#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qje n THR 343 N 0.00 3.13 -5.27 -0.72 -2.24 -1.26 -5.02 114.28 102.90 2qje n THR 343 Ca 0.00 -5.09 -0.31 0.00 -2.27 0.00 0.00 64.05 56.38 2qje n THR 343 Cb 0.00 -1.32 -0.16 0.00 -2.10 0.00 0.00 70.33 66.74 2qje n THR 343 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qje s ARG 344 N -3.70 2.45 -0.13 -0.78 0.52 -1.26 -4.87 118.95 111.18 2qje s ARG 344 Ca 0.48 -0.91 -0.00 0.00 -0.52 0.00 0.00 55.73 54.78 2qje s ARG 344 Cb 0.36 -2.14 0.03 0.00 0.52 0.00 0.00 34.95 33.72 2qje s ARG 344 CO -0.21 0.43 -0.08 0.08 0.02 0.00 0.00 175.30 175.53 2qje s VAL 345 N -0.28 1.17 -0.35 3.52 1.01 -1.16 -4.99 120.40 119.32 2qje s VAL 345 Ca -0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 2qje s VAL 345 Cb -0.13 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.06 2qje s VAL 345 CO 0.03 0.33 0.82 -0.69 0.00 0.00 0.00 175.10 175.58 2qje s VAL 346 N 1.64 4.72 0.25 2.92 1.01 -1.26 -2.63 120.40 127.06 2qje s VAL 346 Ca 0.04 1.05 -0.21 0.00 0.00 0.00 0.00 61.98 62.86 2qje s VAL 346 Cb -0.13 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 2qje s VAL 346 CO -0.09 -0.39 0.77 0.86 0.00 0.00 0.00 175.10 176.25 2qje s TRP 347 N 3.13 3.63 -0.30 5.22 -0.11 -0.14 -0.01 118.94 130.37 2qje s TRP 347 Ca 0.33 1.46 -0.10 0.00 1.22 0.00 0.00 56.10 59.02 2qje s TRP 347 Cb -0.13 -2.68 -0.02 0.00 -1.50 0.00 0.00 33.47 29.14 2qje s TRP 347 CO 0.16 0.29 0.15 0.00 -4.62 0.00 0.00 176.95 172.93 2qje s ALA 349 N 1.64 3.85 -0.43 0.00 0.00 0.34 -4.75 121.76 122.42 2qje s ALA 349 Ca 0.05 -0.58 -0.07 0.00 0.00 0.00 0.00 51.96 51.36 2qje s ALA 349 Cb -0.17 -2.05 0.10 0.00 0.00 0.00 0.00 23.12 21.00 2qje s ALA 349 CO 0.07 0.64 0.26 0.08 0.00 0.00 0.00 175.76 176.81 2qje s VAL 350 N -1.23 3.90 0.00 0.00 1.01 -1.26 -1.46 120.40 121.35 2qje s VAL 350 Ca 0.25 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.53 2qje s VAL 350 Cb -0.13 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2qje s VAL 350 CO 0.14 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.23 2qje n GLY 351 N 4.81 1.90 0.20 4.51 0.00 -0.39 -4.47 105.19 111.76 2qje n GLY 351 Ca -0.07 -1.94 0.02 0.00 0.00 0.00 0.00 46.02 44.02 2qje n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qje h PRO 352 N 0.00 0.11 -0.19 1.61 0.13 -1.94 -2.31 132.00 129.41 2qje h PRO 352 Ca 0.00 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.92 2qje h PRO 352 Cb 0.00 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 2qje h PRO 352 CO 0.00 0.42 -0.57 0.93 -0.23 0.00 0.00 178.00 178.55 2qje h GLU 353 N 0.10 0.59 -0.04 0.86 5.08 -1.97 -1.39 114.58 117.80 2qje h GLU 353 Ca 0.01 -0.38 -0.17 0.00 -1.00 0.00 0.00 59.36 57.82 2qje h GLU 353 Cb 0.61 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2qje h GLU 353 CO 0.04 0.99 -0.72 0.93 -1.00 0.00 0.00 179.01 179.26 2qje h GLU 354 N 0.45 0.24 -0.25 2.33 5.08 -1.76 -2.41 114.58 118.25 2qje h GLU 354 Ca 0.00 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2qje h GLU 354 Cb 1.13 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2qje h GLU 354 CO 0.11 0.86 0.14 0.37 -1.00 0.00 0.00 179.01 179.48 2qje h GLN 355 N 0.16 0.27 -0.06 2.33 4.15 -1.28 0.59 115.11 121.27 2qje h GLN 355 Ca -0.02 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.40 2qje h GLN 355 Cb 1.27 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.87 2qje h GLN 355 CO 0.11 0.18 -0.08 -0.22 -1.93 0.00 0.00 178.83 176.89 2qje h LYS 356 N 0.28 -0.11 -0.25 1.69 3.64 -1.14 -0.52 116.57 120.16 2qje h LYS 356 Ca 0.10 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2qje h LYS 356 Cb 0.01 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2qje h LYS 356 CO -0.06 -0.07 -0.04 -0.22 -2.27 0.00 0.00 179.45 176.79 2qje h LYS 357 N -0.11 0.39 -0.49 1.90 3.64 -1.13 -2.63 116.57 118.15 2qje h LYS 357 Ca 0.05 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 2qje h LYS 357 Cb 0.19 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2qje h LYS 357 CO -0.13 0.45 -0.18 0.00 -2.27 0.00 0.00 179.45 177.33 2qje h GLN 359 N 0.84 1.04 -0.43 0.00 4.20 -0.75 0.21 115.11 120.21 2qje h GLN 359 Ca 0.12 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2qje h GLN 359 Cb 0.75 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2qje h GLN 359 CO 0.06 0.82 0.22 1.96 -0.67 0.00 0.00 178.83 181.22 2qje h GLN 360 N 1.03 0.62 -0.59 1.46 4.20 -1.38 -0.44 115.11 120.01 2qje h GLN 360 Ca 0.25 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 2qje h GLN 360 Cb 0.15 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2qje h GLN 360 CO -0.03 0.53 0.19 2.35 -0.67 0.00 0.00 178.83 181.20 2qje h TRP 361 N 0.56 0.94 -0.23 2.96 7.01 -1.08 -1.55 115.95 124.57 2qje h TRP 361 Ca 0.15 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 2qje h TRP 361 Cb 0.10 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 2qje h TRP 361 CO -0.01 0.78 0.14 1.03 -2.79 0.00 0.00 178.44 177.58 2qje h SER 362 N 0.83 0.27 0.19 2.65 0.87 -0.28 -0.38 113.55 117.70 2qje h SER 362 Ca 0.19 -0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2qje h SER 362 Cb 0.27 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.13 2qje h SER 362 CO -0.01 0.23 -0.40 -0.61 -0.53 0.00 0.00 176.83 175.51 2qje h GLN 363 N 0.29 -0.66 0.00 2.24 4.15 -0.90 -0.94 115.11 119.28 2qje h GLN 363 Ca 0.08 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 2qje h GLN 363 Cb 0.01 0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 2qje h GLN 363 CO -0.02 -0.44 -0.01 1.96 -1.93 0.00 0.00 178.83 178.40 2qje h GLN 364 N -0.68 0.00 -0.66 1.69 1.08 -1.09 -2.17 115.11 113.27 2qje h GLN 364 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2qje h GLN 364 Cb 0.68 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.11 2qje h GLN 364 CO -0.19 0.01 0.00 -1.13 -0.95 0.00 0.00 178.83 176.57 2qje n SER 365 N -3.15 3.82 -1.90 1.46 3.41 -0.17 -4.89 113.62 112.20 2qje n SER 365 Ca -0.02 -2.13 -0.18 0.00 -0.26 0.00 0.00 58.87 56.27 2qje n SER 365 Cb 0.13 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 2qje n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qje n GLY 366 N 1.40 0.27 2.28 5.00 0.00 -0.82 -1.58 105.19 111.75 2qje n GLY 366 Ca 0.23 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 2qje n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qje n GLN 367 N -2.68 -1.12 0.21 1.61 6.02 -0.40 -4.85 117.38 116.18 2qje n GLN 367 Ca -0.21 0.71 0.14 0.00 -0.01 0.00 0.00 57.00 57.63 2qje n GLN 367 Cb 0.65 -4.98 0.46 0.00 1.02 0.00 0.00 30.24 27.39 2qje n GLN 367 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2qje h ASN 368 N 0.00 0.00 -3.48 1.08 2.35 -1.53 -3.41 115.58 110.59 2qje h ASN 368 Ca -0.33 