47 0.00 -1.54 -0.34 0.00 0.00 178.44 177.04 3k13 n SER 563 N -4.54 4.44 -0.25 1.25 3.41 -1.18 -2.66 113.62 114.09 3k13 n SER 563 Ca 0.16 -2.29 0.22 0.00 -0.26 0.00 0.00 58.87 56.70 3k13 n SER 563 Cb 0.32 -0.54 0.56 0.00 -0.26 0.00 0.00 64.21 64.29 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 4.07 0.45 0.00 7.33 3.57 -1.66 0.73 116.94 131.42 3k13 h PHE 564 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3k13 h PHE 564 Cb 1.28 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.88 3k13 h PHE 564 CO 0.66 0.10 0.00 0.43 -2.23 0.00 0.00 178.31 177.26 3k13 n SER 565 N -4.48 0.00 -0.74 0.41 7.64 -1.26 -2.75 113.62 112.43 3k13 n SER 565 Ca 0.20 0.39 0.03 0.00 1.01 0.00 0.00 58.87 60.51 3k13 n SER 565 Cb 0.79 -0.44 0.20 0.00 -1.01 0.00 0.00 64.21 63.75 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 -1.44 0.44 -1.60 1.43 3.72 0.25 -5.03 117.46 115.22 3k13 n PHE 566 Ca 0.04 -1.42 -0.46 0.00 -0.05 0.00 0.00 57.45 55.56 3k13 n PHE 566 Cb 0.14 -0.32 -0.03 0.00 -0.94 0.00 0.00 39.48 38.33 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 -1.12 1.41 -0.26 -1.08 1.74 -1.11 -0.93 116.66 115.31 3k13 n ARG 567 Ca 0.24 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 3k13 n ARG 567 Cb 0.82 -1.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 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 1.62 1.51 2.81 -0.13 0.00 -1.26 -4.96 105.19 104.79 3k13 n GLY 568 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.18 4.24 0.35 1.61 -0.87 -0.10 -4.98 114.94 112.01 3k13 s ASN 569 Ca 0.00 -3.69 0.08 0.00 -1.57 0.00 0.00 52.86 47.68 3k13 s ASN 569 Cb 0.00 -1.43 0.67 0.00 -0.02 0.00 0.00 41.25 40.47 3k13 s ASN 569 CO 0.00 -0.10 1.85 0.78 -2.57 0.00 0.00 177.10 177.05 3k13 h ASN 570 N 5.48 0.25 -0.12 -1.22 2.35 -1.93 -1.46 115.58 118.92 3k13 h ASN 570 Ca 0.16 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3k13 h ASN 570 Cb 0.78 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3k13 h ASN 570 CO 0.66 0.47 0.05 0.22 -1.65 0.00 0.00 177.43 177.19 3k13 h TYR 571 N 0.24 0.17 -0.81 1.19 3.20 -1.95 -1.29 116.97 117.73 3k13 h TYR 571 Ca 0.04 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3k13 h TYR 571 Cb 0.51 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.69 3k13 h TYR 571 CO 0.01 0.24 0.50 0.82 -1.64 0.00 0.00 178.16 178.09 3k13 h ILE 572 N 0.05 1.22 -0.03 1.81 1.08 -1.83 0.17 117.51 119.98 3k13 h ILE 572 Ca 0.04 -0.47 0.01 0.00 -0.39 0.00 0.00 64.86 64.04 3k13 h ILE 572 Cb 0.14 0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 33.96 3k13 h ILE 572 CO -0.00 0.23 -0.01 0.03 -0.69 0.00 0.00 178.15 177.71 3k13 h ARG 573 N 1.11 0.00 -0.29 2.37 3.08 -1.14 -2.90 114.38 116.60 3k13 h ARG 573 Ca 0.29 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 3k13 h ARG 573 Cb -0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3k13 h ARG 573 CO -0.06 0.00 -0.19 0.93 -1.07 0.00 0.00 179.97 179.58 3k13 h GLU 574 N 0.00 0.53 -1.22 0.04 5.08 -0.75 -0.57 114.58 117.69 3k13 h GLU 574 Ca 0.02 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3k13 h GLU 574 Cb 0.02 