#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nrf n LEU 353 N 0.00 1.74 -4.71 4.37 4.77 -1.26 -4.88 117.00 117.03 1nrf n LEU 353 Ca 0.00 0.97 -0.42 0.00 -0.03 0.00 0.00 56.01 56.53 1nrf n LEU 353 Cb 0.00 -1.27 -0.03 0.00 -2.33 0.00 0.00 43.42 39.79 1nrf n LEU 353 CO 0.00 -2.02 1.13 -2.16 -1.33 0.00 0.00 177.39 173.01 1nrf s PRO 354 N -1.91 4.28 0.00 3.23 0.04 -1.26 -3.43 135.00 135.95 1nrf s PRO 354 Ca 0.64 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1nrf s PRO 354 Cb -0.57 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1nrf s PRO 354 CO 0.56 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 177.51 1nrf n GLY 355 N 3.60 0.89 3.28 0.56 0.00 -1.26 -5.11 105.19 107.14 1nrf n GLY 355 Ca 0.12 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 1nrf n GLY 355 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nrf s THR 356 N -2.18 0.00 0.04 2.61 -4.23 -1.22 -4.96 115.64 105.70 1nrf s THR 356 Ca 0.00 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1nrf s THR 356 Cb 0.00 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1nrf s THR 356 CO 0.00 0.00 -0.04 0.54 -0.54 0.00 0.00 174.62 174.58 1nrf s ASN 357 N -3.32 0.52 0.05 3.99 2.20 -0.92 -5.06 114.94 112.41 1nrf s ASN 357 Ca 0.40 -0.66 0.09 0.00 -0.94 0.00 0.00 52.86 51.75 1nrf s ASN 357 Cb 0.03 0.10 -0.03 0.00 -2.00 0.00 0.00 41.25 39.36 1nrf s ASN 357 CO 0.24 -0.35 -0.24 -0.69 -2.94 0.00 0.00 177.10 173.12 1nrf s VAL 358 N -2.14 2.32 0.06 3.54 1.01 -1.26 -1.43 120.40 122.49 1nrf s VAL 358 Ca -0.07 -1.37 0.06 0.00 0.00 0.00 0.00 61.98 60.60 1nrf s VAL 358 Cb -0.05 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1nrf s VAL 358 CO -0.03 0.34 -0.17 -0.70 0.00 0.00 0.00 175.10 174.54 1nrf s GLU 359 N -1.35 1.05 -0.01 2.72 2.12 0.14 -4.93 118.70 118.44 1nrf s GLU 359 Ca 0.13 -0.94 0.08 0.00 0.36 0.00 0.00 54.97 54.60 1nrf s GLU 359 Cb -0.10 -1.14 -0.02 0.00 0.26 0.00 0.00 34.13 33.13 1nrf s GLU 359 CO 0.03 0.27 -0.25 0.71 -0.54 0.00 0.00 175.26 175.49 1nrf s TYR 360 N -1.01 2.36 0.13 5.30 2.02 -1.26 -1.31 117.35 123.58 1nrf s TYR 360 Ca 0.03 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1nrf s TYR 360 Cb -0.09 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.95 1nrf s TYR 360 CO 0.02 0.02 0.11 -1.21 -1.57 0.00 0.00 175.55 172.92 1nrf s GLU 361 N -0.78 0.94 -0.22 -0.62 2.02 -1.02 -4.92 118.70 114.11 1nrf s GLU 361 Ca 0.11 -1.32 -0.05 0.00 0.02 0.00 0.00 54.97 53.72 1nrf s GLU 361 Cb -0.10 0.28 -0.02 0.00 0.10 0.00 0.00 34.13 34.39 1nrf s GLU 361 CO -0.00 -0.28 -0.01 0.34 0.02 0.00 0.00 175.26 175.32 1nrf s ASP 362 N -3.00 4.58 -0.07 -0.19 3.68 -1.26 -4.09 116.67 116.31 1nrf s ASP 362 Ca 0.19 -0.31 0.10 0.00 2.13 0.00 0.00 52.55 54.67 1nrf s ASP 362 Cb 0.06 -1.79 0.16 0.00 -1.45 0.00 0.00 42.92 39.90 1nrf s ASP 362 CO -0.01 -0.00 1.06 -1.22 0.13 0.00 0.00 175.17 175.13 1nrf n TYR 363 N 4.69 0.00 -0.37 -5.34 4.01 -1.26 -4.87 117.16 114.02 1nrf n TYR 363 Ca -0.18 -0.59 0.00 0.00 -0.16 0.00 0.00 57.90 56.97 1nrf n TYR 363 Cb 0.51 -0.10 0.06 0.00 -0.31 0.00 0.00 39.34 39.50 1nrf n TYR 363 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1nrf h SER 364 N 0.00 -1.34 -0.80 7.72 0.02 -1.99 0.13 113.55 117.30 1nrf h SER 364 Ca 0.00 0.31 0.20 0.00 -0.84 0.00 0.00 61.79 61.45 1nrf h SER 364 Cb 1.08 0.73 -0.05 0.00 0.14 0.00 0.00 62.40 64.30 1nrf h SER 364 CO 0.00 -0.30 0.55 0.71 -1.14 0.00 0.00 176.83 176.65 1nrf h THR 365 N -0.01 0.68 -0.08 -2.27 1.35 -1.98 0.51 112.91 111.11 1nrf h THR 365 Ca 0.37 -0.07 -0.14 0.00 -0.55 0.00 0.00 66.41 66.01 1nrf h THR 365 Cb 0.62 0.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 1nrf h THR 365 CO -0.99 0.04 -0.58 -0.26 -0.25 0.00 0.00 175.52 173.48 1nrf h PHE 366 N 0.22 0.31 0.13 4.73 0.04 -1.13 -2.59 116.94 118.64 1nrf h PHE 366 Ca 0.40 -0.11 -0.28 0.00 2.80 0.00 0.00 57.97 60.78 1nrf h PHE 366 Cb 1.22 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 39.32 1nrf h PHE 366 CO -0.00 0.76 -1.24 0.74 -0.60 0.00 0.00 178.31 177.97 1nrf h PHE 367 N 0.18 0.53 -0.71 -0.55 0.04 -0.39 -3.29 116.94 112.76 1nrf h PHE 367 Ca -0.00 -0.38 0.04 0.00 2.80 0.00 0.00 57.97 60.43 1nrf h PHE 367 Cb 1.07 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 39.16 1nrf h PHE 367 CO 0.02 1.29 0.47 -0.44 -0.60 0.00 0.00 178.31 179.05 1nrf h ASP 368 N 0.09 0.71 -0.20 2.17 3.45 -0.04 -2.04 116.42 120.56 1nrf h ASP 368 Ca -0.14 -0.01 0.06 0.00 0.43 0.00 0.00 57.03 57.37 1nrf h ASP 368 Cb 1.97 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 40.57 1nrf h ASP 368 CO 0.21 0.48 0.24 0.11 -1.57 0.00 0.00 179.24 178.71 1nrf h LYS 369 N 0.82 0.00 -0.20 3.56 1.57 -1.53 -0.58 116.57 120.21 1nrf h LYS 369 Ca 0.29 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1nrf h LYS 369 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1nrf h LYS 369 CO -0.09 0.00 -0.02 1.19 -0.57 0.00 0.00 179.45 179.96 1nrf n PHE 370 N -3.68 0.71 -4.11 -1.35 3.72 -0.83 -4.95 117.46 106.98 1nrf n PHE 370 Ca 0.02 -1.04 -0.34 0.00 -0.05 0.00 0.00 57.45 56.04 1nrf n PHE 370 Cb 0.37 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.60 1nrf n PHE 370 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1nrf n SER 371 N -0.85 -3.80 -4.40 4.37 7.64 -0.23 -4.68 113.62 111.67 1nrf n SER 371 Ca 0.22 -0.93 -0.20 0.00 1.01 0.00 0.00 58.87 58.97 1nrf n SER 371 Cb 0.85 -3.18 -0.10 0.00 -1.01 0.00 0.00 64.21 60.77 1nrf n SER 371 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nrf s ALA 372 N -3.31 2.20 0.08 -0.43 0.00 -0.83 -3.95 121.76 115.53 1nrf s ALA 372 Ca 0.70 -1.84 0.04 0.00 0.00 0.00 0.00 51.96 50.87 1nrf s ALA 372 Cb -0.37 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1nrf s ALA 372 CO 0.89 -0.07 -0.12 -1.54 0.00 0.00 0.00 175.76 174.92 1nrf s SER 373 N -3.40 1.52 0.00 0.00 1.04 -0.54 -3.96 113.70 108.36 1nrf s SER 373 Ca 0.28 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1nrf s SER 373 Cb 0.03 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1nrf s SER 373 CO 0.10 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1nrf n GLY 374 N 1.09 -0.62 3.24 7.32 0.00 -1.26 0.01 105.19 114.97 1nrf n GLY 374 Ca -0.20 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 1nrf n GLY 374 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nrf s GLY 375 N 0.00 1.55 -0.10 -0.02 0.00 0.55 -4.72 107.32 104.59 1nrf s GLY 375 Ca 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 44.72 42.92 1nrf s GLY 375 CO 0.00 -1.47 0.20 -0.12 0.00 0.00 0.00 173.10 171.71 1nrf s PHE 376 N -4.01 -0.27 -0.13 1.90 5.36 -0.86 -2.37 117.98 117.59 1nrf s PHE 376 Ca 0.39 0.72 0.02 0.00 -0.96 0.00 0.00 56.93 57.09 1nrf s PHE 376 Cb 0.07 -0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.65 1nrf s PHE 376 CO 0.13 -0.27 -0.18 0.08 -1.46 0.00 0.00 175.22 173.52 1nrf s VAL 377 N 1.96 1.73 -0.02 3.12 1.01 -0.18 -0.89 120.40 127.13 1nrf s VAL 377 Ca -0.02 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1nrf s VAL 377 Cb -0.12 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1nrf s VAL 377 CO -0.07 0.49 -0.20 -0.22 0.00 0.00 0.00 175.10 175.10 1nrf s LEU 378 N 1.01 2.04 -0.14 3.92 2.96 -0.12 -1.02 118.68 127.32 1nrf s LEU 378 Ca -0.04 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1nrf s LEU 378 Cb -0.15 -1.03 0.03 0.00 0.50 0.00 0.00 46.19 45.54 1nrf s LEU 378 CO -0.04 0.25 -0.10 0.12 -1.32 0.00 0.00 176.35 175.26 1nrf s PHE 379 N -0.47 1.84 -0.46 5.38 2.19 0.19 -0.73 117.98 125.92 1nrf s PHE 379 Ca 0.08 -1.04 -0.21 0.00 0.33 0.00 0.00 56.93 56.09 1nrf s PHE 379 Cb -0.08 -1.41 0.03 0.00 -1.31 0.00 0.00 43.02 40.26 1nrf s PHE 379 CO -0.01 -0.61 0.67 1.21 1.83 0.00 0.00 175.22 178.32 1nrf s ASN 380 N 1.59 6.31 0.11 6.13 3.84 0.68 -1.95 114.94 131.64 1nrf s ASN 380 Ca 0.04 -0.45 -0.24 0.00 0.21 0.00 0.00 52.86 52.41 1nrf s ASN 380 Cb -0.13 -2.33 -0.09 0.00 -0.55 0.00 0.00 41.25 38.15 1nrf s ASN 380 CO -0.09 -0.85 1.68 0.28 -2.79 0.00 0.00 177.10 175.33 1nrf h SER 381 N 8.95 -0.38 -0.47 -4.21 0.02 -1.84 0.74 113.55 116.35 1nrf h SER 381 Ca -0.26 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1nrf h SER 381 Cb 1.09 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 1nrf h SER 381 CO 0.93 -0.20 0.25 0.78 -1.14 0.00 0.00 176.83 177.45 1nrf h ASN 382 N -0.26 0.60 0.15 3.07 2.35 -1.92 -2.41 115.58 117.16 1nrf h ASN 382 Ca 0.03 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1nrf h ASN 382 Cb 0.29 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1nrf h ASN 382 CO -0.10 0.53 -0.07 0.54 -1.65 0.00 0.00 177.43 176.68 1nrf n ARG 383 N -4.66 1.09 -4.33 0.81 5.12 -1.15 -4.91 116.66 108.64 1nrf n ARG 383 Ca 0.02 -0.46 -0.36 0.00 -1.93 0.00 0.00 57.85 55.11 1nrf n ARG 383 Cb 0.09 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 29.84 1nrf n ARG 383 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1nrf n LYS 384 N -0.56 -1.90 -5.29 5.56 5.02 0.25 -4.81 118.16 116.44 1nrf n LYS 384 Ca 0.18 0.24 -0.31 0.00 -2.02 0.00 0.00 58.31 56.39 1nrf n LYS 384 Cb 0.28 -4.62 -0.16 0.00 -0.02 0.00 0.00 35.03 30.51 1nrf n LYS 384 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1nrf s LYS 385 N -7.08 2.32 -0.14 1.97 2.20 -0.74 -2.15 119.74 116.11 1nrf s LYS 385 Ca 0.55 -0.92 -0.06 0.00 -0.36 0.00 0.00 55.97 55.18 1nrf s LYS 385 Cb -0.31 -2.