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 54.93 2qje h ASN 368 Cb 1.22 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 39.26 2qje h ASN 368 CO 0.40 0.00 -0.81 -0.69 -1.65 0.00 0.00 177.43 174.68 2qje s VAL 369 N -3.40 1.01 0.47 2.81 1.01 -1.26 -3.01 120.40 118.04 2qje s VAL 369 Ca 0.05 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2qje s VAL 369 Cb 0.08 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2qje s VAL 369 CO 0.56 0.32 0.04 0.42 0.00 0.00 0.00 175.10 176.45 2qje s THR 370 N 0.64 1.07 0.04 3.92 -4.23 -1.08 -4.21 115.64 111.80 2qje s THR 370 Ca -0.13 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.44 2qje s THR 370 Cb -0.15 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2qje s THR 370 CO 0.03 0.00 -0.18 0.00 -0.54 0.00 0.00 174.62 173.93 2qje s ALA 372 N -0.83 1.70 -0.04 0.00 0.00 -0.26 -4.94 121.76 117.39 2qje s ALA 372 Ca 0.05 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 51.12 2qje s ALA 372 Cb -0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2qje s ALA 372 CO 0.02 0.40 -0.20 0.99 0.00 0.00 0.00 175.76 176.97 2qje s THR 373 N -0.60 1.61 0.18 0.00 2.01 -1.26 -0.51 115.64 117.07 2qje s THR 373 Ca 0.08 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.30 2qje s THR 373 Cb -0.08 -1.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 2qje s THR 373 CO 0.00 0.46 -0.11 0.00 -0.69 0.00 0.00 174.62 174.28 2qje s ALA 374 N -0.15 1.70 -0.19 7.40 0.00 -0.54 -4.96 121.76 125.02 2qje s ALA 374 Ca -0.00 -1.58 0.17 0.00 0.00 0.00 0.00 51.96 50.55 2qje s ALA 374 Cb -0.11 0.02 0.17 0.00 0.00 0.00 0.00 23.12 23.20 2qje s ALA 374 CO 0.02 -0.04 1.50 0.77 0.00 0.00 0.00 175.76 178.00 2qje h SER 375 N 2.67 0.00 -4.82 0.00 0.02 -1.95 -1.03 113.55 108.44 2qje h SER 375 Ca -0.37 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.37 2qje h SER 375 Cb 1.20 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.60 2qje h SER 375 CO 0.63 0.39 -0.68 0.42 -1.14 0.00 0.00 176.83 176.45 2qje s THR 376 N -3.05 0.52 0.37 -2.27 -4.23 -1.26 -4.53 115.64 101.20 2qje s THR 376 Ca 0.04 -1.91 0.07 0.00 -1.18 0.00 0.00 61.69 58.71 2qje s THR 376 Cb 0.07 -1.75 0.18 0.00 1.34 0.00 0.00 72.50 72.34 2qje s THR 376 CO 0.72 -0.80 1.93 0.74 -0.54 0.00 0.00 174.62 176.68 2qje h THR 377 N 2.95 1.17 -0.38 3.99 2.02 -1.91 -2.22 112.91 118.54 2qje h THR 377 Ca -0.35 -0.64 -0.10 0.00 0.77 0.00 0.00 66.41 66.09 2qje h THR 377 Cb 1.17 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2qje h THR 377 CO 0.64 0.22 -0.18 0.44 0.37 0.00 0.00 175.52 177.01 2qje h ASP 378 N 0.42 0.73 0.03 4.18 3.32 -1.96 -1.66 116.42 121.47 2qje h ASP 378 Ca 0.10 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.77 2qje h ASP 378 Cb 0.25 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2qje h ASP 378 CO 0.00 0.91 -0.45 0.44 -1.72 0.00 0.00 179.24 178.42 2qje h ASP 379 N 0.64 0.54 -0.72 6.45 3.32 -1.84 -2.38 116.42 122.44 2qje h ASP 379 Ca 0.10 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 2qje h ASP 379 Cb 0.66 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 2qje h ASP 379 CO 0.05 0.92 0.29 0.00 -1.72 0.00 0.00 179.24 178.77 2qje h ILE 381 N 1.03 1.20 -0.33 0.00 2.04 -1.15 -1.47 117.51 118.83 2qje h ILE 381 Ca 0.24 -0.43 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 2qje h ILE 381 Cb 0.21 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2qje h ILE 381 CO -0.02 0.21 -0.23 0.58 0.00 0.00 0.00 178.15 178.69 2qje h VAL 382 N 0.99 1.29 -0.65 1.67 2.07 -0.82 -2.02 116.25 118.78 2qje h VAL 382 Ca 0.26 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 2qje h VAL 382 Cb -0.05 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2qje h VAL 382 CO -0.05 0.44 0.37 -0.07 0.02 0.00 0.00 177.57 178.28 2qje h LEU 383 N 0.49 0.78 -0.74 2.57 3.38 -0.64 -1.00 115.31 120.15 2qje h LEU 383 Ca 0.06 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2qje h LEU 383 Cb 0.78 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2qje h LEU 383 CO 0.06 0.62 -0.30 0.58 0.09 0.00 0.00 178.44 179.49 2qje h VAL 384 N 0.89 1.28 -0.37 1.22 2.07 -1.13 0.15 116.25 120.36 2qje h VAL 384 Ca 0.23 -1.41 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 2qje h VAL 384 Cb -0.00 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2qje h VAL 384 CO -0.04 0.46 -0.12 -0.07 0.02 0.00 0.00 177.57 177.81 2qje h LEU 385 N 0.53 0.65 -0.54 2.57 3.38 -0.64 -2.53 115.31 118.73 2qje h LEU 385 Ca 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2qje h LEU 385 Cb 0.79 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2qje h LEU 385 CO 0.06 0.80 -0.14 0.11 0.09 0.00 0.00 178.44 179.36 2qje h LYS 386 N 0.60 0.00 0.00 1.13 1.57 -0.98 -3.47 116.57 115.42 2qje h LYS 386 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2qje h LYS 386 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2qje h LYS 386 CO 0.03 0.14 0.00 0.41 -0.57 0.00 0.00 179.45 179.46 2qje n GLY 387 N 0.70 0.79 0.10 3.86 0.00 -0.66 -4.96 105.19 105.01 2qje n GLY 387 Ca 0.02 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.98 2qje n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qje h GLU 388 N 1.62 0.00 -4.72 1.61 5.08 -0.98 -3.46 114.58 113.73 2qje h GLU 388 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2qje h GLU 388 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 2qje h GLU 388 CO 0.00 0.00 -0.72 0.00 -1.00 0.00 0.00 179.01 177.29 2qje s ALA 389 N -3.24 0.86 -0.24 3.43 0.00 -1.01 -4.94 121.76 116.62 2qje s ALA 389 Ca 0.04 -1.07 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 2qje s ALA 389 Cb 0.11 0.07 -0.16 0.00 0.00 0.00 0.00 23.12 23.14 2qje s ALA 389 CO 0.74 -0.09 -0.08 -0.25 0.00 0.00 0.00 175.76 176.08 2qje n ASP 390 N 0.74 1.95 -3.29 0.00 8.00 0.99 -4.04 116.55 120.90 2qje n ASP 390 Ca -0.18 0.29 -0.11 0.00 0.71 0.00 0.00 54.79 55.51 2qje n ASP 390 Cb 0.57 -0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 40.83 2qje n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qje s ALA 391 N -2.47 -0.09 -0.13 2.24 0.00 -1.14 -4.11 121.76 116.05 2qje s ALA 391 Ca -0.33 -1.05 -0.32 0.00 0.00 0.00 0.00 51.96 50.26 2qje s ALA 391 Cb 0.10 0.94 0.13 0.00 0.00 0.00 0.00 23.12 24.29 2qje s ALA 391 CO 0.57 -0.89 1.09 -0.48 0.00 0.00 0.00 175.76 176.04 2qje s LEU 392 N -3.12 -0.23 -0.07 0.00 2.34 -1.20 -1.21 118.68 115.18 2qje s LEU 392 Ca 0.22 0.04 -0.21 0.00 0.06 0.00 0.00 54.13 54.25 2qje s LEU 392 Cb -0.03 1.64 -0.04 0.00 -0.56 0.00 0.00 46.19 47.20 2qje s LEU 392 CO 0.14 -0.37 0.58 0.21 -1.06 0.00 0.00 176.35 175.86 2qje s ASN 393 N -2.12 6.86 0.04 1.48 2.47 -1.26 -1.94 114.94 120.46 2qje s ASN 393 Ca 0.07 1.03 0.06 0.00 0.42 0.00 0.00 52.86 54.44 2qje s ASN 393 Cb -0.01 -2.35 -0.02 0.00 -1.45 0.00 0.00 41.25 37.42 2qje s ASN 393 CO -0.06 -0.02 -0.18 -0.76 -3.72 0.00 0.00 177.10 172.36 2qje s LEU 394 N 0.51 2.16 0.55 3.21 1.43 0.16 -4.91 118.68 121.78 2qje s LEU 394 Ca 0.31 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 2qje s LEU 394 Cb -0.17 -0.84 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 2qje s LEU 394 CO 0.15 0.12 1.15 -0.62 0.23 0.00 0.00 176.35 177.38 2qje s ASP 395 N -1.11 5.60 0.39 2.29 2.15 -1.26 -0.96 116.67 123.77 2qje s ASP 395 Ca 0.05 2.24 0.20 0.00 0.43 0.00 0.00 52.55 55.47 2qje s ASP 395 Cb -0.08 -2.59 1.16 0.00 -0.30 0.00 0.00 42.92 41.11 2qje s ASP 395 CO 0.01 -1.31 1.71 1.23 -0.17 0.00 0.00 175.17 176.64 2qje h GLY 396 N 1.14 1.49 1.61 2.66 0.00 -1.81 0.07 103.07 108.24 2qje h GLY 396 Ca -0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 2qje h GLY 396 CO 0.57 -0.29 0.12 -1.33 0.00 0.00 0.00 176.54 175.61 2qje h GLY 397 N 0.32 0.54 1.66 4.60 0.00 -1.90 -2.05 103.07 106.24 2qje h GLY 397 Ca 0.69 -0.25 -0.18 0.00 0.00 0.00 0.00 47.33 47.58 2qje h GLY 397 CO -0.41 0.24 -1.02 -0.97 0.00 0.00 0.00 176.54 174.39 2qje h TYR 398 N 0.50 0.00 -0.40 5.60 0.05 -1.17 -3.17 116.97 118.38 2qje h TYR 398 Ca 0.12 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 2qje h TYR 398 Cb 0.14 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 2qje h TYR 398 CO 0.01 0.76 0.25 0.82 -1.05 0.00 0.00 178.16 178.94 2qje h ILE 399 N 0.00 1.11 -0.35 -2.88 2.04 -0.71 0.46 117.51 117.19 2qje h ILE 399 Ca -0.08 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 2qje h ILE 399 Cb 1.64 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 2qje h ILE 399 CO 0.09 0.12 -0.13 0.22 0.00 0.00 0.00 178.15 178.44 2qje h TYR 400 N 0.55 0.80 0.05 1.37 3.20 -1.47 0.54 116.97 122.01 2qje h TYR 400 Ca 0.15 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2qje h TYR 400 Cb -0.03 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.05 2qje h TYR 400 CO 0.00 0.89 -0.02 1.15 -1.64 0.00 0.00 178.16 178.53 2qje h THR 401 N 0.49 1.04 -0.68 1.81 2.02 -1.06 -2.32 112.91 114.20 2qje h THR 401 Ca 0.08 -0.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 2qje h THR 401 Cb 0.66 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 2qje h THR 401 CO 0.04 0.07 0.19 0.00 0.37 0.00 0.00 175.52 176.20 2qje h ALA 402 N 0.75 1.06 -0.86 6.16 0.00 -0.15 -3.05 119.26 123.17 2qje h ALA 402 Ca -0.01 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2qje h ALA 402 Cb 0.17 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2qje h ALA 402 CO 0.01 0.63 0.53 0.78 0.00 0.00 0.00 179.25 181.21 2qje h GLY 403 N 1.07 1.31 2.00 0.00 0.00 0.31 -0.55 103.07 107.21 2qje h GLY 403 Ca 0.22 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 2qje h GLY 403 CO -0.00 0.26 -0.19 0.50 0.00 0.00 0.00 176.54 177.10 2qje h LYS 404 N 0.97 0.00 -0.06 4.80 1.57 -1.32 -2.50 116.57 120.03 2qje h LYS 404 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2qje h LYS 404 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2qje h LYS 404 CO -0.18 0.19 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 2qje n GLY 406 N 1.11 0.86 3.88 0.00 0.00 -0.85 -5.07 105.19 105.12 2qje n GLY 406 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2qje n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qje s LEU 407 N 0.00 3.84 0.11 0.99 1.43 -0.63 -4.24 118.68 120.18 2qje s LEU 407 Ca 0.00 1.06 0.08 0.00 -1.03 0.00 0.00 54.13 54.24 2qje s LEU 407 Cb 0.00 -3.94 -0.04 0.00 0.03 0.00 0.00 46.19 42.25 2qje s LEU 407 CO 0.00 -0.39 -0.19 0.68 0.23 0.00 0.00 176.35 176.68 2qje s VAL 408 N -2.37 1.66 0.24 -1.59 -7.23 0.08 -4.15 120.40 107.05 2qje s VAL 408 Ca 0.50 -1.61 -0.30 0.00 -1.81 0.00 0.00 61.98 58.76 2qje s VAL 408 Cb -0.10 -1.57 -0.09 0.00 0.56 0.00 0.00 36.38 35.18 2qje s VAL 408 CO 0.32 -0.15 1.17 -2.16 -0.31 0.00 0.00 175.10 173.98 2qje s PRO 409 N -2.11 4.54 -0.08 4.82 0.04 -1.26 -1.96 135.00 138.99 2qje s PRO 409 Ca 0.08 1.89 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 2qje s PRO 409 Cb -0.09 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2qje s PRO 409 CO 0.04 0.03 -0.15 0.28 0.04 0.00 0.00 177.00 177.24 2qje n VAL 410 N 1.74 0.95 -3.96 -0.36 0.31 0.69 -4.94 118.33 112.76 2qje n VAL 410 Ca 0.01 0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 2qje n VAL 410 Cb 0.44 -1.77 -0.11 0.00 -0.91 0.00 0.00 33.84 31.50 2qje n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2qje s LEU 411 N -6.96 2.12 0.11 7.52 1.43 -1.24 -4.40 118.68 117.26 2qje s LEU 411 Ca -0.15 -0.45 0.09 0.00 -1.03 0.00 0.00 54.13 52.59 2qje s LEU 411 Cb 0.05 0.20 -0.04 0.00 0.03 0.00 0.00 46.19 46.43 2qje s LEU 411 CO 0.20 -0.31 -0.20 0.00 0.23 0.00 0.00 176.35 176.26 2qje s ALA 412 N -1.45 2.58 0.28 4.21 0.00 -0.18 -1.17 121.76 126.03 2qje s ALA 412 Ca -0.16 -1.35 -0.30 0.00 0.00 0.00 0.00 51.96 50.15 2qje s ALA 412 Cb -0.10 -0.59 -0.11 0.00 0.00 0.00 0.00 23.12 22.33 2qje s ALA 412 CO -0.01 0.58 1.48 -1.21 0.00 0.00 0.00 175.76 176.60 2qje s GLU 413 N -1.99 4.22 -0.08 0.00 2.02 -0.80 0.18 118.70 122.25 2qje s GLU 413 Ca 0.16 2.40 0.01 0.00 0.02 0.00 0.00 54.97 57.56 2qje s GLU 413 Cb -0.10 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 31.08 2qje s GLU 413 CO 0.08 -0.48 -0.07 1.21 0.02 0.00 0.00 175.26 176.02 2qje s ASN 414 N 0.31 1.67 0.52 -0.19 3.04 0.18 -4.81 114.94 115.67 2qje s ASN 414 Ca 0.59 -0.23 0.05 0.00 0.04 0.00 0.00 52.86 53.32 2qje s ASN 414 Cb -0.44 -0.69 0.02 0.00 -1.54 0.00 0.00 41.25 38.61 2qje s ASN 414 CO 0.47 -0.07 0.36 0.00 -3.04 0.00 0.00 177.10 174.82 2qje s ARG 415 N 1.24 2.27 0.36 0.43 1.70 -1.26 0.35 118.95 124.03 2qje s ARG 415 Ca -0.05 -2.00 -0.24 0.00 -0.47 0.00 0.00 55.73 52.97 2qje s ARG 415 Cb -0.14 -2.07 -0.14 0.00 -0.57 0.00 0.00 34.95 32.03 2qje s ARG 415 CO -0.02 -0.54 0.55 1.63 -1.08 0.00 0.00 175.30 175.84 2qje n LYS 416 N -1.68 0.51 -4.20 3.89 4.76 -1.26 -4.83 118.16 115.35 2qje n LYS 416 Ca -0.02 0.18 -0.14 0.00 -2.87 0.00 0.00 58.31 55.45 2qje n LYS 416 Cb 0.64 -1.40 -0.11 0.00 -1.84 0.00 0.00 35.03 32.33 2qje n LYS 416 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2qje s SER 417 N -0.91 1.58 -0.14 4.39 1.04 -1.26 -5.03 113.70 113.37 2qje s SER 417 Ca 0.62 -0.87 0.17 0.00 0.48 0.00 0.00 55.95 56.35 2qje s SER 417 Cb -0.68 0.00 0.37 0.00 0.10 0.00 0.00 66.02 65.81 2qje s SER 417 CO 0.59 -0.28 1.25 -1.20 0.98 0.00 0.00 173.24 174.58 2qje n SER 418 N 0.33 2.96 -3.17 7.02 7.64 -1.26 -4.88 113.62 122.25 2qje n SER 418 Ca -0.14 -2.96 -0.09 0.00 1.01 0.00 0.00 58.87 56.68 2qje n SER 418 Cb 0.59 -0.44 0.01 0.00 -1.01 0.00 0.00 64.21 63.35 2qje n SER 418 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2qje