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3k13 h GLU 574 CO -0.03 0.70 0.00 0.00 -1.00 0.00 0.00 179.01 178.68 3k13 n ALA 575 N -2.48 1.62 0.00 3.43 0.00 0.54 -1.21 120.51 122.40 3k13 n ALA 575 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k13 n ALA 575 Cb 0.37 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.70 0.00 -0.18 0.00 -0.00 -0.22 -1.41 115.22 114.11 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 0.01 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 0.65 -0.36 -1.41 0.00 -1.44 0.31 119.26 117.02 3k13 h ALA 578 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3k13 h ALA 578 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3k13 h ALA 578 CO 0.00 0.23 0.12 0.28 0.00 0.00 0.00 179.25 179.88 3k13 h VAL 579 N 0.67 1.21 -0.11 0.00 2.07 -1.50 -1.22 116.25 117.36 3k13 h VAL 579 Ca 0.17 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3k13 h VAL 579 Cb 0.15 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3k13 h VAL 579 CO -0.02 0.23 0.07 0.15 0.02 0.00 0.00 177.57 178.02 3k13 h PHE 580 N 0.43 0.15 -0.81 1.57 3.57 -1.77 -2.56 116.94 117.52 3k13 h PHE 580 Ca 0.12 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3k13 h PHE 580 Cb 0.24 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 3k13 h PHE 580 CO 0.01 0.13 0.43 -0.07 -2.23 0.00 0.00 178.31 176.58 3k13 h LEU 581 N 0.13 1.03 -0.46 0.59 3.38 -0.91 0.68 115.31 119.75 3k13 h LEU 581 Ca 0.04 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.96 3k13 h LEU 581 Cb 0.02 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3k13 h LEU 581 CO -0.01 0.84 0.16 0.22 0.09 0.00 0.00 178.44 179.74 3k13 h TYR 582 N 1.14 0.27 0.06 1.13 3.20 -0.95 0.80 116.97 122.61 3k13 h TYR 582 Ca 0.28 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.91 3k13 h TYR 582 Cb 0.05 -0.05 0.02 0.00 1.54 0.00 0.00 36.73 38.29 3k13 h TYR 582 CO 0.01 0.09 -1.11 0.45 -1.64 0.00 0.00 178.16 175.96 3k13 h HIS 583 N 0.32 0.84 -0.36 -3.82 3.86 -1.23 -3.09 115.15 111.67 3k13 h HIS 583 Ca 0.22 -0.50 -0.10 0.00 -1.16 0.00 0.00 60.37 58.83 3k13 h HIS 583 Cb 0.22 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 3k13 h HIS 583 CO -0.16 1.34 -0.16 0.00 0.86 0.00 0.00 177.93 179.81 3k13 h ALA 584 N 0.49 0.51 -0.65 2.45 0.00 -0.69 -2.94 119.26 118.43 3k13 h ALA 584 Ca -0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3k13 h ALA 584 Cb 1.77 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 3k13 h ALA 584 CO 0.20 0.42 0.29 0.82 0.00 0.00 0.00 179.25 180.99 3k13 h ILE 585 N 0.54 1.22 0.00 0.00 2.04 -0.94 -0.83 117.51 119.53 3k13 h ILE 585 Ca 0.08 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3k13 h ILE 585 Cb 0.69 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3k13 h ILE 585 CO 0.05 0.27 -0.03 1.56 0.00 0.00 0.00 178.15 180.00 3k13 h GLN 586 N 0.93 0.00 -0.01 2.37 4.20 -1.43 -1.09 115.11 120.08 3k13 h GLN 586 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3k13 h GLN 586 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3k13 h GLN 586 CO -0.03 0.03 -0.18 1.04 -0.67 0.00 0.00 178.83 179.02 3k13 n GLN 587 N -4.07 1.08 0.00 1.46 1.13 -0.35 -5.09 117.38 111.53 3k13 n GLN 587 Ca -0.03 -0.64 0.00 0.00 -1.94 0.00 0.00 57.00 54.39 3k13 n GLN 587 Cb 0.12 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.98 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 1.29 2.14 0.73 1.08 0.00 -0.41 -3.71 105.19 106.31 3k13 n GLY 588 Ca 0.14 -1.