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.87 1nrf s LYS 385 CO 0.97 0.47 0.08 0.71 -0.36 0.00 0.00 175.35 177.22 1nrf s TYR 386 N -0.40 3.35 -0.21 4.03 1.51 -0.52 -0.23 117.35 124.89 1nrf s TYR 386 Ca 0.03 0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.38 1nrf s TYR 386 Cb -0.12 -1.96 0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1nrf s TYR 386 CO 0.01 0.43 -0.16 0.99 -1.11 0.00 0.00 175.55 175.71 1nrf s THR 387 N -0.40 2.07 0.00 -0.71 2.01 0.09 0.24 115.64 118.95 1nrf s THR 387 Ca 0.10 -1.17 0.02 0.00 0.31 0.00 0.00 61.69 60.94 1nrf s THR 387 Cb -0.12 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 1nrf s THR 387 CO 0.02 0.33 -0.06 0.27 -0.69 0.00 0.00 174.62 174.49 1nrf s ILE 388 N 1.23 0.45 -0.15 1.82 -4.36 -0.42 -0.95 121.20 118.83 1nrf s ILE 388 Ca 0.00 -0.37 -0.04 0.00 -0.26 0.00 0.00 60.65 59.99 1nrf s ILE 388 Cb -0.15 -0.41 -0.03 0.00 1.25 0.00 0.00 42.46 43.12 1nrf s ILE 388 CO -0.10 0.04 -0.02 -0.47 0.24 0.00 0.00 174.94 174.63 1nrf s TYR 389 N -0.32 3.06 -0.35 1.37 6.14 -0.07 -2.44 117.35 124.74 1nrf s TYR 389 Ca 0.00 -0.18 -0.13 0.00 0.64 0.00 0.00 57.07 57.41 1nrf s TYR 389 Cb -0.03 -1.94 0.02 0.00 0.42 0.00 0.00 41.96 40.42 1nrf s TYR 389 CO -0.00 0.07 0.48 -1.71 0.64 0.00 0.00 175.55 175.03 1nrf n ASN 390 N 3.30 -6.80 -0.20 4.32 2.85 -1.26 -2.04 115.26 115.42 1nrf n ASN 390 Ca -0.17 0.43 0.11 0.00 -0.11 0.00 0.00 54.58 54.83 1nrf n ASN 390 Cb 0.53 -4.55 0.41 0.00 1.24 0.00 0.00 39.78 37.41 1nrf n ASN 390 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1nrf h ARG 391 N 1.59 0.61 0.39 1.20 2.43 -1.95 -2.05 114.38 116.59 1nrf h ARG 391 Ca 0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1nrf h ARG 391 Cb 0.81 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1nrf h ARG 391 CO 0.16 0.40 -0.19 -0.22 -1.51 0.00 0.00 179.97 178.62 1nrf h LYS 392 N 0.62 -0.50 -0.66 0.20 3.64 -1.98 -2.25 116.57 115.64 1nrf h LYS 392 Ca 0.38 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.76 1nrf h LYS 392 Cb 0.60 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 1nrf h LYS 392 CO -0.14 -0.32 0.30 0.93 -2.27 0.00 0.00 179.45 177.95 1nrf h GLU 393 N -0.55 0.97 0.00 1.90 4.39 -1.83 -1.91 114.58 117.55 1nrf h GLU 393 Ca -0.05 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1nrf h GLU 393 Cb 0.42 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1nrf h GLU 393 CO 0.09 0.78 0.00 0.77 -1.16 0.00 0.00 179.01 179.49 1nrf h SER 394 N 0.92 0.00 -0.01 1.42 0.02 -1.23 -2.17 113.55 112.50 1nrf h SER 394 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1nrf h SER 394 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1nrf h SER 394 CO -0.03 0.00 -0.01 0.35 -1.14 0.00 0.00 176.83 176.01 1nrf n THR 395 N -2.46 0.00 -3.36 -2.27 -2.24 -0.86 -1.68 114.28 101.41 1nrf n THR 395 Ca -0.01 -0.50 -0.38 0.00 -2.27 0.00 0.00 64.05 60.90 1nrf n THR 395 Cb 0.11 1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.36 1nrf n THR 395 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1nrf s SER 396 N -0.40 6.94 0.19 3.42 0.01 -0.75 -4.87 113.70 118.24 1nrf s SER 396 Ca 0.05 1.13 -0.11 0.00 1.31 0.00 0.00 55.95 58.34 1nrf s SER 396 Cb 0.04 -2.31 -0.07 0.00 0.21 0.00 0.00 66.02 63.88 1nrf s SER 396 CO 0.06 0.26 0.53 -0.13 0.41 0.00 0.00 173.24 174.37 1nrf s ARG 397 N -1.25 3.83 0.16 12.44 0.52 -1.26 -4.09 118.95 129.30 1nrf s ARG 397 Ca 0.29 0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 55.76 1nrf s ARG 397 Cb -0.18 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 1nrf s ARG 397 CO 0.17 0.39 0.17 -0.06 0.02 0.00 0.00 175.30 175.99 1nrf s PHE 398 N -1.68 0.72 0.22 -0.53 0.40 -0.79 -4.82 117.98 111.50 1nrf s PHE 398 Ca 0.43 -1.07 -0.31 0.00 -0.60 0.00 0.00 56.93 55.38 1nrf s PHE 398 Cb -0.12 -0.31 -0.11 0.00 0.51 0.00 0.00 43.02 42.98 1nrf s PHE 398 CO 0.21 -0.63 1.60 0.00 0.70 0.00 0.00 175.22 177.09 1nrf s ALA 399 N -4.04 3.79 0.36 5.36 0.00 -1.26 -1.78 121.76 124.20 1nrf s ALA 399 Ca 0.24 1.47 0.19 0.00 0.00 0.00 0.00 51.96 53.86 1nrf s ALA 399 Cb 0.06 -3.64 0.99 0.00 0.00 0.00 0.00 23.12 20.52 1nrf s ALA 399 CO 0.03 -0.86 1.91 -1.00 0.00 0.00 0.00 175.76 175.84 1nrf h PRO 400 N 6.07 0.00 0.00 0.00 0.13 -1.69 -3.47 132.00 133.03 1nrf h PRO 400 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1nrf h PRO 400 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1nrf h PRO 400 CO 0.88 0.26 0.00 0.00 -0.23 0.00 0.00 178.00 178.91 1nrf n ALA 401 N -2.39 0.00 0.05 -0.56 0.00 0.53 -2.05 120.51 116.09 1nrf n ALA 401 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.45 1nrf n ALA 401 Cb 0.34 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.92 1nrf n ALA 401 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nrf n SER 402 N -2.94 0.12 0.25 0.00 7.64 -1.26 -1.38 113.62 116.04 1nrf n SER 402 Ca 0.00 0.44 0.11 0.00 1.01 0.00 0.00 58.87 60.43 1nrf n SER 402 Cb 0.00 -0.44 0.63 0.00 -1.01 0.00 0.00 64.21 63.39 1nrf n SER 402 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1nrf h THR 403 N 0.00 0.63 0.00 0.44 1.35 -1.46 -2.68 112.91 111.18 1nrf h THR 403 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1nrf h THR 403 Cb 0.29 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1nrf h THR 403 CO 0.00 0.17 0.00 0.22 -0.25 0.00 0.00 175.52 175.66 1nrf h TYR 404 N 0.00 0.00 -0.47 4.73 3.20 -1.37 -3.25 116.97 119.81 1nrf h TYR 404 Ca -0.00 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.00 1nrf h TYR 404 Cb 0.46 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1nrf h TYR 404 CO 0.00 0.00 0.41 0.87 -1.64 0.00 0.00 178.16 177.80 1nrf h LYS 405 N 0.00 0.00 -0.43 1.82 1.57 -1.67 -0.52 116.57 117.34 1nrf h LYS 405 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nrf h LYS 405 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1nrf h LYS 405 CO 0.00 0.00 0.26 0.28 -0.57 0.00 0.00 179.45 179.42 1nrf h VAL 406 N 0.00 1.13 0.00 0.50 2.07 -1.79 0.12 116.25 118.28 1nrf h VAL 406 Ca 0.22 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 1nrf h VAL 406 Cb 1.05 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1nrf h VAL 406 CO -0.00 0.13 -0.84 -0.26 0.02 0.00 0.00 177.57 176.62 1nrf h PHE 407 N 0.56 0.00 -0.42 1.57 -1.00 -1.41 -2.62 116.94 113.63 1nrf h PHE 407 Ca 0.15 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.90 1nrf h PHE 407 Cb -0.01 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 1nrf h PHE 407 CO -0.03 0.75 0.14 1.03 -1.61 0.00 0.00 178.31 178.59 1nrf h SER 408 N 0.00 0.59 -0.53 2.17 0.87 -0.93 -2.01 113.55 113.71 1nrf h SER 408 Ca -0.03 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.29 1nrf h SER 408 Cb 1.60 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.38 1nrf h SER 408 CO 0.09 0.62 0.16 0.00 -0.53 0.00 0.00 176.83 177.18 1nrf h ALA 409 N 0.99 1.21 -0.57 6.23 0.00 -0.75 -2.13 119.26 124.24 1nrf h ALA 409 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1nrf h ALA 409 Cb 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1nrf h ALA 409 CO -0.01 0.55 -0.05 1.25 0.00 0.00 0.00 179.25 180.99 1nrf h LEU 410 N 0.85 1.04 -0.37 0.00 5.85 -1.16 -1.96 115.31 119.55 1nrf h LEU 410 Ca 0.19 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 1nrf h LEU 410 Cb 0.27 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1nrf h LEU 410 CO -0.01 1.12 -0.09 0.25 -0.34 0.00 0.00 178.44 179.37 1nrf h LEU 411 N 0.93 0.73 -0.77 2.25 5.85 -1.20 -1.60 115.31 121.51 1nrf h LEU 411 Ca 0.15 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1nrf h LEU 411 Cb 0.62 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 1nrf h LEU 411 CO 0.04 0.93 0.46 0.00 -0.34 0.00 0.00 178.44 179.53 1nrf h ALA 412 N 0.83 1.05 -0.06 1.25 0.00 -1.20 -0.99 119.26 120.14 1nrf h ALA 412 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1nrf h ALA 412 Cb 0.61 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1nrf h ALA 412 CO 0.04 0.18 -0.03 -0.07 0.00 0.00 0.00 179.25 179.37 1nrf h LEU 413 N 0.85 0.14 -2.26 0.00 3.38 -1.26 -1.36 115.31 114.80 1nrf h LEU 413 Ca 0.34 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1nrf h LEU 413 Cb 