s LYS 419 N -2.69 2.09 -0.98 1.43 2.47 -1.26 -4.89 119.74 115.91 2qje s LYS 419 Ca 0.34 -1.38 0.00 0.00 -1.56 0.00 0.00 55.97 53.37 2qje s LYS 419 Cb 0.28 0.60 0.00 0.00 -1.46 0.00 0.00 37.83 37.25 2qje s LYS 419 CO 0.06 -0.96 0.00 0.72 0.16 0.00 0.00 175.35 175.32 2qje n HIS 420 N -0.52 -1.20 -0.10 4.03 8.25 -1.26 -4.82 115.22 119.61 2qje n HIS 420 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 2qje n HIS 420 Cb 0.60 -2.46 -0.04 0.00 1.12 0.00 0.00 29.99 29.21 2qje n HIS 420 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2qje h SER 421 N 0.00 0.55 -0.72 0.41 4.64 -1.90 -3.26 113.55 113.28 2qje h SER 421 Ca -0.25 -0.37 0.03 0.00 -0.47 0.00 0.00 61.79 60.74 2qje h SER 421 Cb 1.05 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.95 2qje h SER 421 CO 0.31 0.79 0.47 -1.28 -0.87 0.00 0.00 176.83 176.25 2qje h SER 422 N 0.31 0.76 -4.05 4.97 0.87 -2.01 -3.43 113.55 110.97 2qje h SER 422 Ca 0.07 -0.01 -0.48 0.00 -1.23 0.00 0.00 61.79 60.15 2qje h SER 422 Cb 0.55 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2qje h SER 422 CO 0.03 0.53 0.30 -1.48 -0.53 0.00 0.00 176.83 175.68 2qje s LEU 423 N -9.78 3.71 0.64 2.23 0.05 -1.23 -5.04 118.68 109.27 2qje s LEU 423 Ca -0.10 1.47 -0.17 0.00 0.05 0.00 0.00 54.13 55.38 2qje s LEU 423 Cb 0.18 -4.38 -0.01 0.00 -2.05 0.00 0.00 46.19 39.93 2qje s LEU 423 CO 0.77 -0.51 1.19 -1.81 -0.55 0.00 0.00 176.35 175.44 2qje s ASP 424 N -2.99 4.90 0.20 1.48 1.11 -1.26 -4.79 116.67 115.32 2qje s ASP 424 Ca 0.57 2.30 -0.11 0.00 0.18 0.00 0.00 52.55 55.49 2qje s ASP 424 Cb -0.10 -2.59 0.17 0.00 1.07 0.00 0.00 42.92 41.47 2qje s ASP 424 CO 0.29 -1.78 1.82 0.00 1.18 0.00 0.00 175.17 176.68 2qje h VAL 426 N 0.71 0.24 0.00 0.00 2.07 -1.93 -2.69 116.25 114.65 2qje h VAL 426 Ca 0.26 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2qje h VAL 426 Cb 0.07 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2qje h VAL 426 CO -0.13 0.06 -1.21 0.18 0.02 0.00 0.00 177.57 176.49 2qje n LEU 427 N -3.31 0.49 -4.75 2.57 4.77 -0.83 -1.04 117.00 114.89 2qje n LEU 427 Ca -0.01 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.26 2qje n LEU 427 Cb 0.23 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2qje n LEU 427 CO 0.27 0.12 0.94 -0.60 -1.33 0.00 0.00 177.39 176.79 2qje s ARG 428 N -2.86 4.43 0.37 3.23 3.52 0.42 -4.94 118.95 123.12 2qje s ARG 428 Ca 0.01 2.06 -0.27 0.00 -0.13 0.00 0.00 55.73 57.40 2qje s ARG 428 Cb 0.12 -3.15 -0.09 0.00 -1.56 0.00 0.00 34.95 30.28 2qje s ARG 428 CO 0.71 -0.12 1.20 -2.14 -0.81 0.00 0.00 175.30 174.14 2qje s PRO 429 N -1.04 4.21 0.11 5.12 0.02 -1.26 -4.83 135.00 137.32 2qje s PRO 429 Ca 0.51 1.94 -0.30 0.00 0.02 0.00 0.00 61.00 63.16 2qje s PRO 429 Cb -0.37 -2.85 -0.07 0.00 0.02 0.00 0.00 34.50 31.24 2qje s PRO 429 CO 0.44 -0.21 1.19 0.95 -0.33 0.00 0.00 177.00 179.04 2qje s THR 430 N -1.30 3.88 -0.54 0.99 -4.23 -1.26 -4.98 115.64 108.21 2qje s THR 430 Ca 0.53 1.44 0.24 0.00 -1.18 0.00 0.00 61.69 62.72 2qje s THR 430 Cb -0.33 -3.92 0.13 0.00 1.34 0.00 0.00 72.50 69.72 2qje s THR 430 CO 0.43 0.16 1.39 -0.33 -0.54 0.00 0.00 174.62 175.73 2qje h GLU 431 N 6.19 0.00 0.00 3.99 5.08 -1.94 -3.49 114.58 124.42 2qje h GLU 431 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2qje h GLU 431 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2qje h GLU 431 CO 0.78 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.20 2qje n GLY 432 N 1.26 -2.58 3.67 -3.84 0.00 -1.26 -4.98 105.19 97.45 2qje n GLY 432 Ca 0.03 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.42 2qje n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qje s TYR 433 N -3.44 2.63 -0.28 1.61 -0.85 -0.46 -4.84 117.35 111.72 2qje s TYR 433 Ca 0.00 -0.38 -0.15 0.00 -0.52 0.00 0.00 57.07 56.02 2qje s TYR 433 Cb 0.00 -1.50 -0.03 0.00 0.38 0.00 0.00 41.96 40.81 2qje s TYR 433 CO 0.00 0.45 0.37 -0.51 -1.52 0.00 0.00 175.55 174.33 2qje s LEU 434 N -3.76 4.08 -0.12 -3.49 1.43 -1.26 0.14 118.68 115.71 2qje s LEU 434 Ca 0.35 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 2qje s LEU 434 Cb -0.02 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 2qje s LEU 434 CO 0.21 -0.20 1.06 0.00 0.23 0.00 0.00 176.35 177.64 2qje s ALA 435 N 2.06 3.47 0.24 4.21 0.00 0.38 -0.69 121.76 131.43 2qje s ALA 435 Ca 0.14 0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.55 2qje s ALA 435 Cb -0.16 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 2qje s ALA 435 CO 0.10 -0.72 -0.05 0.14 0.00 0.00 0.00 175.76 175.23 2qje s VAL 436 N 2.29 1.39 -0.15 0.00 -7.23 -0.39 -0.02 120.40 116.28 2qje s VAL 436 Ca 0.49 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2qje s VAL 436 Cb -0.19 -2.32 -0.00 0.00 0.56 0.00 0.00 36.38 34.43 2qje s VAL 436 CO 0.17 -0.37 -0.15 0.00 -0.31 0.00 0.00 175.10 174.43 2qje s ALA 437 N -3.19 2.50 -0.03 1.32 0.00 -1.26 -2.54 121.76 118.56 2qje s ALA 437 Ca 0.27 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 51.28 2qje s ALA 437 Cb 0.04 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 2qje s ALA 437 CO 0.09 0.02 -0.25 0.08 0.00 0.00 0.00 175.76 175.71 2qje s VAL 438 N 0.73 1.97 0.25 0.00 1.01 -0.14 -0.92 120.40 123.29 2qje s VAL 438 Ca -0.07 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.87 2qje s VAL 438 Cb -0.16 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 2qje s VAL 438 CO 0.01 0.56 0.10 0.68 0.00 0.00 0.00 175.10 176.45 2qje s VAL 439 N -0.46 0.45 0.25 2.92 -7.23 -0.30 -1.11 120.40 114.91 2qje s VAL 439 Ca 0.06 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 57.97 2qje s VAL 439 Cb -0.11 -2.60 -0.09 0.00 0.56 0.00 0.00 36.38 34.14 2qje s VAL 439 CO 0.00 -0.01 0.86 -0.75 -0.31 0.00 0.00 175.10 174.90 2qje s LYS 440 N -4.06 4.59 0.29 4.82 2.47 -1.26 -0.95 119.74 125.64 2qje s LYS 440 Ca 0.38 1.25 -0.03 0.00 -1.56 0.00 0.00 55.97 56.01 2qje s LYS 440 Cb 0.08 -3.04 0.41 0.00 -1.46 0.00 0.00 37.83 33.81 2qje s LYS 440 CO 0.13 0.43 1.95 -0.22 0.16 0.00 0.00 175.35 177.80 2qje h LYS 441 N 3.72 1.10 -0.01 4.03 3.64 -0.30 -2.42 116.57 126.34 2qje h LYS 441 Ca -0.47 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2qje h LYS 441 Cb 1.20 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2qje h LYS 441 CO 0.66 0.75 0.02 0.00 -2.27 0.00 0.00 179.45 178.61 2qje h ALA 442 N 1.45 1.20 -0.71 5.00 0.00 -1.93 -3.25 119.26 121.02 2qje h ALA 442 Ca 0.30 -0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.46 2qje h ALA 442 Cb -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.57 2qje h ALA 442 CO -0.06 -0.02 2.27 -1.71 0.00 0.00 0.00 179.25 179.73 2qje n ASN 443 N -3.34 4.87 -4.74 0.00 2.85 -0.91 -4.98 115.26 109.02 2qje n ASN 443 Ca -0.03 -3.06 -0.36 0.00 -0.11 0.00 0.00 54.58 