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.06 0.00 1.61 5.75 -0.98 -4.69 116.55 118.18 3k13 n ASP 590 Ca 0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 54.79 54.48 3k13 n ASP 590 Cb 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 -0.02 1.52 3.62 6.12 0.00 -0.91 -1.04 105.19 114.49 3k13 n GLY 592 Ca -0.02 -0.14 -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 -1.50 4.74 0.07 -0.61 1.01 0.23 -0.27 121.20 124.87 3k13 s ILE 593 Ca 0.00 1.37 -0.05 0.00 0.00 0.00 0.00 60.65 61.97 3k13 s ILE 593 Cb 0.00 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 3k13 s ILE 593 CO 0.00 -0.27 0.08 0.68 0.00 0.00 0.00 174.94 175.43 3k13 s VAL 594 N 3.08 0.18 -0.61 2.92 -7.23 0.06 -1.92 120.40 116.89 3k13 s VAL 594 Ca 0.36 -1.51 -0.26 0.00 -1.81 0.00 0.00 61.98 58.75 3k13 s VAL 594 Cb -0.14 -1.44 0.04 0.00 0.56 0.00 0.00 36.38 35.40 3k13 s VAL 594 CO 0.12 -0.82 1.11 0.21 -0.31 0.00 0.00 175.10 175.40 3k13 s ASN 595 N -2.89 6.33 0.00 4.85 3.84 -1.26 -1.30 114.94 124.50 3k13 s ASN 595 Ca 0.06 -0.26 0.20 0.00 0.21 0.00 0.00 52.86 53.08 3k13 s ASN 595 Cb 0.06 -2.50 0.92 0.00 -0.55 0.00 0.00 41.25 39.18 3k13 s ASN 595 CO -0.10 -1.46 1.66 -0.81 -2.79 0.00 0.00 177.10 173.59 3k13 n PRO 596 N 8.23 0.08 -3.17 0.43 -0.04 -1.26 -4.92 135.00 134.35 3k13 n PRO 596 Ca 0.04 0.13 -0.45 0.00 -0.04 0.00 0.00 63.50 63.18 3k13 n PRO 596 Cb 0.48 -1.50 -0.05 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 -2.88 1.87 0.00 0.55 0.00 -1.26 -4.87 107.32 100.74 3k13 s GLY 597 Ca 0.13 -2.33 0.00 0.00 0.00 0.00 0.00 44.72 42.51 3k13 s GLY 597 CO 0.36 1.47 0.00 -1.14 0.00 0.00 0.00 173.10 173.78 3k13 n SER 599 N 6.00 0.00 -4.62 1.64 3.41 -1.26 -5.20 113.62 113.59 3k13 n SER 599 Ca -0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.16 3k13 n SER 599 Cb 0.42 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 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 -4.00 4.73 0.04 -3.33 1.01 -1.26 -5.09 120.40 112.49 3k13 s VAL 600 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 3k13 s VAL 600 Cb 0.00 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.19 3k13 s VAL 600 CO 0.00 0.46 0.43 -0.76 0.00 0.00 0.00 175.10 175.23 3k13 s LEU 601 N 0.42 4.44 0.21 3.92 1.43 -1.26 -4.72 118.68 123.11 3k13 s LEU 601 Ca 0.03 0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 53.96 3k13 s LEU 601 Cb -0.13 -2.75 0.25 0.00 0.03 0.00 0.00 46.19 43.59 3k13 s LEU 601 CO 0.01 0.27 1.66 0.22 0.23 0.00 0.00 176.35 178.73 3k13 h TYR 602 N 4.38 -0.12 0.00 0.29 3.20 -1.95 -1.28 116.97 121.48 3k13 h TYR 602 Ca -0.51 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.41 3k13 h TYR 602 Cb 1.21 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.63 3k13 h