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1nrf h LEU 413 CO -0.17 0.51 0.14 -0.33 0.09 0.00 0.00 178.44 178.68 1nrf h GLU 414 N -0.24 0.00 0.00 1.13 4.39 -0.91 -1.03 114.58 117.92 1nrf h GLU 414 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1nrf h GLU 414 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1nrf h GLU 414 CO 0.01 0.00 -0.62 0.43 -1.16 0.00 0.00 179.01 177.67 1nrf n SER 415 N -3.91 0.62 0.00 1.42 7.64 -0.41 -4.94 113.62 114.04 1nrf n SER 415 Ca 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1nrf n SER 415 Cb 0.26 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1nrf n SER 415 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nrf n GLY 416 N 1.39 0.76 0.26 0.23 0.00 -0.39 -4.91 105.19 102.53 1nrf n GLY 416 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1nrf n GLY 416 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1nrf h ILE 417 N 0.00 0.92 -3.63 -0.61 1.08 -1.48 -3.44 117.51 110.36 1nrf h ILE 417 Ca 0.00 -0.12 -0.07 0.00 -0.39 0.00 0.00 64.86 64.28 1nrf h ILE 417 Cb 0.00 1.07 -0.12 0.00 -3.07 0.00 0.00 36.82 34.69 1nrf h ILE 417 CO 0.00 0.03 -0.20 0.27 -0.69 0.00 0.00 178.15 177.56 1nrf s ILE 418 N -4.89 0.08 0.16 -0.67 -4.36 -1.20 -5.03 121.20 105.29 1nrf s ILE 418 Ca -0.05 -1.03 0.01 0.00 -0.26 0.00 0.00 60.65 59.33 1nrf s ILE 418 Cb 0.16 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.31 1nrf s ILE 418 CO 0.65 -0.34 0.00 0.42 0.24 0.00 0.00 174.94 175.91 1nrf s THR 419 N -3.89 0.60 0.30 8.37 -4.23 -0.77 -4.41 115.64 111.61 1nrf s THR 419 Ca 0.10 -1.96 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 1nrf s THR 419 Cb 0.02 -2.06 0.29 0.00 1.34 0.00 0.00 72.50 72.10 1nrf s THR 419 CO -0.06 -0.52 1.77 0.50 -0.54 0.00 0.00 174.62 175.77 1nrf h LYS 420 N 2.75 0.71 0.08 3.99 1.63 -1.98 -2.90 116.57 120.84 1nrf h LYS 420 Ca -0.36 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.26 1nrf h LYS 420 Cb 1.20 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.68 1nrf h LYS 420 CO 0.62 0.47 -0.61 -0.91 -3.45 0.00 0.00 179.45 175.57 1nrf h ASN 421 N 0.73 0.28 -3.69 4.20 2.35 -2.04 -3.43 115.58 113.97 1nrf h ASN 421 Ca 0.57 -0.94 -0.68 0.00 -0.55 0.00 0.00 56.30 54.70 1nrf h ASN 421 Cb 0.91 -0.09 -0.36 0.00 0.05 0.00 0.00 38.32 38.83 1nrf h ASN 421 CO -0.39 1.28 -0.68 -0.62 -1.65 0.00 0.00 177.43 175.37 1nrf s ASP 422 N -6.71 4.89 0.00 5.81 3.68 -1.10 -4.83 116.67 118.41 1nrf s ASP 422 Ca -0.17 -1.71 0.00 0.00 2.13 0.00 0.00 52.55 52.81 1nrf s ASP 422 Cb 0.00 -1.70 0.00 0.00 -1.45 0.00 0.00 42.92 39.77 1nrf s ASP 422 CO 0.77 -0.35 0.52 -1.54 0.13 0.00 0.00 175.17 174.69 1nrf n SER 423 N 4.50 0.42 -4.76 -0.34 3.41 -1.25 -1.85 113.62 113.75 1nrf n SER 423 Ca -0.06 -1.19 -0.39 0.00 -0.26 0.00 0.00 58.87 56.97 1nrf n SER 423 Cb 0.42 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.40 1nrf n SER 423 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1nrf s HIS 424 N -0.19 2.44 -0.27 7.33 5.04 -1.26 -3.89 115.29 124.49 1nrf s HIS 424 Ca 0.00 1.36 -0.01 0.00 -1.54 0.00 0.00 55.06 54.88 1nrf s HIS 424 Cb 0.00 -3.78 0.14 0.00 0.04 0.00 0.00 32.58 28.98 1nrf s HIS 424 CO 0.00 -2.69 0.35 1.41 -2.34 0.00 0.00 174.74 171.47 1nrf s MET 425 N -2.70 0.35 0.51 2.88 1.75 -0.88 -5.01 119.30 116.20 1nrf s MET 425 Ca 0.66 0.19 -0.23 0.00 -1.25 0.00 0.00 55.69 55.06 1nrf s MET 425 Cb -0.40 -0.52 -0.06 0.00 2.84 0.00 0.00 34.83 36.69 1nrf s MET 425 CO 0.49 -0.88 1.36 0.99 -0.65 0.00 0.00 175.02 176.32 1nrf s THR 426 N 2.48 2.18 -0.08 10.11 2.01 -1.26 -2.44 115.64 128.63 1nrf s THR 426 Ca 0.10 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.13 1nrf s THR 426 Cb -0.14 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 1nrf s THR 426 CO -0.25 0.01 0.26 -1.66 -0.69 0.00 0.00 174.62 172.28 1nrf s TRP 427 N -1.29 3.62 0.00 4.92 1.48 -1.26 -4.91 118.94 121.50 1nrf s TRP 427 Ca 0.68 0.70 0.00 0.00 -1.06 0.00 0.00 56.10 56.42 1nrf s TRP 427 Cb -0.40 -2.13 0.00 0.00 -1.16 0.00 0.00 33.47 29.78 1nrf s TRP 427 CO 0.49 0.62 0.67 -0.25 -4.06 0.00 0.00 176.95 174.42 1nrf n ASP 428 N 2.20 0.00 0.00 -2.66 9.92 -1.26 -4.81 116.55 119.94 1nrf n ASP 428 Ca -0.17 0.67 0.00 0.00 -0.53 0.00 0.00 54.79 54.77 1nrf n ASP 428 Cb 0.53 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1nrf n ASP 428 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nrf n GLY 429 N -0.97 -0.33 3.69 0.44 0.00 -1.26 -5.12 105.19 101.64 1nrf n GLY 429 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1nrf n GLY 429 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nrf n THR 430 N 0.00 0.33 -2.66 2.61 -1.04 -1.26 -4.90 114.28 107.35 1nrf n THR 430 Ca 0.00 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.53 1nrf n THR 430 Cb 0.00 -2.00 -0.02 0.00 -1.82 0.00 0.00 70.33 66.49 1nrf n THR 430 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1nrf s GLN 431 N 2.58 3.71 0.65 -2.82 0.74 -1.26 -4.76 119.66 118.51 1nrf s GLN 431 Ca 0.83 -1.53 -0.13 0.00 0.05 0.00 0.00 55.36 54.57 1nrf s GLN 431 Cb -0.54 -5.29 -0.01 0.00 1.10 0.00 0.00 33.01 28.27 1nrf s GLN 431 CO 0.39 -2.10 1.06 0.71 -0.55 0.00 0.00 175.29 174.80 1nrf s TYR 432 N 4.12 3.03 -1.26 1.67 1.51 -1.26 -4.91 117.35 120.25 1nrf s TYR 432 Ca 0.45 1.47 0.00 0.00 -1.01 0.00 0.00 57.07 57.98 1nrf s TYR 432 Cb -0.00 -2.95 0.00 0.00 -0.11 0.00 0.00 41.96 38.90 1nrf s TYR 432 CO -0.06 -1.20 0.81 -2.30 -1.11 0.00 0.00 175.55 171.69 1nrf n PRO 433 N -2.63 0.00 -3.94 -1.71 -0.02 -1.26 -4.39 135.00 121.04 1nrf n PRO 433 Ca 0.08 0.32 -0.28 0.00 -2.02 0.00 0.00 63.50 61.59 1nrf n PRO 433 Cb 0.53 -1.52 -0.17 0.00 -0.02 0.00 0.00 33.50 32.33 1nrf n PRO 433 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1nrf s TYR 434 N -2.62 1.83 0.65 6.00 1.51 -1.26 -5.02 117.35 118.44 1nrf s TYR 434 Ca 0.00 -1.04 0.35 0.00 -1.01 0.00 0.00 57.07 55.36 1nrf s TYR 434 Cb 0.00 -1.40 1.90 0.00 -0.11 0.00 0.00 41.96 42.35 1nrf s TYR 434 CO 0.00 -0.61 2.10 -0.22 -1.11 0.00 0.00 175.55 175.72 1nrf h LYS 435 N 8.11 0.00 0.00 -0.62 3.64 -1.98 -1.70 116.57 124.03 1nrf h LYS 435 Ca -0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1nrf h LYS 435 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1nrf h LYS 435 CO 0.45 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 178.56 1nrf h GLU 436 N 0.00 0.00 0.00 1.90 5.08 -1.95 -3.05 114.58 116.56 1nrf h GLU 436 Ca 0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.16 1nrf h GLU 436 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1nrf h GLU 436 CO -0.00 0.00 -1.14 -1.49 -1.00 0.00 0.00 179.01 175.38 1nrf h TRP 437 N 0.00 0.00 0.00 4.33 4.06 -1.67 -3.40 115.95 119.27 1nrf h TRP 437 Ca 0.00 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.50 1nrf h TRP 437 Cb 0.86 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.03 1nrf h TRP 437 CO 0.00 0.94 2.65 0.09 -3.56 0.00 0.00 178.44 178.56 1nrf n ASN 438 N -3.25 6.29 -3.61 -3.49 3.02 -1.15 -4.78 115.26 108.29 1nrf n ASN 438 Ca -0.04 -2.41 -0.02 0.00 -0.03 0.00 0.00 54.58 52.08 1nrf n ASN 438 Cb 0.94 -1.28 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 1nrf n ASN 438 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nrf s GLN 439 N 2.61 0.42 0.04 3.52 -2.07 -1.26 -5.05 119.66 117.87 1nrf s GLN 439 Ca 0.53 -0.20 -0.33 0.00 -1.82 0.00 0.00 55.36 53.54 1nrf s GLN 439 Cb 0.16 0.17 -0.12 0.00 -1.09 0.00 0.00 33.01 32.12 1nrf s GLN 439 CO -0.04 -0.19 1.76 -0.25 -1.32 0.00 0.00 175.29 175.26 1nrf n ASP 440 N -0.28 3.43 -5.00 12.60 8.00 -1.26 -4.54 116.55 129.50 1nrf n ASP 440 Ca -0.04 1.01 -0.18 0.00 0.71 0.00 0.00 54.79 56.29 1nrf n ASP 440 Cb 0.60 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1nrf n ASP 440 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1nrf s GLN 441 N 2.70 3.00 0.07 -1.24 -1.52 -1.02 -4.97 119.66 116.67 1nrf s GLN 441 Ca 0.86 -1.11 0.00 0.00 -1.95 0.00 0.00 55.36 53.16 1nrf s GLN 441 Cb -0.65 -2.80 -0.04 0.00 -0.22 0.00 0.00 33.01 29.31 1nrf s GLN 441 CO 0.44 -0.07 -0.05 0.34 -0.25 0.00 0.00 175.29 175.70 1nrf s ASP 442 N -4.25 0.76 0.14 5.90 3.68 -1.26 -2.07 116.67 119.57 1nrf s ASP 442 Ca 0.49 -0.98 -0.19 0.00 2.13 0.00 0.00 52.55 54.00 1nrf s ASP 442 Cb -0.10 0.15 0.00 0.00 -1.45 0.00 0.00 42.92 41.52 1nrf s ASP 442 CO 0.32 -0.53 1.71 0.25 0.13 0.00 0.00 175.17 177.05 1nrf h LEU 443 N 3.14 -0.13 -1.15 -1.34 5.85 -1.98 0.62 115.31 120.33 1nrf h LEU 443 Ca -0.35 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 1nrf h LEU 443 Cb 1.15 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1nrf h LEU 443 CO 0.64 -0.03 -0.08 -0.26 -0.34 0.00 0.00 178.44 178.37 1nrf h PHE 444 N 0.06 0.53 0.09 1.25 -1.00 -1.94 -2.29 116.94 113.63 1nrf h PHE 444 Ca 0.12 -0.07 -0.25 0.00 2.81 