51.03 2qje n ASN 443 Cb 0.09 -1.51 0.06 0.00 1.24 0.00 0.00 39.78 39.66 2qje n ASN 443 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2qje s GLU 444 N 0.94 2.60 0.00 1.20 2.02 -1.23 -2.92 118.70 121.31 2qje s GLU 444 Ca 0.41 1.87 0.00 0.00 0.02 0.00 0.00 54.97 57.28 2qje s GLU 444 Cb 0.11 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.46 2qje s GLU 444 CO -0.02 -1.51 0.00 0.41 0.02 0.00 0.00 175.26 174.17 2qje n GLY 445 N 0.58 0.25 3.62 -1.39 0.00 -1.26 -4.95 105.19 102.02 2qje n GLY 445 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2qje n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qje s LEU 446 N 0.00 4.09 0.00 0.99 2.96 -1.15 -4.89 118.68 120.68 2qje s LEU 446 Ca 0.00 0.59 0.04 0.00 -0.22 0.00 0.00 54.13 54.53 2qje s LEU 446 Cb 0.00 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 2qje s LEU 446 CO 0.00 -0.40 0.14 0.35 -1.32 0.00 0.00 176.35 175.12 2qje n THR 447 N 5.26 0.00 0.28 3.68 -2.24 -1.26 -4.98 114.28 115.02 2qje n THR 447 Ca -0.01 -2.45 0.13 0.00 -2.27 0.00 0.00 64.05 59.44 2qje n THR 447 Cb 0.49 0.84 0.82 0.00 -2.10 0.00 0.00 70.33 70.38 2qje n THR 447 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2qje h TRP 448 N 1.65 0.00 -0.00 4.78 2.91 -1.83 -2.43 115.95 121.03 2qje h TRP 448 Ca -0.34 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.68 2qje h TRP 448 Cb 1.26 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.91 2qje h TRP 448 CO 0.00 0.03 -0.28 0.09 -1.03 0.00 0.00 178.44 177.25 2qje n ASN 449 N -3.98 0.66 -1.53 2.65 3.02 -1.26 -3.92 115.26 110.90 2qje n ASN 449 Ca -0.03 -0.51 -0.12 0.00 -0.03 0.00 0.00 54.58 53.89 2qje n ASN 449 Cb 0.11 0.08 0.09 0.00 -0.61 0.00 0.00 39.78 39.45 2qje n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2qje n SER 450 N -1.05 3.62 0.12 6.41 3.41 -0.91 -4.75 113.62 120.47 2qje n SER 450 Ca 0.10 -3.72 0.03 0.00 -0.26 0.00 0.00 58.87 55.02 2qje n SER 450 Cb 0.33 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 63.88 2qje n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2qje h LEU 451 N 1.75 0.00 -9.47 1.04 3.38 -1.68 -3.44 115.31 106.90 2qje h LEU 451 Ca 0.21 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.57 2qje h LEU 451 Cb 1.35 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.17 2qje h LEU 451 CO 0.46 0.46 0.50 1.17 0.09 0.00 0.00 178.44 181.12 2qje n LYS 452 N -3.13 1.68 -1.12 1.13 3.00 -1.26 -1.59 118.16 116.88 2qje n LYS 452 Ca -0.00 0.60 -0.04 0.00 -0.00 0.00 0.00 58.31 58.87 2qje n LYS 452 Cb 0.73 -2.21 -0.02 0.00 0.00 0.00 0.00 35.03 33.54 2qje n LYS 452 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2qje n ASP 453 N 2.23 -4.61 -3.87 3.14 10.43 -0.05 -4.96 116.55 118.87 2qje n ASP 453 Ca 0.14 0.10 -0.16 0.00 2.57 0.00 0.00 54.79 57.44 2qje n ASP 453 Cb 0.28 -2.46 0.08 0.00 1.84 0.00 0.00 41.12 40.86 2qje n ASP 453 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2qje n LYS 454 N -1.39 0.19 -4.26 -1.24 4.76 -0.62 -4.13 118.16 111.48 2qje n LYS 454 Ca -0.04 -1.99 -0.34 0.00 -2.87 0.00 0.00 58.31 53.07 2qje n LYS 454 Cb 0.32 -0.43 -0.11 0.00 -1.84 0.00 0.00 35.03 32.97 2qje n LYS 454 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2qje s LYS 455 N -4.26 3.77 0.15 1.97 1.02 -1.26 -1.58 119.74 119.55 2qje s LYS 455 Ca 0.47 -0.45 0.10 0.00 0.02 0.00 0.00 55.97 56.11 2qje s LYS 455 Cb -0.03 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 2qje s LYS 455 CO 0.31 0.27 -0.21 -1.54 -0.92 0.00 0.00 175.35 173.25 2qje s SER 456 N 0.33 3.63 -0.20 2.83 1.04 -0.72 0.69 113.70 121.30 2qje s SER 456 Ca -0.01 -0.71 0.01 0.00 0.48 0.00 0.00 55.95 55.72 2qje s SER 456 Cb -0.13 -0.38 0.04 0.00 0.10 0.00 0.00 66.02 65.64 2qje s SER 456 CO 0.02 0.15 -0.12 0.00 0.98 0.00 0.00 173.24 174.27 2qje s HIS 458 N 1.35 2.73 0.15 0.00 3.76 -0.54 -1.32 115.29 121.42 2qje s HIS 458 Ca -0.01 -0.16 -0.15 0.00 -0.15 0.00 0.00 55.06 54.59 2qje s HIS 458 Cb -0.16 -1.42 0.03 0.00 1.11 0.00 0.00 32.58 32.14 2qje s HIS 458 CO -0.09 0.43 1.74 1.79 -0.85 0.00 0.00 174.74 177.77 2qje h THR 459 N 3.20 1.18 0.00 1.30 1.35 -1.76 -3.40 112.91 114.79 2qje h THR 459 Ca -0.49 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2qje h THR 459 Cb 1.17 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2qje h THR 459 CO 0.52 0.20 0.00 0.00 -0.25 0.00 0.00 175.52 175.99 2qje n ALA 460 N -2.29 0.00 -1.67 6.62 0.00 -1.26 -1.01 120.51 120.89 2qje n ALA 460 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 2qje n ALA 460 Cb 0.11 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.59 2qje n ALA 460 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qje n VAL 461 N -0.41 3.20 -0.44 0.00 0.31 0.36 -2.67 118.33 118.69 2qje n VAL 461 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2qje n VAL 461 Cb 0.00 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 2qje n VAL 461 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2qje n ASP 462 N -0.34 0.00 -4.90 4.52 8.00 -1.26 -4.97 116.55 117.60 2qje n ASP 462 Ca 0.10 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.32 2qje n ASP 462 Cb 0.43 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.22 2qje n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2qje s ARG 463 N -0.07 3.63 0.02 -1.24 0.52 -1.09 -4.16 118.95 116.56 2qje s ARG 463 Ca 0.00 0.23 -0.17 0.00 -0.52 0.00 0.00 55.73 55.27 2qje s ARG 463 Cb 0.00 -2.43 -0.09 0.00 0.52 0.00 0.00 34.95 32.94 2qje s ARG 463 CO 0.00 -0.07 1.17 1.15 0.02 0.00 0.00 175.30 177.57 2qje h THR 464 N 0.69 0.00 0.05 0.02 2.02 -1.92 0.26 112.91 114.03 2qje h THR 464 Ca -0.47 -0.04 -0.23 0.00 0.77 0.00 0.00 66.41 66.44 2qje h THR 464 Cb 1.20 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2qje h THR 464 CO 0.63 0.00 -1.03 0.00 0.37 0.00 0.00 175.52 175.49 2qje h ALA 465 N -1.68 0.32 0.00 6.16 0.00 -1.90 -1.07 119.26 121.09 2qje h ALA 465 Ca -0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 54.91 53.99 2qje h ALA 465 Cb 0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qje h ALA 465 CO 0.10 0.98 -0.21 0.78 0.00 0.00 0.00 179.25 180.90 2qje h GLY 466 N 1.87 0.00 0.00 0.00 0.00 -1.69 -3.39 103.07 99.86 2qje h GLY 466 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2qje h GLY 466 CO 0.16 0.00 -0.01 1.87 0.00 0.00 0.00 176.54 178.56 2qje n TRP 467 N -3.16 -2.08 -0.03 5.60 -0.00 -0.59 -4.34 117.44 112.84 2qje n TRP 467 Ca 0.03 0.37 -0.10 0.00 -0.00 0.00 0.00 57.50 57.80 2qje n TRP 467 Cb 0.61 0.53 -0.03 0.00 -0.00 0.00 0.00 31.31 32.41 2qje n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 2qje h ASN 468 N 0.00 0.08 0.49 5.87 2.35 -0.48 -1.01 115.58 122.88 2qje h ASN 468 Ca 0.00 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2qje h ASN 468 