TYR 602 CO 0.69 -0.19 0.00 -1.13 -1.64 0.00 0.00 178.16 175.90 3k13 n SER 603 N -5.31 0.64 -0.03 -2.11 3.41 -1.26 -2.59 113.62 106.37 3k13 n SER 603 Ca 0.08 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 3k13 n SER 603 Cb 0.33 -0.78 0.44 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.18 0.36 -4.67 4.04 8.00 -0.49 -4.88 116.55 116.72 3k13 n ASP 604 Ca 0.03 -0.09 -0.43 0.00 0.71 0.00 0.00 54.79 55.02 3k13 n ASP 604 Cb 0.28 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 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 -2.88 4.18 0.53 0.53 1.01 -1.07 -4.97 121.20 118.53 3k13 s ILE 605 Ca 0.16 1.47 -0.22 0.00 0.00 0.00 0.00 60.65 62.07 3k13 s ILE 605 Cb 0.19 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.64 3k13 s ILE 605 CO 0.60 -0.07 1.16 -2.65 0.00 0.00 0.00 174.94 173.98 3k13 n PRO 606 N 6.00 1.40 -0.18 2.79 -0.02 -1.26 -4.64 135.00 139.09 3k13 n PRO 606 Ca 0.13 0.52 -0.01 0.00 -2.02 0.00 0.00 63.50 62.12 3k13 n PRO 606 Cb 0.45 -2.33 0.08 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.56 -0.03 3.55 0.00 -1.97 0.96 119.26 123.55 3k13 h ALA 607 Ca -0.49 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3k13 h ALA 607 Cb 1.33 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 3k13 h ALA 607 CO 0.55 -0.38 -0.53 -0.44 0.00 0.00 0.00 179.25 178.45 3k13 h ASP 608 N 0.14 0.08 -0.40 0.00 3.32 -2.00 -1.15 116.42 116.42 3k13 h ASP 608 Ca 0.29 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 3k13 h ASP 608 Cb 0.44 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 3k13 h ASP 608 CO -0.45 0.60 -0.34 0.74 -1.72 0.00 0.00 179.24 178.07 3k13 h THR 609 N 0.06 1.27 -0.79 0.35 2.02 -1.62 -2.62 112.91 111.58 3k13 h THR 609 Ca -0.00 -1.51 -0.05 0.00 0.77 0.00 0.00 66.41 65.62 3k13 h THR 609 Cb 0.96 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 3k13 h THR 609 CO 0.07 0.51 0.30 0.25 0.37 0.00 0.00 175.52 177.02 3k13 h LEU 610 N 0.76 1.10 -0.54 2.58 5.85 -0.59 -1.11 115.31 123.36 3k13 h LEU 610 Ca 0.07 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3k13 h LEU 610 Cb 0.93 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3k13 h LEU 610 CO 0.09 0.98 0.25 -0.08 -0.34 0.00 0.00 178.44 179.34 3k13 h GLU 611 N 1.15 0.78 -0.60 1.25 4.81 -1.14 0.12 114.58 120.96 3k13 h GLU 611 Ca 0.26 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3k13 h GLU 611 Cb 0.23 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3k13 h GLU 611 CO -0.02 0.65 0.12 0.87 -0.73 0.00 0.00 179.01 179.91 3k13 h LYS 612 N 0.73 0.95 -0.03 1.92 1.57 -1.06 0.55 116.57 121.19 3k13 h LYS 612 Ca 0.18 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3k13 h LYS 612 Cb 0.13 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3k13 h LYS 612 CO -0.02 0.86 -0.05 0.82 -0.57 0.00 0.00 179.45 180.49 3k13 h ILE 613 N 0.90 1.41 -0.09 1.86 1.08 -0.84 -2.92 117.51 118.92 3k13 h ILE 613 Ca 0.19 -1.30 -0.05 0.00 -0.39 0.00 0.00 64.86 63.31 3k13 h ILE 613 Cb 0.36 2.