0.00 0.00 57.97 60.57 1nrf h PHE 444 Cb 0.16 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.57 1nrf h PHE 444 CO -0.21 0.57 -1.16 0.66 -1.61 0.00 0.00 178.31 176.57 1nrf h SER 445 N 0.47 0.35 -0.28 2.17 4.64 -1.79 -3.10 113.55 116.00 1nrf h SER 445 Ca 0.09 -0.36 -0.08 0.00 -0.47 0.00 0.00 61.79 60.98 1nrf h SER 445 Cb 0.43 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1nrf h SER 445 CO 0.02 1.26 -0.08 0.00 -0.87 0.00 0.00 176.83 177.17 1nrf h ALA 446 N 0.69 1.12 0.33 5.18 0.00 0.40 -1.71 119.26 125.27 1nrf h ALA 446 Ca -0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1nrf h ALA 446 Cb 1.88 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1nrf h ALA 446 CO 0.18 0.55 -0.16 0.52 0.00 0.00 0.00 179.25 180.35 1nrf h MET 447 N 0.62 -0.42 -0.96 0.00 2.07 -1.49 1.02 114.93 115.77 1nrf h MET 447 Ca 0.12 0.03 0.10 0.00 -2.07 0.00 0.00 59.70 57.88 1nrf h MET 447 Cb 0.51 0.10 -0.08 0.00 -1.87 0.00 0.00 31.60 30.25 1nrf h MET 447 CO 0.03 -0.10 0.59 0.77 1.07 0.00 0.00 176.91 179.27 1nrf h SER 448 N -0.83 0.89 0.14 1.22 0.02 -1.51 -1.94 113.55 111.54 1nrf h SER 448 Ca -0.05 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1nrf h SER 448 Cb 0.52 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1nrf h SER 448 CO 0.07 0.50 -0.40 -1.20 -1.14 0.00 0.00 176.83 174.67 1nrf n SER 449 N -4.63 1.37 -3.73 3.07 7.64 -0.65 -4.95 113.62 111.75 1nrf n SER 449 Ca 0.17 -1.10 -0.28 0.00 1.01 0.00 0.00 58.87 58.67 1nrf n SER 449 Cb 0.30 0.32 0.04 0.00 -1.01 0.00 0.00 64.21 63.85 1nrf n SER 449 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1nrf n SER 450 N -0.51 -5.27 -4.56 6.43 7.64 0.32 -4.78 113.62 112.89 1nrf n SER 450 Ca 0.10 -0.65 -0.30 0.00 1.01 0.00 0.00 58.87 59.03 1nrf n SER 450 Cb 0.39 -4.20 -0.04 0.00 -1.01 0.00 0.00 64.21 59.35 1nrf n SER 450 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nrf s THR 451 N -3.27 3.32 0.21 0.44 2.01 0.72 -4.81 115.64 114.27 1nrf s THR 451 Ca 0.60 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 62.43 1nrf s THR 451 Cb -0.29 -3.77 0.15 0.00 0.01 0.00 0.00 72.50 68.61 1nrf s THR 451 CO 0.75 -0.73 1.76 0.74 -0.69 0.00 0.00 174.62 176.45 1nrf h THR 452 N 7.23 0.82 -0.48 -0.82 2.02 -1.86 -2.65 112.91 117.16 1nrf h THR 452 Ca -0.07 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.04 1nrf h THR 452 Cb 1.08 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1nrf h THR 452 CO 1.18 0.09 0.34 4.11 0.37 0.00 0.00 175.52 181.61 1nrf h TRP 453 N 0.51 0.17 0.07 3.16 5.08 -1.98 -1.42 115.95 121.54 1nrf h TRP 453 Ca 0.32 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.29 1nrf h TRP 453 Cb 0.35 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 26.46 1nrf h TRP 453 CO -0.13 0.08 -0.03 -0.92 -1.28 0.00 0.00 178.44 176.16 1nrf h TYR 454 N 0.16 -0.08 -0.00 0.12 5.03 -1.87 -0.76 116.97 119.56 1nrf h TYR 454 Ca 0.23 -0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.38 1nrf h TYR 454 Cb 0.69 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 1nrf h TYR 454 CO -0.00 -0.01 -0.74 0.74 -1.32 0.00 0.00 178.16 176.83 1nrf h PHE 455 N -0.14 0.06 0.04 -3.82 -1.00 -1.57 -2.70 116.94 107.81 1nrf h PHE 455 Ca -0.01 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 1nrf h PHE 455 Cb 0.11 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1nrf h PHE 455 CO -0.06 0.77 -0.02 1.96 -1.61 0.00 0.00 178.31 179.35 1nrf h GLN 456 N 0.03 -0.05 0.00 1.51 4.20 -1.11 0.53 115.11 120.22 1nrf h GLN 456 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1nrf h GLN 456 Cb 1.31 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1nrf h GLN 456 CO 0.10 0.10 0.00 1.63 -0.67 0.00 0.00 178.83 179.99 1nrf n LYS 457 N -5.05 0.09 0.08 1.46 5.02 -0.30 -1.18 118.16 118.28 1nrf n LYS 457 Ca -0.08 0.35 -0.22 0.00 -2.02 0.00 0.00 58.31 56.34 1nrf n LYS 457 Cb 0.11 -1.68 -0.15 0.00 -0.02 0.00 0.00 35.03 33.29 1nrf n LYS 457 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1nrf h LEU 458 N 0.00 0.59 -0.70 -0.35 5.85 -0.86 -3.21 115.31 116.63 1nrf h LEU 458 Ca 0.00 -0.85 -0.14 0.00 0.84 0.00 0.00 57.88 57.73 1nrf h LEU 458 Cb 0.29 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1nrf h LEU 458 CO 0.00 1.71 -0.62 0.44 -0.34 0.00 0.00 178.44 179.63 1nrf h ASP 459 N 0.10 0.13 0.69 1.25 5.19 0.10 -3.09 116.42 120.79 1nrf h ASP 459 Ca -0.32 -0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 55.91 1nrf h ASP 459 Cb 2.09 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 41.55 1nrf h ASP 459 CO 0.18 0.71 -0.52 0.03 -3.12 0.00 0.00 179.24 176.53 1nrf h ARG 460 N 0.08 0.00 -0.07 3.56 3.08 -1.26 -2.26 114.38 117.52 1nrf h ARG 460 Ca -0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1nrf h ARG 460 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1nrf h ARG 460 CO 0.09 0.52 -0.61 0.37 -1.07 0.00 0.00 179.97 179.26 1nrf h GLN 461 N 0.00 0.24 0.09 0.04 4.15 -1.53 -3.17 115.11 114.92 1nrf h GLN 461 Ca -0.01 -0.17 -0.26 0.00 0.77 0.00 0.00 58.65 58.99 1nrf h GLN 461 Cb 1.00 0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.72 1nrf h GLN 461 CO 0.07 0.78 -1.14 0.82 -1.93 0.00 0.00 178.83 177.43 1nrf h ILE 462 N 0.18 1.45 0.00 2.39 2.04 -1.51 -3.50 117.51 118.55 1nrf h ILE 462 Ca -0.01 -2.80 0.00 0.00 1.00 0.00 0.00 64.86 63.06 1nrf h ILE 462 Cb 1.12 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 1nrf h ILE 462 CO 0.09 0.82 0.00 0.61 0.00 0.00 0.00 178.15 179.68 1nrf n GLY 463 N 1.31 -0.50 0.26 5.37 0.00 -0.86 -4.30 105.19 106.46 1nrf n GLY 463 Ca -0.08 -1.52 -0.01 0.00 0.00 0.00 0.00 46.02 44.40 1nrf n GLY 463 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nrf h GLU 464 N 0.00 0.66 0.38 1.61 4.81 -1.90 0.23 114.58 120.38 1nrf h GLU 464 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1nrf h GLU 464 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1nrf h GLU 464 CO 0.00 0.44 -0.28 -0.44 -0.73 0.00 0.00 179.01 177.99 1nrf h ASP 465 N 0.68 -0.74 0.45 1.04 3.45 -2.00 0.30 116.42 119.61 1nrf h ASP 465 Ca 0.30 0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.77 1nrf h ASP 465 Cb 0.20 0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 1nrf h ASP 465 CO -0.19 -0.43 -0.24 0.45 -1.57 0.00 0.00 179.24 177.26 1nrf h HIS 466 N -0.66 0.00 0.15 4.55 3.86 -1.70 -2.21 115.15 119.14 1nrf h HIS 466 Ca -0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1nrf h HIS 466 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1nrf h HIS 466 CO -0.13 0.24 -0.07 -0.07 0.86 0.00 0.00 177.93 178.76 1nrf h LEU 467 N 0.00 -0.17 -1.06 2.43 3.38 0.12 -2.47 115.31 117.55 1nrf h LEU 467 Ca -0.00 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.66 1nrf h LEU 467 Cb 0.53 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1nrf h LEU 467 CO 0.03 0.29 0.64 0.03 0.09 0.00 0.00 178.44 179.51 1nrf h ARG 468 N -0.69 1.20 -0.80 1.13 3.08 -0.35 -1.48 114.38 116.47 1nrf h ARG 468 Ca -0.02 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.02 1nrf h ARG 468 Cb 0.50 -0.27 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 1nrf h ARG 468 CO 0.03 0.79 0.49 1.25 -1.07 0.00 0.00 179.97 181.46 1nrf h HIS 469 N 1.23 0.90 0.38 3.04 2.76 -1.40 -2.54 115.15 119.53 1nrf h HIS 469 Ca 0.38 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.56 1nrf h HIS 469 Cb -0.02 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 28.66 1nrf h HIS 469 CO -0.00 0.46 -0.18 -0.92 -1.30 0.00 0.00 177.93 175.98 1nrf h TYR 470 N 0.90 -0.47 -0.70 5.26 3.20 -0.79 0.13 116.97 124.49 1nrf h TYR 470 Ca 0.35 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.38 1nrf h TYR 470 Cb 0.16 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1nrf h TYR 470 CO -0.04 -0.25 0.48 -0.07 -1.64 0.00 0.00 178.16 176.64 1nrf h LEU 471 N -0.57 0.22 0.13 2.82 3.38 -1.23 0.16 115.31 120.22 1nrf h LEU 471 Ca -0.05 0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.63 1nrf h LEU 471 Cb 0.43 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.18 1nrf h LEU 471 CO 0.09 0.11 -1.26 0.11 0.09 0.00 0.00 178.44 177.58 1nrf h LYS 472 N 0.23 0.62 0.00 1.13 1.57 -1.08 -0.82 116.57 118.21 1nrf h LYS 472 Ca 0.34 -0.84 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1nrf h LYS 472 Cb 1.02 0.28 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 1nrf h LYS 472 CO -0.07 1.39 -0.02 0.66 -0.57 0.00 0.00 179.45 180.84 1nrf h SER 473 N 0.25 0.00 -0.20 0.86 4.64 0.20 -2.11 113.55 117.19 1nrf h SER 473 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1nrf h SER 473 Cb 1.