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2qje h ASN 468 CO 0.00 0.07 -0.23 0.40 -1.65 0.00 0.00 177.43 176.02 2qje h ILE 469 N 0.15 0.32 -0.66 2.81 1.08 -1.42 -1.07 117.51 118.73 2qje h ILE 469 Ca 0.07 -0.49 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 2qje h ILE 469 Cb 0.04 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 2qje h ILE 469 CO -0.07 0.06 0.35 1.55 -0.69 0.00 0.00 178.15 179.35 2qje h PRO 470 N -1.02 0.92 -0.02 2.37 0.13 -1.78 -1.53 132.00 131.08 2qje h PRO 470 Ca -0.07 -0.11 -0.12 0.00 -0.87 0.00 0.00 66.00 64.83 2qje h PRO 470 Cb 0.59 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.53 2qje h PRO 470 CO 0.11 0.71 -0.55 0.52 -0.23 0.00 0.00 178.00 178.56 2qje h MET 471 N 0.90 0.05 -0.11 0.86 2.86 -1.29 -0.90 114.93 117.30 2qje h MET 471 Ca 0.23 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2qje h MET 471 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2qje h MET 471 CO -0.03 0.59 0.05 0.78 1.06 0.00 0.00 176.91 179.35 2qje h GLY 472 N 1.60 0.18 1.00 8.32 0.00 -0.88 0.13 103.07 113.42 2qje h GLY 472 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2qje h GLY 472 CO 0.07 0.09 0.38 1.41 0.00 0.00 0.00 176.54 178.49 2qje h LEU 473 N 0.04 0.80 -0.76 3.11 3.38 -1.12 -1.70 115.31 119.05 2qje h LEU 473 Ca 0.04 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2qje h LEU 473 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2qje h LEU 473 CO -0.00 0.64 -0.19 0.40 0.09 0.00 0.00 178.44 179.37 2qje h ILE 474 N 0.89 1.27 -0.23 1.22 2.04 -0.94 0.10 117.51 121.85 2qje h ILE 474 Ca 0.23 -1.28 -0.13 0.00 1.00 0.00 0.00 64.86 64.69 2qje h ILE 474 Cb 0.00 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2qje h ILE 474 CO -0.04 0.43 -0.38 0.58 0.00 0.00 0.00 178.15 178.73 2qje h VAL 475 N 0.64 1.30 -0.16 1.67 2.07 -0.52 -0.99 116.25 120.26 2qje h VAL 475 Ca 0.10 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 2qje h VAL 475 Cb 0.68 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2qje h VAL 475 CO 0.05 0.48 -0.22 0.78 0.02 0.00 0.00 177.57 178.68 2qje h ASN 476 N 0.44 0.47 0.67 0.57 4.21 -0.98 -0.56 115.58 120.41 2qje h ASN 476 Ca 0.04 -0.51 -0.05 0.00 1.21 0.00 0.00 56.30 56.99 2qje h ASN 476 Cb 0.86 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 2qje h ASN 476 CO 0.07 0.89 -0.24 1.56 -1.29 0.00 0.00 177.43 178.43 2qje h GLN 477 N 0.06 0.00 0.00 0.81 4.20 -0.97 -3.25 115.11 115.96 2qje h GLN 477 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2qje h GLN 477 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2qje h GLN 477 CO 0.05 0.24 -1.30 2.41 -0.67 0.00 0.00 178.83 179.56 2qje n THR 478 N -3.56 0.09 -0.86 -0.54 -1.04 -0.38 -4.96 114.28 103.02 2qje n THR 478 Ca -0.01 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 2qje n THR 478 Cb 0.38 0.35 0.00 0.00 -1.82 0.00 0.00 70.33 69.24 2qje n THR 478 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qje n GLY 479 N 1.37 0.11 3.20 3.41 0.00 -0.23 -4.94 105.19 108.11 2qje n GLY 479 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2qje n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qje s SER 480 N -2.05 2.17 0.00 1.61 0.15 -1.23 -5.01 113.70 109.33 2qje s SER 480 Ca 0.00 -0.42 0.19 0.00 0.70 0.00 0.00 55.95 56.42 2qje s SER 480 Cb 0.00 -0.20 0.77 0.00 -1.71 0.00 0.00 66.02 64.88 2qje s SER 480 CO 0.00 0.17 1.55 0.00 1.20 0.00 0.00 173.24 176.15 2qje n ALA 482 N 0.10 6.57 0.21 0.00 0.00 -1.26 -4.58 120.51 121.55 2qje n ALA 482 Ca 0.15 -2.59 0.06 0.00 0.00 0.00 0.00 53.44 51.05 2qje n ALA 482 Cb 0.27 -2.41 0.28 0.00 0.00 0.00 0.00 19.45 17.59 2qje n ALA 482 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2qje n PHE 483 N 2.02 0.30 0.69 0.00 -1.74 -1.26 -1.26 117.46 116.21 2qje n PHE 483 Ca 0.50 0.14 0.09 0.00 -0.56 0.00 0.00 57.45 57.63 2qje n PHE 483 Cb 0.67 -0.72 0.42 0.00 1.52 0.00 0.00 39.48 41.37 2qje n PHE 483 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 2qje n ASP 484 N -1.79 0.00 0.00 5.98 5.75 -1.26 -3.31 116.55 121.92 2qje n ASP 484 Ca 0.01 0.45 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 2qje n ASP 484 Cb 0.08 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 2qje n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2qje n GLU 485 N -1.48 0.72 0.24 0.11 1.02 -0.39 -4.80 120.64 116.07 2qje n GLU 485 Ca 0.05 -0.39 -0.15 0.00 -0.02 0.00 0.00 57.16 56.65 2qje n GLU 485 Cb 0.22 -0.88 -0.08 0.00 -0.02 0.00 0.00 31.44 30.67 2qje n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2qje h PHE 486 N 0.00 -0.54 -3.35 -0.32 3.57 -1.59 -3.43 116.94 111.28 2qje h PHE 486 Ca 0.00 -0.01 -0.55 0.00 3.53 0.00 0.00 57.97 60.93 2qje h PHE 486 Cb 0.01 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 2qje h PHE 486 CO 0.00 -0.28 -0.11 -0.06 -2.23 0.00 0.00 178.31 175.63 2qje s PHE 487 N -5.62 3.54 0.12 0.41 0.08 -1.26 -0.87 117.98 114.38 2qje s PHE 487 Ca -0.16 0.98 -0.13 0.00 0.12 0.00 0.00 56.93 57.74 2qje s PHE 487 Cb 0.03 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 2qje s PHE 487 CO 0.60 0.38 1.50 0.66 -0.10 0.00 0.00 175.22 178.26 2qje h SER 488 N 3.21 0.83 -4.76 1.36 4.64 -1.45 -3.46 113.55 113.93 2qje h SER 488 Ca -0.48 -0.41 -0.12 0.00 -0.47 0.00 0.00 61.79 60.32 2qje h SER 488 Cb 1.18 -0.23 -0.21 0.00 -0.31 0.00 0.00 62.40 62.84 2qje h SER 488 CO 0.67 1.05 -0.26 -1.10 -0.87 0.00 0.00 176.83 176.32 2qje s GLN 489 N -4.62 0.63 0.29 4.77 -0.21 -1.25 -4.89 119.66 114.38 2qje s GLN 489 Ca -0.12 -0.03 -0.08 0.00 0.02 0.00 0.00 55.36 55.15 2qje s GLN 489 Cb 0.10 0.29 -0.00 0.00 1.00 0.00 0.00 33.01 34.40 2qje s GLN 489 CO 0.83 -0.16 0.46 -1.12 -2.12 0.00 0.00 175.29 173.18 2qje s SER 490 N -1.01 0.34 -0.28 5.90 0.01 -0.35 -1.76 113.70 116.55 2qje s SER 490 Ca -0.11 -1.21 -0.00 0.00 1.31 0.00 0.00 55.95 55.94 2qje s SER 490 Cb -0.04 0.61 0.09 0.00 0.21 0.00 0.00 66.02 66.88 2qje s SER 490 CO 0.04 -1.21 0.05 0.00 0.41 0.00 0.00 173.24 172.53 2qje s ALA 492 N 1.51 2.82 0.08 0.00 0.00 -0.04 -1.47 121.76 124.66 2qje s ALA 492 Ca 0.05 -3.18 -0.36 0.00 0.00 0.00 0.00 51.96 48.47 2qje s ALA 492 Cb -0.18 -1.96 -0.18 0.00 0.00 0.00 0.00 23.12 20.80 2qje s ALA 492 CO -0.16 -2.05 1.12 -2.30 0.00 0.00 0.00 175.76 172.36 2qje n PRO 493 N 2.62 0.59 0.00 0.00 -0.02 -1.26 -2.19 135.00 134.74 2qje n PRO 493 Ca 0.19 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2qje n PRO 493 Cb 0.38 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2qje n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qje n GLY 494 N 1.96 0.51 4.01 -1.23 0.00 -0.11 -0.49 105.19 109.84 2qje n GLY 494 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 2qje n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qje