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.31 3k13 h ILE 613 CO 0.00 0.35 -0.17 -0.33 -0.69 0.00 0.00 178.15 177.31 3k13 h GLU 614 N -0.41 0.14 -0.80 2.37 5.08 -0.77 0.37 114.58 120.56 3k13 h GLU 614 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3k13 h GLU 614 Cb 0.59 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 3k13 h GLU 614 CO 0.01 0.31 0.47 -0.44 -1.00 0.00 0.00 179.01 178.36 3k13 h ASP 615 N 0.13 0.98 0.07 1.42 3.32 -0.80 0.40 116.42 121.94 3k13 h ASP 615 Ca 0.03 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3k13 h ASP 615 Cb 0.39 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3k13 h ASP 615 CO 0.03 0.76 -0.04 0.58 -1.72 0.00 0.00 179.24 178.85 3k13 h VAL 616 N 1.11 0.97 -0.67 -1.35 2.07 -1.19 -0.60 116.25 116.59 3k13 h VAL 616 Ca 0.29 -1.47 0.04 0.00 0.82 0.00 0.00 66.70 66.37 3k13 h VAL 616 Cb -0.02 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3k13 h VAL 616 CO -0.05 0.29 0.41 0.58 0.02 0.00 0.00 177.57 178.82 3k13 h VAL 617 N -0.93 1.05 -0.59 2.57 2.07 -0.91 -2.25 116.25 117.27 3k13 h VAL 617 Ca -0.01 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3k13 h VAL 617 Cb 0.56 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3k13 h VAL 617 CO 0.02 0.14 0.00 0.18 0.02 0.00 0.00 177.57 177.93 3k13 n LEU 618 N -4.71 3.26 -3.81 2.57 4.77 0.12 -3.82 117.00 115.38 3k13 n LEU 618 Ca 0.07 -1.61 -0.27 0.00 -0.03 0.00 0.00 56.01 54.17 3k13 n LEU 618 Cb 0.11 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.82 3k13 n LEU 618 CO 0.32 0.81 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.84 3k13 n ASN 619 N 1.29 -2.29 0.04 -1.43 5.15 -0.53 -4.89 115.26 112.60 3k13 n ASN 619 Ca 0.20 -0.98 0.12 0.00 -0.60 0.00 0.00 54.58 53.32 3k13 n ASN 619 Cb 0.52 -3.34 0.08 0.00 -0.53 0.00 0.00 39.78 36.51 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 -4.30 0.31 -3.65 1.20 1.74 -0.35 -4.90 116.66 106.71 3k13 n ARG 620 Ca -0.23 0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.74 3k13 n ARG 620 Cb 0.65 -1.64 -0.08 0.00 -1.02 0.00 0.00 32.46 30.37 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 -3.20 0.80 0.50 5.56 1.70 -1.26 -5.06 118.95 117.99 3k13 s ARG 621 Ca 0.04 0.25 0.27 0.00 -0.47 0.00 0.00 55.73 55.83 3k13 s ARG 621 Cb 0.14 0.37 1.32 0.00 -0.57 0.00 0.00 34.95 36.21 3k13 s ARG 621 CO 0.77 -0.21 2.00 -1.00 -1.08 0.00 0.00 175.30 175.79 3k13 h PRO 622 N 3.97 0.00 -0.61 3.89 0.13 -1.95 -2.10 132.00 135.32 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 0.33 0.14 0.00 -0.40 -0.23 0.00 0.00 178.00 177.84 3k13 n ASP 623 N -3.52 3.58 -0.15 1.44 5.75 -1.26 -4.56 116.55 117.82 3k13 n ASP 623 Ca -0.01 -2.26 -0.03 0.00 -0.01 0.00 0.00 54.79 52.48 3k13 n ASP 623 Cb 0.29 -0.47 0.06 0.00 -1.03 0.00 0.00 41.12 39.97 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 3.84 0.54 -0.34 2.12 0.00 -1.71 -2.02 119.26 121.69 3k13 h ALA 624 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3k13 h ALA 624 Cb 1.07 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3k13 h ALA 624 CO 0.14 -0.31 0.13 0.00 0.00 0.00 0.00 179.25 179.21 3k13 h ALA 625 N 1.37 0.44 -0.62 0.00 0.00 -1.83 -1.25 119.26 117.37 3k13 h ALA 625 Ca 0.24 