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.02 1nrf h SER 473 CO 0.24 0.02 0.00 2.30 -0.87 0.00 0.00 176.83 178.52 1nrf n ILE 474 N -4.39 0.88 -3.87 0.95 -5.35 -0.57 -5.02 119.36 102.01 1nrf n ILE 474 Ca -0.03 -0.94 -0.30 0.00 -0.27 0.00 0.00 62.75 61.21 1nrf n ILE 474 Cb 0.10 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 1nrf n ILE 474 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1nrf n HIS 475 N 0.19 -1.83 -2.98 4.28 -0.00 -0.42 -4.88 115.22 109.58 1nrf n HIS 475 Ca 0.07 0.62 -0.43 0.00 -0.00 0.00 0.00 57.72 57.99 1nrf n HIS 475 Cb 0.34 -2.71 -0.05 0.00 -0.00 0.00 0.00 29.99 27.57 1nrf n HIS 475 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 1nrf s TYR 476 N -3.12 2.97 0.00 1.57 6.14 -0.60 -4.95 117.35 119.35 1nrf s TYR 476 Ca 0.12 0.00 0.00 0.00 0.64 0.00 0.00 57.07 57.83 1nrf s TYR 476 Cb -0.07 -3.68 0.00 0.00 0.42 0.00 0.00 41.96 38.63 1nrf s TYR 476 CO 0.91 -1.05 0.00 0.41 0.64 0.00 0.00 175.55 176.46 1nrf n GLY 477 N 5.05 2.55 0.00 8.97 0.00 -1.26 -0.84 105.19 119.65 1nrf n GLY 477 Ca 0.00 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1nrf n GLY 477 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nrf n ASN 478 N 0.47 0.00 0.00 1.61 0.23 0.23 -4.87 115.26 112.93 1nrf n ASN 478 Ca 0.00 0.35 0.00 0.00 -0.53 0.00 0.00 54.58 54.40 1nrf n ASN 478 Cb 0.00 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.27 1nrf n ASN 478 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1nrf n GLU 479 N -1.43 -0.72 -1.21 -3.83 1.02 -0.02 -4.99 120.64 109.46 1nrf n GLU 479 Ca 0.06 0.18 -0.30 0.00 -0.02 0.00 0.00 57.16 57.08 1nrf n GLU 479 Cb 0.19 -4.05 0.13 0.00 -0.02 0.00 0.00 31.44 27.68 1nrf n GLU 479 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1nrf s ASP 480 N -2.16 3.76 -0.25 1.62 2.15 -1.26 -4.86 116.67 115.67 1nrf s ASP 480 Ca 0.00 1.60 -0.21 0.00 0.43 0.00 0.00 52.55 54.37 1nrf s ASP 480 Cb 0.00 -2.29 0.07 0.00 -0.30 0.00 0.00 42.92 40.40 1nrf s ASP 480 CO 0.00 -2.48 0.65 0.12 -0.17 0.00 0.00 175.17 173.29 1nrf s PHE 481 N -2.91 -0.77 0.00 -5.34 5.36 -1.26 -3.76 117.98 109.30 1nrf s PHE 481 Ca 0.63 1.79 0.00 0.00 -0.96 0.00 0.00 56.93 58.39 1nrf s PHE 481 Cb -0.18 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.81 1nrf s PHE 481 CO 0.57 -0.37 0.00 -1.13 -1.46 0.00 0.00 175.22 172.82 1nrf n SER 482 N 3.03 0.00 -4.06 6.13 3.41 -1.26 -4.98 113.62 115.89 1nrf n SER 482 Ca -0.15 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.28 1nrf n SER 482 Cb 0.56 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.37 1nrf n SER 482 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1nrf s VAL 483 N 0.00 0.75 0.51 -3.33 -7.23 -1.26 -5.00 120.40 104.83 1nrf s VAL 483 Ca 0.00 -0.69 0.38 0.00 -1.81 0.00 0.00 61.98 59.86 1nrf s VAL 483 Cb 0.00 -0.68 0.58 0.00 0.56 0.00 0.00 36.38 36.84 1nrf s VAL 483 CO 0.00 0.01 1.67 1.55 -0.31 0.00 0.00 175.10 178.02 1nrf h PRO 484 N 5.35 0.06 0.00 4.82 0.13 -1.97 -1.24 132.00 139.14 1nrf h PRO 484 Ca -0.33 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.68 1nrf h PRO 484 Cb 1.19 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1nrf h PRO 484 CO 0.46 0.04 -0.56 0.00 -0.23 0.00 0.00 178.00 177.71 1nrf h ALA 485 N 1.35 1.07 0.00 -0.56 0.00 -1.95 -3.41 119.26 115.77 1nrf h ALA 485 Ca 0.77 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nrf h ALA 485 Cb 2.81 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.51 1nrf h ALA 485 CO -0.15 0.69 -0.25 -0.40 0.00 0.00 0.00 179.25 179.14 1nrf n ASP 486 N -3.87 0.00 -0.03 0.00 5.75 -0.53 -4.91 116.55 112.97 1nrf n ASP 486 Ca -0.01 -1.50 0.23 0.00 -0.01 0.00 0.00 54.79 53.49 1nrf n ASP 486 Cb 0.56 -0.10 0.72 0.00 -1.03 0.00 0.00 41.12 41.27 1nrf n ASP 486 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 1nrf h TYR 487 N 0.00 0.00 -0.36 2.11 -0.00 -1.63 0.34 116.97 117.44 1nrf h TYR 487 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1nrf h TYR 487 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.93 1nrf h TYR 487 CO -0.03 0.00 0.00 -2.67 -0.00 0.00 0.00 178.16 175.46 1nrf n TRP 488 N -4.08 0.47 0.00 0.10 4.27 -1.26 -1.83 117.44 115.10 1nrf n TRP 488 Ca 0.12 -0.23 0.00 0.00 -3.89 0.00 0.00 57.50 53.49 1nrf n TRP 488 Cb 0.74 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.69 1nrf n TRP 488 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1nrf n LEU 489 N 0.80 0.77 0.00 5.67 4.77 0.91 -0.34 117.00 129.57 1nrf n LEU 489 Ca 0.16 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.27 1nrf n LEU 489 Cb 0.41 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.15 1nrf n LEU 489 CO 0.12 0.13 0.92 -0.90 -1.33 0.00 0.00 177.39 176.33 1nrf n ASP 490 N -1.63 0.00 0.00 -1.43 3.85 0.48 -4.89 116.55 112.93 1nrf n ASP 490 Ca 0.00 -0.22 0.00 0.00 -0.71 0.00 0.00 54.79 53.86 1nrf n ASP 490 Cb 0.24 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.79 1nrf n ASP 490 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1nrf n GLY 491 N 0.78 0.81 0.10 6.12 0.00 -1.26 -4.96 105.19 106.78 1nrf n GLY 491 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 1nrf n GLY 491 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nrf h SER 492 N 0.00 -0.11 -3.35 1.61 4.64 -1.89 -3.43 113.55 111.02 1nrf h SER 492 Ca 0.00 -0.35 -0.56 0.00 -0.47 0.00 0.00 61.79 60.41 1nrf h SER 492 Cb 0.00 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.07 1nrf h SER 492 CO 0.00 0.51 0.31 -0.22 -0.87 0.00 0.00 176.83 176.56 1nrf s LEU 493 N -8.70 4.28 0.02 5.97 2.96 -0.76 -4.47 118.68 117.99 1nrf s LEU 493 Ca -0.10 1.35 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 1nrf s LEU 493 Cb -0.00 -3.32 -0.02 0.00 0.50 0.00 0.00 46.19 43.35 1nrf s LEU 493 CO 0.35 -0.28 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.97 1nrf s GLN 494 N 1.39 0.34 0.00 1.98 -0.21 -1.26 -4.00 119.66 117.91 1nrf s GLN 494 Ca 0.43 -0.50 -0.07 0.00 0.02 0.00 0.00 55.36 55.23 1nrf s GLN 494 Cb -0.18 -0.09 0.00 0.00 1.00 0.00 0.00 33.01 33.74 1nrf s GLN 494 CO 0.19 0.01 0.14 -1.50 -2.12 0.00 0.00 175.29 172.01 1nrf s ILE 495 N -1.04 0.08 0.35 1.08 2.07 -0.74 -0.60 121.20 122.41 1nrf s ILE 495 Ca -0.09 -0.67 -0.01 0.00 -1.41 0.00 0.00 60.65 58.47 1nrf s ILE 495 Cb -0.07 -0.43 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 1nrf s ILE 495 CO -0.00 -0.37 0.58 -0.94 -1.91 0.00 0.00 174.94 172.29 1nrf s SER 496 N -1.34 6.31 0.34 4.50 1.04 -1.26 -1.89 113.70 121.39 1nrf s SER 496 Ca -0.14 0.54 0.06 0.00 0.48 0.00 0.00 55.95 56.89 1nrf s SER 496 Cb -0.07 -2.07 0.72 0.00 0.10 0.00 0.00 66.02 64.70 1nrf s SER 496 CO 0.02 -0.32 1.88 -0.65 0.98 0.00 0.00 173.24 175.15 1nrf h PRO 497 N 0.81 0.77 -0.33 4.02 0.11 -1.71 0.21 132.00 135.89 1nrf h PRO 497 Ca -0.49 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 1nrf h PRO 497 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1nrf h PRO 497 CO 0.62 0.51 -0.18 1.25 -0.21 0.00 0.00 178.00 179.99 1nrf h LEU 498 N 0.80 0.72 -0.84 2.35 5.85 -1.67 -2.64 115.31 119.87 1nrf h LEU 498 Ca 0.43 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1nrf h LEU 498 Cb 0.55 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1nrf h LEU 498 CO -0.19 0.98 0.22 -0.33 -0.34 0.00 0.00 178.44 178.78 1nrf h GLU 499 N 0.47 1.08 -0.10 1.25 5.08 -1.49 -2.23 114.58 118.65 1nrf h GLU 499 Ca 0.07 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1nrf h GLU 499 Cb 0.72 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1nrf h GLU 499 CO 0.05 0.92 -0.13 1.96 -1.00 0.00 0.00 179.01 180.81 1nrf h GLN 500 N 1.04 -0.17 -0.26 2.33 1.08 -0.47 -1.05 115.11 117.61 1nrf h GLN 500 Ca 0.23 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.47 1nrf h GLN 500 Cb 0.29 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1nrf h GLN 500 CO -0.01 -0.11 0.08 0.28 -0.95 0.00 0.00 178.83 178.12 1nrf h VAL 501 N -0.17 0.91 -0.75 -0.54 2.07 -1.24 0.12 116.25 116.65 1nrf h VAL 501 Ca 0.08 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1nrf h VAL 501 Cb 0.29 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1nrf h VAL 501 CO -0.20 0.03 0.39 0.78 0.02 0.00 0.00 177.57 178.59 1nrf h ASN 502 N 0.19 0.96 0.92 0.57 2.35 -1.11 -2.02 115.58 117.44 1nrf h ASN 502 Ca 0.12 -0.12 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 1nrf h ASN 502 Cb 0.10 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1nrf h ASN 502 CO -0.13 0.80 -0.82 -0.29 -1.65 0.00 0.00 177.43 175.35 1nrf h ILE 503 N 1.05 1.53 -0.38 2.81 2.10 -0.99 -2.62 117.51 121.01 1nrf h ILE 503 Ca 0.26 -2.85 -0.03 0.00 1.08 0.00 0.00 64.86 63.32 1nrf h ILE 503 Cb 0.08 2.56 -0.02 0.00 -1.09 0.00 0.00 36.82 38.35 1nrf h ILE 503 CO -0.04 0.80 0.09 -0.07 -1.08 0.00 0.00 178.15 177.85 1nrf h LEU 504 N 0.00 0.51 -0.28 2.19 3.38 -0.45 -0.59 115.31 120.06 1nrf h LEU 504 Ca -0.01 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 1nrf h LEU 504 Cb 1.50 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1nrf h LEU 504 CO 0.11 0.52 -0.49 0.50 0.09 0.00 0.00 178.44 179.16 1nrf h LYS 505 N 0.54 0.83 -0.34 1.13 3.64 -1.23 -0.57 116.57 120.57 1nrf h LYS 505 Ca 0.13 -0.52 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 1nrf h LYS 505 Cb 0.22 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1nrf h LYS 505 CO -0.00 1.15 0.18 0.87 -2.27 0.00 0.00 179.45 179.38 1nrf h LYS 506 N 0.60 0.46 0.01 1.90 1.57 -1.04 0.19 116.57 120.25 1nrf h LYS 506 Ca 0.