s ALA 495 N -2.00 4.30 -0.13 4.61 0.00 -0.93 -4.89 121.76 122.72 2qje s ALA 495 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 51.96 49.81 2qje s ALA 495 Cb 0.00 -1.71 -0.06 0.00 0.00 0.00 0.00 23.12 21.35 2qje s ALA 495 CO 0.00 -0.94 2.01 0.34 0.00 0.00 0.00 175.76 177.17 2qje s ASP 496 N -4.61 5.98 0.61 0.00 -1.08 -1.26 -4.84 116.67 111.46 2qje s ASP 496 Ca 0.62 2.09 0.27 0.00 -0.52 0.00 0.00 52.55 55.01 2qje s ASP 496 Cb -0.07 -2.52 1.32 0.00 -1.46 0.00 0.00 42.92 40.19 2qje s ASP 496 CO 0.40 -1.51 1.73 -0.65 0.52 0.00 0.00 175.17 175.66 2qje h PRO 497 N 12.66 0.00 -0.00 4.34 0.11 -1.93 0.19 132.00 147.38 2qje h PRO 497 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2qje h PRO 497 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2qje h PRO 497 CO 0.96 0.00 -0.35 1.63 -0.21 0.00 0.00 178.00 180.03 2qje n LYS 498 N -3.43 0.20 -2.39 1.05 5.02 -1.26 -4.74 118.16 112.61 2qje n LYS 498 Ca 0.10 -0.10 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 2qje n LYS 498 Cb 0.83 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.39 2qje n LYS 498 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qje s SER 499 N -2.87 5.19 0.50 4.39 1.04 0.67 -4.97 113.70 117.66 2qje s SER 499 Ca 0.15 0.42 0.33 0.00 0.48 0.00 0.00 55.95 57.34 2qje s SER 499 Cb 0.18 -1.26 1.52 0.00 0.10 0.00 0.00 66.02 66.57 2qje s SER 499 CO 0.62 -1.30 1.99 0.08 0.98 0.00 0.00 173.24 175.62 2qje h ARG 500 N -0.28 0.00 0.00 4.02 0.11 -1.90 -2.12 114.38 114.22 2qje h ARG 500 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2qje h ARG 500 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 2qje h ARG 500 CO 0.59 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.94 2qje n LEU 501 N -2.83 0.00 0.00 0.08 4.77 -1.26 -1.21 117.00 116.55 2qje n LEU 501 Ca -0.00 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2qje n LEU 501 Cb 0.21 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2qje n LEU 501 CO 0.22 -0.14 0.22 0.00 -1.33 0.00 0.00 177.39 176.36 2qje h ALA 503 N 0.00 1.68 0.00 0.00 0.00 -1.32 -2.55 119.26 117.08 2qje h ALA 503 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qje h ALA 503 Cb 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qje h ALA 503 CO 0.00 0.14 -0.31 1.28 0.00 0.00 0.00 179.25 180.36 2qje n LEU 504 N -4.52 0.60 -4.77 0.00 4.32 -0.03 -4.88 117.00 107.72 2qje n LEU 504 Ca 0.15 0.35 -0.37 0.00 -0.02 0.00 0.00 56.01 56.12 2qje n LEU 504 Cb 0.32 -0.29 -0.00 0.00 -1.62 0.00 0.00 43.42 41.83 2qje n LEU 504 CO 0.31 -0.06 0.84 0.00 -1.22 0.00 0.00 177.39 177.26 2qje n ALA 506 N -0.62 3.01 -0.02 0.00 0.00 -1.26 -4.81 120.51 116.81 2qje n ALA 506 Ca 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2qje n ALA 506 Cb 0.48 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2qje n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qje n GLY 507 N 1.50 -1.78 0.60 0.00 0.00 -1.26 -4.46 105.19 99.78 2qje n GLY 507 Ca 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 46.02 44.62 2qje n GLY 507 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qje n ASP 508 N 0.45 0.14 0.06 1.61 5.68 0.11 -2.33 116.55 122.27 2qje n ASP 508 Ca 0.00 -1.14 0.03 0.00 -0.50 0.00 0.00 54.79 53.18 2qje n ASP 508 Cb 0.00 -0.12 0.14 0.00 -1.14 0.00 0.00 41.12 40.00 2qje n ASP 508 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2qje n ASP 509 N -3.04 0.14 -0.11 -1.12 5.68 -1.26 -0.73 116.55 116.10 2qje n ASP 509 Ca 0.03 0.42 0.01 0.00 -0.50 0.00 0.00 54.79 54.75 2qje n ASP 509 Cb 0.09 -0.40 0.01 0.00 -1.14 0.00 0.00 41.12 39.68 2qje n ASP 509 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qje n GLN 510 N -1.60 -0.49 -0.54 0.11 6.02 -1.26 -5.00 117.38 114.62 2qje n GLN 510 Ca -0.00 -0.70 0.00 0.00 -0.01 0.00 0.00 57.00 56.29 2qje n GLN 510 Cb 0.22 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.43 2qje n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qje n GLY 511 N 0.13 0.91 3.96 1.08 0.00 0.09 -5.06 105.19 106.30 2qje n GLY 511 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2qje n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qje s LEU 512 N 0.00 3.08 -1.69 0.99 1.43 -1.26 -4.36 118.68 116.87 2qje s LEU 512 Ca 0.00 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2qje s LEU 512 Cb 0.00 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.30 2qje s LEU 512 CO 0.00 -1.35 0.19 0.47 0.23 0.00 0.00 176.35 175.88 2qje n ASP 513 N -2.59 -5.93 -4.67 2.29 9.92 -1.26 -0.71 116.55 113.60 2qje n ASP 513 Ca 0.08 -0.10 -0.45 0.00 -0.53 0.00 0.00 54.79 53.80 2qje n ASP 513 Cb 0.60 -4.88 -0.04 0.00 -0.64 0.00 0.00 41.12 36.17 2qje n ASP 513 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2qje n LYS 514 N -3.29 2.57 -1.14 -1.24 4.81 -1.26 -1.90 118.16 116.71 2qje n LYS 514 Ca -0.20 0.94 -0.05 0.00 -0.87 0.00 0.00 58.31 58.13 2qje n LYS 514 Cb 0.67 -2.84 -0.02 0.00 0.02 0.00 0.00 35.03 32.85 2qje n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qje s VAL 516 N -2.09 3.37 -1.44 0.00 -7.23 -0.80 -0.94 120.40 111.27 2qje s VAL 516 Ca 0.00 1.16 -0.07 0.00 -1.81 0.00 0.00 61.98 61.26 2qje s VAL 516 Cb 0.00 -3.66 0.04 0.00 0.56 0.00 0.00 36.38 33.32 2qje s VAL 516 CO 0.00 0.12 2.61 -0.81 -0.31 0.00 0.00 175.10 176.71 2qje n PRO 517 N 0.27 4.25 -3.94 4.82 -0.04 -1.26 -4.50 135.00 134.59 2qje n PRO 517 Ca 0.03 -2.97 -0.09 0.00 -0.04 0.00 0.00 63.50 60.44 2qje n PRO 517 Cb 0.47 -2.70 -0.05 0.00 -0.04 0.00 0.00 33.50 31.18 2qje n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qje s ASN 518 N 1.09 -0.13 0.00 3.54 2.20 -1.26 -4.52 114.94 115.85 2qje s ASN 518 Ca 0.60 -0.81 0.03 0.00 -0.94 0.00 0.00 52.86 51.74 2qje s ASN 518 Cb 0.18 0.59 0.16 0.00 -2.00 0.00 0.00 41.25 40.18 2qje s ASN 518 CO -0.08 -1.13 1.02 -1.54 -2.94 0.00 0.00 177.10 172.42 2qje n SER 519 N -0.37 0.00 0.17 3.54 3.41 -1.26 -2.20 113.62 116.91 2qje n SER 519 Ca -0.04 0.36 0.03 0.00 -0.26 0.00 0.00 58.87 58.97 2qje n SER 519 Cb 0.62 -0.39 0.41 0.00 -0.26 0.00 0.00 64.21 64.59 2qje n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2qje h LYS 520 N 0.00 0.10 -6.34 4.33 1.57 -1.94 -3.39 116.57 110.90 2qje h LYS 520 Ca 0.00 -0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 58.19 2qje h LYS 520 Cb 0.05 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 2qje h LYS 520 CO 0.00 0.32 0.96 -2.00 -0.57 0.00 0.00 179.45 178.15 2qje s GLU 521 N -4.55 3.95 0.34 3.15 2.56 -0.93 -3.23 118.70 119.98 2qje s GLU 521 Ca -0.04 1.26 0.12 0.00 0.00 0.00 0.00 54.97 56.31 2qje s GLU 521 Cb 0.15 -3.86 1.06 0.00 2.00 0.00 0.00 34.13 33.48 2qje s GLU 521 CO 0.72 -1.08 1.61 -0.22 -0.56 0.00 0.00 175.26 175.73 2qje h LYS 522 N 9.13 0.11 -0.80 4.30 3.64 -1.67 -0.86 116.57 130.43 