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3k13 h ALA 625 Cb 0.31 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3k13 h ALA 625 CO -0.31 0.04 0.32 1.49 0.00 0.00 0.00 179.25 180.79 3k13 h GLU 626 N 0.40 0.57 -0.52 0.00 4.81 -1.81 0.12 114.58 118.14 3k13 h GLU 626 Ca 0.11 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3k13 h GLU 626 Cb 0.19 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3k13 h GLU 626 CO -0.01 0.38 -0.02 0.00 -0.73 0.00 0.00 179.01 178.63 3k13 h ARG 627 N 0.59 0.90 -0.12 1.92 3.08 -1.01 -1.53 114.38 118.22 3k13 h ARG 627 Ca 0.28 -0.27 -0.17 0.00 0.07 0.00 0.00 59.98 59.90 3k13 h ARG 627 Cb 0.21 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3k13 h ARG 627 CO -0.20 0.90 -0.63 1.25 -1.07 0.00 0.00 179.97 180.23 3k13 h LEU 628 N 0.83 0.49 -0.71 3.04 5.85 -0.71 -2.70 115.31 121.41 3k13 h LEU 628 Ca 0.15 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 3k13 h LEU 628 Cb 0.52 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3k13 h LEU 628 CO 0.03 0.99 -0.14 0.40 -0.34 0.00 0.00 178.44 179.38 3k13 h ILE 629 N 0.31 1.26 -0.85 4.05 2.04 -0.83 -0.04 117.51 123.45 3k13 h ILE 629 Ca -0.01 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.63 3k13 h ILE 629 Cb 1.17 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 3k13 h ILE 629 CO 0.11 0.43 0.56 -0.33 0.00 0.00 0.00 178.15 178.91 3k13 h GLU 630 N 0.75 1.07 -0.24 2.37 5.08 -1.12 -0.74 114.58 121.74 3k13 h GLU 630 Ca 0.12 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3k13 h GLU 630 Cb 0.66 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3k13 h GLU 630 CO 0.05 0.71 0.04 1.25 -1.00 0.00 0.00 179.01 180.05 3k13 h LEU 631 N 1.10 0.39 -0.75 1.33 5.85 -1.13 -1.83 115.31 120.27 3k13 h LEU 631 Ca 0.33 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3k13 h LEU 631 Cb -0.04 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 3k13 h LEU 631 CO -0.10 0.55 0.43 0.00 -0.34 0.00 0.00 178.44 178.99 3k13 h ALA 632 N 0.85 1.02 -0.46 1.25 0.00 -0.69 -1.13 119.26 120.11 3k13 h ALA 632 Ca 0.07 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3k13 h ALA 632 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3k13 h ALA 632 CO 0.01 0.12 -0.10 0.93 0.00 0.00 0.00 179.25 180.21 3k13 h GLU 633 N 0.78 0.83 -0.55 0.00 5.08 -1.03 -2.55 114.58 117.13 3k13 h GLU 633 Ca 0.34 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3k13 h GLU 633 Cb 0.21 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3k13 h GLU 633 CO -0.19 0.89 0.15 0.00 -1.00 0.00 0.00 179.01 178.86 3k13 h ALA 634 N 1.14 1.22 0.00 3.43 0.00 -0.51 -3.01 119.26 121.53 3k13 h ALA 634 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3k13 h ALA 634 Cb 0.60 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3k13 h ALA 634 CO 0.04 0.54 -0.09 -0.07 0.00 0.00 0.00 179.25 179.67 3k13 h LEU 635 N 0.81 0.00 -0.37 0.00 3.38 -0.94 -3.51 115.31 114.68 3k13 h LEU 635 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3k13 h LEU 635 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3k13 h LEU 635 CO -0.00 0.09 0.00 0.29 0.09 0.00 0.00 178.44 178.91