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1nrf h LYS 506 Cb 1.10 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1nrf h LYS 506 CO 0.11 0.35 -0.00 0.35 -0.57 0.00 0.00 179.45 179.69 1nrf h PHE 507 N 0.47 -0.01 -0.17 -1.35 3.04 -0.87 0.15 116.94 118.19 1nrf h PHE 507 Ca 0.12 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.10 1nrf h PHE 507 Cb 0.02 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 1nrf h PHE 507 CO 0.00 0.59 -0.02 -0.92 -2.02 0.00 0.00 178.31 175.94 1nrf h TYR 508 N -0.61 -0.04 0.00 0.41 3.20 -0.76 -2.15 116.97 117.02 1nrf h TYR 508 Ca -0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1nrf h TYR 508 Cb 0.60 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1nrf h TYR 508 CO 0.13 -0.04 0.00 -0.44 -1.64 0.00 0.00 178.16 176.17 1nrf h ASP 509 N 0.04 0.00 -4.47 -2.11 3.32 -0.72 -3.48 116.42 109.00 1nrf h ASP 509 Ca 0.08 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.89 1nrf h ASP 509 Cb 0.11 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.77 1nrf h ASP 509 CO -0.15 0.00 -0.52 -3.20 -1.72 0.00 0.00 179.24 173.65 1nrf n ASN 510 N -2.85 -2.69 0.01 6.45 4.05 0.28 -4.90 115.26 115.61 1nrf n ASN 510 Ca 0.03 -0.41 0.12 0.00 0.45 0.00 0.00 54.58 54.76 1nrf n ASN 510 Cb 0.42 -3.67 0.50 0.00 1.23 0.00 0.00 39.78 38.26 1nrf n ASN 510 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1nrf n GLU 511 N -3.25 0.03 0.00 1.20 1.02 0.14 -2.10 120.64 117.67 1nrf n GLU 511 Ca -0.15 0.11 0.14 0.00 -0.02 0.00 0.00 57.16 57.24 1nrf n GLU 511 Cb 0.60 -1.54 0.59 0.00 -0.02 0.00 0.00 31.44 31.07 1nrf n GLU 511 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1nrf n PHE 512 N -1.59 0.00 -3.73 -0.32 0.99 -1.25 -4.98 117.46 106.58 1nrf n PHE 512 Ca 0.06 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.21 1nrf n PHE 512 Cb 0.29 -0.07 0.02 0.00 -1.00 0.00 0.00 39.48 38.73 1nrf n PHE 512 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1nrf n ASP 513 N -0.44 -5.24 -4.95 4.37 2.03 -0.89 -5.00 116.55 106.43 1nrf n ASP 513 Ca 0.18 -0.95 -0.20 0.00 0.52 0.00 0.00 54.79 54.34 1nrf n ASP 513 Cb 0.29 -2.74 -0.01 0.00 -0.72 0.00 0.00 41.12 37.94 1nrf n ASP 513 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1nrf s PHE 514 N -3.29 3.02 0.04 -0.67 0.08 -1.26 -5.02 117.98 110.88 1nrf s PHE 514 Ca 0.29 -0.26 -0.35 0.00 0.12 0.00 0.00 56.93 56.73 1nrf s PHE 514 Cb -0.13 -1.96 -0.14 0.00 -0.57 0.00 0.00 43.02 40.23 1nrf s PHE 514 CO 0.88 0.02 1.66 1.63 -0.10 0.00 0.00 175.22 179.32 1nrf n LYS 515 N -1.57 1.96 -0.34 0.44 5.02 -1.26 -4.79 118.16 117.61 1nrf n LYS 515 Ca -0.00 0.71 0.23 0.00 -2.02 0.00 0.00 58.31 57.24 1nrf n LYS 515 Cb 0.59 -2.48 0.49 0.00 -0.02 0.00 0.00 35.03 33.61 1nrf n LYS 515 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1nrf h GLN 516 N 6.93 0.38 -0.79 1.97 4.15 -2.01 -1.12 115.11 124.62 1nrf h GLN 516 Ca -0.47 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 58.93 1nrf h GLN 516 Cb 1.27 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.84 1nrf h GLN 516 CO 0.90 0.25 0.48 1.03 -1.93 0.00 0.00 178.83 179.56 1nrf h SER 517 N 0.39 0.95 -0.02 -0.69 0.87 -2.00 -2.74 113.55 110.31 1nrf h SER 517 Ca 0.65 -0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.98 1nrf h SER 517 Cb 1.59 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1nrf h SER 517 CO -0.39 0.73 -0.54 0.78 -0.53 0.00 0.00 176.83 176.88 1nrf h ASN 518 N 1.08 0.67 -0.01 6.23 2.35 -1.56 -2.18 115.58 122.16 1nrf h ASN 518 Ca 0.28 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1nrf h ASN 518 Cb -0.04 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1nrf h ASN 518 CO -0.05 1.08 -0.08 0.40 -1.65 0.00 0.00 177.43 177.12 1nrf h ILE 519 N 0.47 0.79 -0.76 2.81 1.08 -1.42 -0.31 117.51 120.17 1nrf h ILE 519 Ca 0.01 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.53 1nrf h ILE 519 Cb 1.09 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 35.58 1nrf h ILE 519 CO 0.10 0.00 0.50 -0.33 -0.69 0.00 0.00 178.15 177.73 1nrf h GLU 520 N -0.14 0.82 -0.26 2.37 5.08 -1.43 0.64 114.58 121.66 1nrf h GLU 520 Ca 0.04 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 1nrf h GLU 520 Cb 0.18 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1nrf h GLU 520 CO -0.09 0.54 -0.02 1.15 -1.00 0.00 0.00 179.01 179.60 1nrf h THR 521 N 0.85 1.26 -0.07 1.13 2.02 -0.69 -1.70 112.91 115.72 1nrf h THR 521 Ca 0.32 -0.96 -0.09 0.00 0.77 0.00 0.00 66.41 66.45 1nrf h THR 521 Cb 0.18 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1nrf h THR 521 CO -0.10 0.30 -0.39 0.58 0.37 0.00 0.00 175.52 176.28 1nrf h VAL 522 N 0.25 1.30 -0.46 3.16 2.07 -0.57 -2.38 116.25 119.62 1nrf h VAL 522 Ca 0.07 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1nrf h VAL 522 Cb 0.45 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1nrf h VAL 522 CO 0.02 0.42 0.16 0.11 0.02 0.00 0.00 177.57 178.30 1nrf h LYS 523 N 0.12 0.71 -0.28 1.57 1.57 -0.64 -2.84 116.57 116.78 1nrf h LYS 523 Ca 0.01 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 1nrf h LYS 523 Cb 0.75 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1nrf h LYS 523 CO 0.06 0.67 -0.29 -0.44 -0.57 0.00 0.00 179.45 178.88 1nrf h ASP 524 N 0.61 0.58 -0.03 0.86 3.32 -1.11 -2.42 116.42 118.23 1nrf h ASP 524 Ca 0.15 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1nrf h ASP 524 Cb 0.24 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1nrf h ASP 524 CO -0.01 0.84 0.03 0.77 -1.72 0.00 0.00 179.24 179.15 1nrf h SER 525 N 0.49 0.00 -0.01 6.45 4.64 -1.19 -2.88 113.55 121.05 1nrf h SER 525 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1nrf h SER 525 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1nrf h SER 525 CO 0.06 0.00 -0.01 2.30 -0.87 0.00 0.00 176.83 178.31 1nrf n ILE 526 N -4.17 0.00 -2.02 0.95 -5.35 -1.13 -4.62 119.36 103.03 1nrf n ILE 526 Ca -0.02 -0.50 -0.42 0.00 -0.27 0.00 0.00 62.75 61.54 1nrf n ILE 526 Cb 0.12 1.22 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 1nrf n ILE 526 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1nrf s ARG 527 N -0.90 4.19 -0.23 6.28 3.52 -0.93 -1.80 118.95 129.08 1nrf s ARG 527 Ca 0.12 2.19 -0.16 0.00 -0.13 0.00 0.00 55.73 57.75 1nrf s ARG 527 Cb 0.09 -3.89 -0.11 0.00 -1.56 0.00 0.00 34.95 29.48 1nrf s ARG 527 CO 0.14 -0.81 -0.26 1.28 -0.81 0.00 0.00 175.30 174.84 1nrf n LEU 528 N 6.75 1.93 -4.12 -0.88 4.77 0.15 -4.96 117.00 120.64 1nrf n LEU 528 Ca 0.17 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.38 1nrf n LEU 528 Cb 0.42 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 1nrf n LEU 528 CO 0.62 0.22 0.03 -1.61 -1.33 0.00 0.00 177.39 175.32 1nrf s GLU 529 N -2.58 1.65 -0.23 3.23 2.02 -1.08 -5.01 118.70 116.70 1nrf s GLU 529 Ca -0.33 -1.66 -0.03 0.00 0.02 0.00 0.00 54.97 52.97 1nrf s GLU 529 Cb 0.10 0.39 0.12 0.00 0.10 0.00 0.00 34.13 34.84 1nrf s GLU 529 CO 0.47 -0.65 0.34 -2.00 0.02 0.00 0.00 175.26 173.44 1nrf s GLU 530 N -3.57 0.31 0.41 1.61 2.12 -1.26 -0.75 118.70 117.57 1nrf s GLU 530 Ca 0.32 0.47 0.06 0.00 0.36 0.00 0.00 54.97 56.18 1nrf s GLU 530 Cb 0.02 -0.64 -0.07 0.00 0.26 0.00 0.00 34.13 33.70 1nrf s GLU 530 CO 0.17 -0.64 0.01 -1.12 -0.54 0.00 0.00 175.26 173.14 1nrf s SER 531 N 2.50 3.78 0.00 -1.70 0.01 -0.15 -4.94 113.70 113.19 1nrf s SER 531 Ca 0.11 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1nrf s SER 531 Cb -0.15 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1nrf s SER 531 CO -0.15 -0.49 0.00 0.59 0.41 0.00 0.00 173.24 173.60 1nrf n ASN 532 N -0.97 0.00 -0.39 2.44 5.03 -1.26 0.93 115.26 121.04 1nrf n ASN 532 Ca -0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.39 1nrf n ASN 532 Cb 0.67 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.43 1nrf n ASN 532 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nrf n GLY 533 N 0.00 0.36 3.51 7.41 0.00 -1.26 -5.11 105.19 110.10 1nrf n GLY 533 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1nrf n GLY 533 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nrf s ARG 534 N 0.00 2.40 -0.18 1.61 3.00 0.27 -4.24 118.95 121.81 1nrf s ARG 534 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 55.73 54.92 1nrf s ARG 534 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 34.95 32.57 1nrf s ARG 534 CO 0.00 0.59 -0.07 0.08 0.00 0.00 0.00 175.30 175.91 1nrf s VAL 535 N -0.87 3.42 -0.20 3.52 1.01 -0.35 -0.98 120.40 125.94 1nrf s VAL 535 Ca 0.14 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 1nrf s VAL 535 Cb -0.11 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1nrf s VAL 535 CO 0.04 0.47 0.19 -0.22 0.00 0.00 0.00 175.10 175.57 1nrf s LEU 536 N 0.88 4.19 0.04 3.92 2.96 0.07 -1.14 118.68 129.60 1nrf s LEU 536 Ca -0.01 0.28 0.06 0.00 -0.22 0.00 0.00 54.13 54.24 1nrf s LEU 536 Cb -0.15 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 1nrf s LEU 536 CO 0.01 0.12 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.54 1nrf s SER 537 N 0.57 2.20 -0.06 3.68 0.01 -0.68 0.32 113.70 119.74 1nrf s SER 537 Ca 0.10 -0.48 -0.31 0.00 1.31 0.00 0.00 55.95 56.57 1nrf s SER 537 Cb -0.12 -0.18 0.12 0.00 0.21 0.00 0.00 66.02 66.05 1nrf s SER 537 CO 0.01 0.13 1.37 -0.83 0.41 0.00 0.00 173.24 174.33 1nrf s GLY 538 N -1.07 -0.37 -0.22 3.44 0.00 -0.74 -1.59 107.32 106.77 1nrf s GLY 538 Ca 0.06 0.59 -0.14 0.00 0.00 0.00 0.00 44.72 45.23 1nrf s GLY 538 CO 0.01 2.38 0.55 1.25 0.00 0.00 0.00 173.10 177.29 1nrf s LYS 539 N -2.11 0.57 0.55 2.90 2.36 -0.31 -4.79 119.74 118.91 1nrf s LYS 539 Ca 0.21 0.97 -0.05 0.00 -2.55 0.00 0.00 55.97 54.54 1nrf s LYS 539 Cb 0.04 0.10 -0.00 0.00 -1.05 0.00 0.00 37.83 36.92 1nrf s LYS 539 CO -0.04 -0.14 0.85 0.95 1.55 0.00 0.00 175.35 178.51 1nrf s THR 540 N 1.32 4.03 -0.16 3.43 -4.23 -1.26 -2.58 115.64 116.19 1nrf s THR 540 Ca -0.08 0.01 -0.13 0.00 -1.18 0.00 0.00 61.69 60.31 1nrf s THR 540 Cb -0.06 -3.57 0.05 0.00 1.34 0.00 0.00 72.50 70.26 1nrf s THR 540 CO -0.14 -0.56 0.42 -0.83 -0.54 0.00 0.00 174.62 172.98 1nrf s GLY 541 N -4.24 -0.32 -0.01 3.99 0.00 0.13 -3.57 107.32 103.29 1nrf s GLY 541 Ca 0.52 1.34 0.03 0.00 0.00 0.00 0.00 44.72 46.60 1nrf s GLY 541 CO 0.44 1.29 -0.09 -1.59 0.00 0.00 0.00 173.10 173.15 1nrf s THR 542 N 0.69 0.76 -0.01 0.90 2.01 -1.26 0.35 115.64 119.07 1nrf s THR 542 Ca -0.04 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 1nrf s THR 542 Cb -0.05 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1nrf s THR 542 CO -0.05 0.22 0.11 -0.44 -0.69 0.00 0.00 174.62 173.78 1nrf s SER 543 N -0.08 0.01 -0.36 3.53 0.01 -0.43 -4.70 113.70 111.68 1nrf s SER 543 Ca 0.01 -0.12 -0.17 0.00 1.31 0.00 0.00 55.95 56.99 1nrf s SER 543 Cb -0.05 0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.39 1nrf s SER 543 CO -0.00 -0.27 0.43 -0.69 0.41 0.00 0.00 173.24 173.11 1nrf s VAL 544 N -1.00 5.10 -0.94 3.43 1.01 -1.26 0.21 120.40 126.95 1nrf s VAL 544 Ca -0.11 0.07 0.23 0.00 0.00 0.00 0.00 61.98 62.17 1nrf s VAL 544 Cb -0.06 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1nrf s VAL 544 CO 0.01 -0.20 1.18 2.30 0.00 0.00 0.00 175.10 178.39 1nrf n ILE 545 N 5.34 0.03 0.00 2.22 -5.35 -0.78 -4.79 119.36 116.04 1nrf n ILE 545 Ca -0.07 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1nrf n ILE 545 Cb 0.49 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 1nrf n ILE 545 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1nrf n ASN 546 N -1.58 0.00 0.00 7.28 6.94 -1.21 -5.00 115.26 121.69 1nrf n ASN 546 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.60 1nrf n ASN 546 Cb 0.35 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 1nrf n ASN 546 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nrf n GLY 547 N 0.00 0.53 1.43 4.83 0.00 -1.26 -4.83 105.19 105.89 1nrf n GLY 547 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nrf n GLY 547 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nrf n GLU 548 N 0.00 0.89 -3.76 1.61 -0.58 -1.26 -4.60 120.64 112.94 1nrf n GLU 548 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 1nrf n GLU 548 Cb 0.00 -1.05 -0.16 0.00 -0.57 0.00 0.00 31.44 29.65 1nrf n GLU 548 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1nrf s LEU 549 N 0.00 1.51 0.27 -4.62 2.96 -1.26 -4.49 118.68 113.05 1nrf s LEU 549 Ca 0.00 -0.98 0.07 0.00 -0.22 0.00 0.00 54.13 53.00 1nrf s LEU 549 Cb 0.00 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 1nrf s LEU 549 CO 0.00 -0.31 0.23 -1.00 -1.32 0.00 0.00 176.35 173.95 1nrf s HIS 550 N 1.76 3.10 0.05 5.38 3.76 0.06 -1.86 115.29 127.54 1nrf s HIS 550 Ca -0.00 -0.14 0.07 0.00 -0.15 0.00 0.00 55.06 54.84 1nrf s HIS 550 Cb -0.17 -1.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 1nrf s HIS 550 CO -0.10 0.45 -0.19 0.00 -0.85 0.00 0.00 174.74 174.05 1nrf s ALA 551 N -2.15 2.56 0.02 -1.40 0.00 0.13 -1.51 121.76 119.41 1nrf s ALA 551 Ca 0.34 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1nrf s ALA 551 Cb -0.08 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1nrf s ALA 551 CO 0.26 0.57 -0.06 0.20 0.00 0.00 0.00 175.76 176.73 1nrf s GLY 552 N -1.46 0.34 0.05 0.00 0.00 -0.62 -1.32 107.32 104.31 1nrf s GLY 552 Ca 0.14 -0.47 0.07 0.00 0.00 0.00 0.00 44.72 44.46 1nrf s GLY 552 CO 0.05 -0.48 -0.19 -0.98 0.00 0.00 0.00 173.10 171.50 1nrf s TRP 553 N -0.78 1.63 -0.28 1.90 0.52 0.15 -0.54 118.94 121.55 1nrf s TRP 553 Ca -0.05 -0.38 0.00 0.00 0.02 0.00 0.00 56.10 55.69 1nrf s TRP 553 Cb -0.06 -0.95 0.16 0.00 -1.15 0.00 0.00 33.47 31.47 1nrf s TRP 553 CO -0.00 0.10 0.45 0.12 0.02 0.00 0.00 176.95 177.64 1nrf s PHE 554 N -0.90 -1.15 0.32 -1.98 5.36 -0.82 -0.69 117.98 118.13 1nrf s PHE 554 Ca 0.05 0.83 0.10 0.00 -0.96 0.00 0.00 56.93 56.95 1nrf s PHE 554 Cb -0.09 0.08 -0.06 0.00 -0.34 0.00 0.00 43.02 42.61 1nrf s PHE 554 CO 0.02 -0.89 -0.12 0.96 -1.46 0.00 0.00 175.22 173.74 1nrf s ILE 555 N 2.63 2.22 -5.00 3.12 -4.36 -1.06 -1.32 121.20 117.43 1nrf s ILE 555 Ca 0.13 -2.24 0.00 0.00 -0.26 0.00 0.00 60.65 58.27 1nrf s ILE 555 Cb -0.14 -2.54 0.00 0.00 1.25 0.00 0.00 42.46 41.03 1nrf s ILE 555 CO -0.23 -0.26 0.00 0.61 0.24 0.00 0.00 174.94 175.30 1nrf n GLY 556 N -0.73 -0.06 3.48 6.27 0.00 -0.62 -1.16 105.19 112.37 1nrf n GLY 556 Ca -0.05 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 1nrf n GLY 556 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nrf s TYR 557 N -3.02 0.04 -0.12 1.61 -0.85 -0.62 -0.96 117.35 113.43 1nrf s TYR 557 Ca 0.00 -0.39 0.03 0.00 -0.52 0.00 0.00 57.07 56.19 1nrf s TYR 557 Cb 0.00 0.27 0.01 0.00 0.38 0.00 0.00 41.96 42.62 1nrf s TYR 557 CO 0.00 -0.87 -0.22 0.08 -1.52 0.00 0.00 175.55 173.02 1nrf s VAL 558 N -3.90 2.00 -0.25 -3.49 1.01 0.14 -1.69 120.40 114.22 1nrf s VAL 558 Ca 0.12 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 1nrf s VAL 558 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1nrf s VAL 558 CO -0.02 0.54 0.09 -1.61 0.00 0.00 0.00 175.10 174.10 1nrf s GLU 559 N 0.63 3.74 0.30 2.72 2.02 -0.30 -0.43 118.70 127.37 1nrf s GLU 559 Ca -0.12 -0.44 0.03 0.00 0.02 0.00 0.00 54.97 54.46 1nrf s GLU 559 Cb -0.16 -3.36 0.03 0.00 0.10 0.00 0.00 34.13 30.74 1nrf s GLU 559 CO 0.03 -0.13 0.28 0.25 0.02 0.00 0.00 175.26 175.70 1nrf n THR 560 N 4.78 0.00 0.19 3.63 -2.24 0.37 -1.21 114.28 119.80 1nrf n THR 560 Ca -0.16 -1.13 0.06 0.00 -2.27 0.00 0.00 64.05 60.54 1nrf n THR 560 Cb 0.52 -0.38 0.36 0.00 -2.10 0.00 0.00 70.33 68.73 1nrf n THR 560 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nrf h ALA 561 N 0.60 1.05 0.00 6.98 0.00 -1.99 -3.33 119.26 122.56 1nrf h ALA 561 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nrf h ALA 561 Cb 0.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1nrf h ALA 561 CO 0.27 0.45 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 1nrf n ASP 562 N -3.59 0.62 -3.92 0.00 5.75 -1.26 -5.11 116.55 109.04 1nrf n ASP 562 Ca -0.01 -1.29 -0.09 0.00 -0.01 0.00 0.00 54.79 53.40 1nrf n ASP 562 Cb 0.48 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.53 1nrf n ASP 562 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1nrf s ASN 563 N -0.29 -0.15 -0.04 -1.12 2.47 -1.25 -4.94 114.94 109.62 1nrf s ASN 563 Ca 0.00 -0.78 -0.01 0.00 0.42 0.00 0.00 52.86 52.48 1nrf s ASN 563 Cb 0.00 0.60 0.03 0.00 -1.45 0.00 0.00 41.25 40.44 1nrf s ASN 563 CO 0.00 -1.15 0.08 -0.89 -3.72 0.00 0.00 177.10 171.42 1nrf s THR 564 N -3.97 -0.09 -0.17 -5.21 2.01 -1.26 -0.47 115.64 106.48 1nrf s THR 564 Ca 0.18 0.26 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 1nrf s THR 564 Cb -0.01 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1nrf s THR 564 CO 0.06 0.11 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.69 1nrf s PHE 565 N 1.42 2.98 -0.14 4.92 0.08 0.42 -3.03 117.98 124.64 1nrf s PHE 565 Ca -0.05 -0.49 -0.04 0.00 0.12 0.00 0.00 56.93 56.47 1nrf s PHE 565 Cb -0.12 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 1nrf s PHE 565 CO -0.04 -0.19 -0.00 -0.06 -0.10 0.00 0.00 175.22 174.83 1nrf s PHE 566 N 0.65 3.12 0.05 0.36 0.40 -0.82 0.27 117.98 122.00 1nrf s PHE 566 Ca -0.03 -0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1nrf s PHE 566 Cb -0.15 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 1nrf s PHE 566 CO 0.02 0.18 -0.01 -0.59 0.70 0.00 0.00 175.22 175.53 1nrf s PHE 567 N -0.08 0.43 -0.21 0.36 -0.71 -0.13 0.53 117.98 118.17 1nrf s PHE 567 Ca 0.04 -0.91 -0.12 0.00 -1.04 0.00 0.00 56.93 54.90 1nrf s PHE 567 Cb -0.13 -0.32 0.07 0.00 -1.21 0.00 0.00 43.02 41.43 1nrf s PHE 567 CO 0.02 -0.35 0.51 0.00 -1.34 0.00 0.00 175.22 174.05 1nrf s ALA 568 N -3.39 -1.33 -0.06 1.99 0.00 -0.19 -1.59 121.76 117.18 1nrf s ALA 568 Ca 0.02 1.84 0.04 0.00 0.00 0.00 0.00 51.96 53.86 1nrf s ALA 568 Cb 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.06 1nrf s ALA 568 CO -0.08 -0.30 -0.18 0.08 0.00 0.00 0.00 175.76 175.28 1nrf s VAL 569 N 1.48 1.54 -0.06 0.00 1.01 -0.43 -1.01 120.40 122.92 1nrf s VAL 569 Ca -0.10 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1nrf s VAL 569 Cb -0.07 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1nrf s VAL 569 CO -0.15 0.44 -0.13 -2.28 0.00 0.00 0.00 175.10 172.98 1nrf s HIS 570 N 0.26 1.50 0.29 5.22 2.46 -1.00 -1.94 115.29 122.08 1nrf s HIS 570 Ca -0.10 -0.51 0.04 0.00 0.47 0.00 0.00 55.06 54.96 1nrf s HIS 570 Cb -0.14 -1.07 -0.06 0.00 -0.13 0.00 0.00 32.58 31.18 1nrf s HIS 570 CO 0.04 -0.24 0.02 0.96 -2.47 0.00 0.00 174.74 173.05 1nrf s ILE 571 N 0.47 1.25 -0.18 0.89 -4.36 0.30 -0.33 121.20 119.23 1nrf s ILE 571 Ca -0.11 -2.03 -0.08 0.00 -0.26 0.00 0.00 60.65 58.16 1nrf s ILE 571 Cb -0.14 -2.62 0.08 0.00 1.25 0.00 0.00 42.46 41.02 1nrf s ILE 571 CO 0.03 -0.14 0.41 -1.10 0.24 0.00 0.00 174.94 174.39 1nrf s GLN 572 N -3.85 0.35 0.00 0.37 -0.21 0.10 -1.60 119.66 114.82 1nrf s GLN 572 Ca 0.33 0.93 0.00 0.00 0.02 0.00 0.00 55.36 56.64 1nrf s GLN 572 Cb 0.07 0.17 0.00 0.00 1.00 0.00 0.00 33.01 34.25 1nrf s GLN 572 CO 0.13 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 1nrf n GLY 573 N 4.94 1.42 0.97 3.09 0.00 -0.57 -1.47 105.19 113.57 1nrf n GLY 573 Ca -0.14 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.18 1nrf n GLY 573 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1nrf n GLU 574 N 0.00 2.22 -2.43 1.61 0.28 -1.25 -0.76 120.64 120.31 1nrf n GLU 574 Ca 0.00 -1.89 -0.43 0.00 -0.16 0.00 0.00 57.16 54.68 1nrf n GLU 574 Cb 0.00 -1.42 -0.02 0.00 1.43 0.00 0.00 31.44 31.43 1nrf n GLU 574 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1nrf s LYS 575 N -1.33 4.30 0.12 3.44 -0.14 -1.26 -4.85 119.74 120.01 1nrf s LYS 575 Ca 0.36 1.68 -0.20 0.00 -1.36 0.00 0.00 55.97 56.45 1nrf s LYS 575 Cb 0.19 -3.64 -0.06 0.00 -1.68 0.00 0.00 37.83 32.63 1nrf s LYS 575 CO 0.25 -0.56 1.76 0.00 -0.76 0.00 0.00 175.35 176.04 1nrf h ARG 576 N 7.78 0.20 -3.60 1.68 2.47 -1.96 -3.20 114.38 117.75 1nrf h ARG 576 Ca -0.31 -0.01 -0.78 0.00 -1.26 0.00 0.00 59.98 57.62 1nrf h ARG 576 Cb 1.14 -0.04 -0.22 0.00 -1.65 0.00 0.00 29.97 29.19 1nrf h ARG 576 CO 0.92 0.13 1.20 0.00 0.56 0.00 0.00 179.97 182.78 1nrf n ALA 577 N -2.18 4.77 -0.07 0.04 0.00 -1.26 -4.80 120.51 117.02 1nrf n ALA 577 Ca -0.03 -4.52 0.01 0.00 0.00 0.00 0.00 53.44 48.89 1nrf n ALA 577 Cb 0.05 -2.70 0.30 0.00 0.00 0.00 0.00 19.45 17.10 1nrf n ALA 577 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nrf h ALA 578 N 6.12 1.46 -0.95 0.00 0.00 -1.81 -2.35 119.26 121.74 1nrf h ALA 578 Ca 0.28 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1nrf h ALA 578 Cb 0.72 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1nrf h ALA 578 CO 1.34 0.42 0.58 0.78 0.00 0.00 0.00 179.25 182.37 1nrf h GLY 579 N 0.82 1.37 0.84 0.00 0.00 -1.79 0.15 103.07 104.46 1nrf h GLY 579 Ca 0.17 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 1nrf h GLY 579 CO -0.02 0.55 -0.29 1.76 0.00 0.00 0.00 176.54 178.54 1nrf h SER 580 N 1.30 0.55 -0.60 0.19 0.02 -1.81 -2.43 113.55 110.77 1nrf h SER 580 Ca 0.34 -0.53 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1nrf h SER 580 Cb -0.07 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1nrf h SER 580 CO -0.07 0.98 0.25 0.28 -1.14 0.00 0.00 176.83 177.13 1nrf h SER 581 N 0.14 0.85 0.05 3.07 0.02 -1.18 -0.08 113.55 116.42 1nrf h SER 581 Ca 0.01 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 1nrf h SER 581 Cb 0.87 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1nrf h SER 581 CO 0.07 0.77 -0.37 0.00 -1.14 0.00 0.00 176.83 176.15 1nrf h ALA 582 N 1.36 0.99 -0.09 3.77 0.00 -0.95 -0.49 119.26 123.85 1nrf h ALA 582 Ca 0.21 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1nrf h ALA 582 Cb 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nrf h ALA 582 CO -0.02 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 1nrf h ALA 583 N 1.24 0.12 -0.71 0.00 0.00 -0.88 -1.06 119.26 117.96 1nrf h ALA 583 Ca 0.04 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.80 1nrf h ALA 583 Cb 0.82 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1nrf h ALA 583 CO 0.07 -0.15 0.40 0.93 0.00 0.00 0.00 179.25 180.50 1nrf h GLU 584 N -0.16 0.70 0.45 0.00 5.08 -0.87 0.79 114.58 120.57 1nrf h GLU 584 Ca 0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1nrf h GLU 584 Cb 0.43 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1nrf h GLU 584 CO 0.01 0.46 -0.22 0.82 -1.00 0.00 0.00 179.01 179.08 1nrf h ILE 585 N 0.72 0.55 -0.82 3.13 2.04 -0.96 -0.77 117.51 121.39 1nrf h ILE 585 Ca 0.33 -0.15 0.13 0.00 1.00 0.00 0.00 64.86 66.17 1nrf h ILE 585 Cb 0.23 0.62 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 1nrf h ILE 585 CO -0.20 0.03 0.43 0.00 0.00 0.00 0.00 178.15 178.40 1nrf h ALA 586 N -0.18 1.21 -0.50 1.87 0.00 -0.85 -1.22 119.26 119.60 1nrf h ALA 586 Ca -0.06 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1nrf h ALA 586 Cb 0.51 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1nrf h ALA 586 CO 0.10 -0.06 -0.03 -0.07 0.00 0.00 0.00 179.25 179.20 1nrf h LEU 587 N 0.64 0.83 -0.29 0.00 4.07 -0.63 0.26 115.31 120.19 1nrf h LEU 587 Ca 0.44 -0.22 -0.11 0.00 0.08 0.00 0.00 57.88 58.06 1nrf h LEU 587 Cb 0.57 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1nrf h LEU 587 CO -0.33 0.91 -0.25 0.77 -1.08 0.00 0.00 178.44 178.46 1nrf h SER 588 N 0.79 0.73 -0.52 -0.43 4.64 -0.41 -0.76 113.55 117.59 1nrf h SER 588 Ca 0.15 -0.46 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 1nrf h SER 588 Cb 0.51 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1nrf h SER 588 CO 0.03 1.03 0.14 0.40 -0.87 0.00 0.00 176.83 177.56 1nrf h ILE 589 N 0.43 1.24 -0.93 0.95 2.04 -1.04 0.35 117.51 120.55 1nrf h ILE 589 Ca 0.05 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1nrf h ILE 589 Cb 0.81 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 1nrf h ILE 589 CO 0.06 0.31 0.61 -0.07 0.00 0.00 0.00 178.15 179.07 1nrf h LEU 590 N 0.73 1.05 -0.52 1.44 4.07 -0.34 -0.52 115.31 121.22 1nrf h LEU 590 Ca 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1nrf h LEU 590 Cb 0.32 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1nrf h LEU 590 CO -0.00 0.75 0.00 -0.78 -1.08 0.00 0.00 178.44 177.33 1nrf h ASP 591 N 1.23 0.00 0.56 -0.43 1.82 -0.75 -0.83 116.42 118.02 1nrf h ASP 591 Ca 0.35 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.76 1nrf h ASP 591 Cb -0.10 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 39.91 1nrf h ASP 591 CO -0.08 0.00 -1.03 0.50 -1.61 0.00 0.00 179.24 177.02 1nrf h LYS 592 N 0.00 0.27 -0.63 0.28 1.63 0.69 -3.13 116.57 115.68 1nrf h LYS 592 Ca 0.00 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1nrf h LYS 592 Cb 0.75 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1nrf h LYS 592 CO 0.00 1.09 0.00 1.63 -3.45 0.00 0.00 179.45 178.72 1nrf n LYS 593 N -3.62 4.20 -1.45 1.90 5.02 -0.88 -4.93 118.16 118.41 1nrf n LYS 593 Ca -0.06 -2.78 -0.16 0.00 -2.02 0.00 0.00 58.31 53.29 1nrf n LYS 593 Cb 0.90 -2.08 -0.07 0.00 -0.02 0.00 0.00 35.03 33.76 1nrf n LYS 593 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nrf n GLY 594 N 0.74 1.53 0.14 0.72 0.00 -1.14 -4.85 105.19 102.32 1nrf n GLY 594 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 1nrf n GLY 594 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1nrf h ILE 595 N 0.00 1.36 -3.02 -0.61 2.04 -1.44 -3.44 117.51 112.39 1nrf h ILE 595 Ca -0.33 -2.72 -0.43 0.00 1.00 0.00 0.00 64.86 62.39 1nrf h ILE 595 Cb 1.18 2.86 -0.40 0.00 -0.74 0.00 0.00 36.82 39.72 1nrf h ILE 595 CO 0.48 0.81 -0.73 -0.47 0.00 0.00 0.00 178.15 178.24 1nrf s TYR 596 N -2.79 0.11 -1.03 1.37 5.04 -1.08 -5.00 117.35 113.97 1nrf s TYR 596 Ca -0.07 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.41 1nrf s TYR 596 Cb 0.06 -0.61 0.00 0.00 0.35 0.00 0.00 41.96 41.75 1nrf s TYR 596 CO 0.92 -0.47 0.26 -2.30 -1.34 0.00 0.00 175.55 172.61