2qje h LYS 522 Ca -0.26 -0.01 -0.43 0.00 -1.27 0.00 0.00 60.65 58.69 2qje h LYS 522 Cb 1.10 -0.02 -0.25 0.00 -0.41 0.00 0.00 32.23 32.64 2qje h LYS 522 CO 1.03 0.07 0.42 0.66 -2.27 0.00 0.00 179.45 179.36 2qje n TYR 523 N -5.25 2.47 -2.43 1.91 4.01 -1.26 -4.52 117.16 112.09 2qje n TYR 523 Ca 0.31 -1.86 -0.31 0.00 -0.16 0.00 0.00 57.90 55.87 2qje n TYR 523 Cb 1.01 -0.83 -0.02 0.00 -0.31 0.00 0.00 39.34 39.18 2qje n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2qje s TYR 524 N -3.33 3.50 0.01 -0.72 5.04 -0.33 -2.80 117.35 118.73 2qje s TYR 524 Ca 0.54 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 56.44 2qje s TYR 524 Cb 0.46 -2.65 0.00 0.00 0.35 0.00 0.00 41.96 40.12 2qje s TYR 524 CO 0.07 -0.36 0.00 0.41 -1.34 0.00 0.00 175.55 174.33 2qje n GLY 525 N -1.79 -1.09 0.13 8.97 0.00 -0.18 -1.20 105.19 110.04 2qje n GLY 525 Ca 0.05 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 2qje n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2qje h TYR 526 N -0.05 0.29 -0.33 1.61 0.05 -1.93 -1.05 116.97 115.56 2qje h TYR 526 Ca 0.00 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 2qje h TYR 526 Cb 0.05 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 2qje h TYR 526 CO 0.00 0.18 -0.09 1.15 -1.05 0.00 0.00 178.16 178.34 2qje h THR 527 N 0.32 1.28 -0.38 -2.88 2.02 -1.90 -2.20 112.91 109.18 2qje h THR 527 Ca 0.10 -1.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.07 2qje h THR 527 Cb -0.01 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2qje h THR 527 CO -0.05 0.38 0.01 1.23 0.37 0.00 0.00 175.52 177.46 2qje h GLY 528 N 0.43 0.71 1.38 2.16 0.00 -1.05 0.76 103.07 107.47 2qje h GLY 528 Ca 0.08 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 2qje h GLY 528 CO 0.04 0.47 0.00 0.00 0.00 0.00 0.00 176.54 177.05 2qje h ALA 529 N 0.88 1.14 -0.03 3.60 0.00 -1.01 -0.31 119.26 123.52 2qje h ALA 529 Ca 0.11 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2qje h ALA 529 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2qje h ALA 529 CO 0.02 0.56 -0.58 0.35 0.00 0.00 0.00 179.25 179.59 2qje h PHE 530 N 0.71 0.13 -0.02 0.00 3.57 -1.08 -2.67 116.94 117.58 2qje h PHE 530 Ca 0.14 -0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.48 2qje h PHE 530 Cb 0.44 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2qje h PHE 530 CO 0.02 0.65 -0.52 -0.09 -2.23 0.00 0.00 178.31 176.15 2qje h ARG 531 N 0.08 0.05 -0.39 1.11 2.43 -0.25 -0.41 114.38 116.99 2qje h ARG 531 Ca -0.00 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 2qje h ARG 531 Cb 1.04 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 2qje h ARG 531 CO 0.08 0.55 -0.00 0.00 -1.51 0.00 0.00 179.97 179.09 2qje h LEU 533 N 0.58 0.65 -1.21 0.00 5.85 -1.31 -0.02 115.31 119.85 2qje h LEU 533 Ca 0.12 -0.92 0.04 0.00 0.84 0.00 0.00 57.88 57.96 2qje h LEU 533 Cb 0.37 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2qje h LEU 533 CO 0.01 1.66 0.55 0.00 -0.34 0.00 0.00 178.44 180.32 2qje h ALA 534 N 0.10 1.52 -0.25 1.25 0.00 -0.72 0.60 119.26 121.75 2qje h ALA 534 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qje h ALA 534 Cb 1.99 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2qje h ALA 534 CO 0.20 0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.22 2qje n GLU 535 N -4.46 1.62 -2.24 0.00 1.02 0.15 -4.89 120.64 111.84 2qje n GLU 535 Ca 0.11 -0.93 -0.19 0.00 -0.02 0.00 0.00 57.16 56.14 2qje n GLU 535 Cb 0.14 -1.22 -0.02 0.00 -0.02 0.00 0.00 31.44 30.32 2qje n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2qje n ASP 536 N 0.25 -5.43 0.05 1.62 8.00 0.20 -4.86 116.55 116.38 2qje n ASP 536 Ca 0.09 0.11 -0.20 0.00 0.71 0.00 0.00 54.79 55.50 2qje n ASP 536 Cb 0.23 -4.59 -0.11 0.00 -0.02 0.00 0.00 41.12 36.63 2qje n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2qje h VAL 537 N 0.00 1.33 -1.78 2.53 2.07 -1.25 -3.46 116.25 115.69 2qje h VAL 537 Ca -0.44 -2.27 -0.59 0.00 0.82 0.00 0.00 66.70 64.22 2qje h VAL 537 Cb 1.32 2.55 -0.10 0.00 -1.52 0.00 0.00 31.29 33.54 2qje h VAL 537 CO 0.55 0.69 -0.58 -0.83 0.02 0.00 0.00 177.57 177.42 2qje s GLY 538 N -4.29 2.22 -0.06 2.17 0.00 -0.51 -4.92 107.32 101.94 2qje s GLY 538 Ca -0.11 -2.06 0.13 0.00 0.00 0.00 0.00 44.72 42.68 2qje s GLY 538 CO 0.90 -1.94 0.61 1.22 0.00 0.00 0.00 173.10 173.89 2qje n ASP 539 N -1.05 0.79 -3.91 1.64 8.00 0.22 -4.58 116.55 117.66 2qje n ASP 539 Ca -0.03 0.38 -0.11 0.00 0.71 0.00 0.00 54.79 55.74 2qje n ASP 539 Cb 0.64 0.04 -0.13 0.00 -0.02 0.00 0.00 41.12 41.65 2qje n ASP 539 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qje s VAL 540 N -2.59 0.04 -0.07 2.53 0.11 -0.87 -4.36 120.40 115.19 2qje s VAL 540 Ca -0.05 -0.35 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 2qje s VAL 540 Cb 0.08 -0.12 -0.01 0.00 -1.53 0.00 0.00 36.38 34.80 2qje s VAL 540 CO 0.83 -0.19 -0.24 0.00 -3.33 0.00 0.00 175.10 172.16 2qje s ALA 541 N -0.57 2.20 -0.51 1.54 0.00 -0.27 -0.23 121.76 123.93 2qje s ALA 541 Ca -0.06 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 2qje s ALA 541 Cb -0.04 -0.75 0.13 0.00 0.00 0.00 0.00 23.12 22.46 2qje s ALA 541 CO -0.00 0.37 0.40 -0.06 0.00 0.00 0.00 175.76 176.47 2qje s PHE 542 N 0.01 3.41 0.00 0.00 0.08 -0.43 -0.97 117.98 120.07 2qje s PHE 542 Ca -0.08 -1.82 0.00 0.00 0.12 0.00 0.00 56.93 55.15 2qje s PHE 542 Cb -0.15 -3.56 0.00 0.00 -0.57 0.00 0.00 43.02 38.74 2qje s PHE 542 CO 0.05 -0.99 0.00 1.33 -0.10 0.00 0.00 175.22 175.51 2qje n VAL 543 N 4.86 0.00 -3.87 -0.44 0.24 -1.05 -3.66 118.33 114.39 2qje n VAL 543 Ca -0.07 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.01 2qje n VAL 543 Cb 0.41 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.73 2qje n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2qje s LYS 544 N 0.49 2.44 0.37 7.34 -2.85 -1.26 -1.26 119.74 125.01 2qje s LYS 544 Ca 0.00 -1.58 0.11 0.00 -1.00 0.00 0.00 55.97 53.50 2qje s LYS 544 Cb 0.00 -2.24 0.73 0.00 -2.06 0.00 0.00 37.83 34.26 2qje s LYS 544 CO 0.00 -0.06 1.85 -0.97 0.10 0.00 0.00 175.35 176.28 2qje h ASN 545 N 1.29 0.11 0.15 0.03 -1.24 -1.26 -2.98 115.58 111.68 2qje h ASN 545 Ca -0.43 -0.03 -0.05 0.00 0.71 0.00 0.00 56.30 56.50 2qje h ASN 545 Cb 1.26 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.27 2qje h ASN 545 CO 0.62 0.39 -0.20 0.44 -1.29 0.00 0.00 177.43 177.40 2qje h ASP 546 N 0.10 0.08 -0.62 1.15 5.19 -1.96 -3.13 116.42 117.23 2qje h ASP 546 Ca 0.01 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2qje h ASP 546 Cb 0.56 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.02 2qje h ASP 546 CO 0.04 0.29 0.36 0.74 -3.12 0.00 0.00 179.24 177.54 2qje h THR 547 N 0.08 1.19 -0.42 0.35 2.02 -1.92 -1.92 112.91 112.28 2qje h THR 547 Ca 0.01 -0.44 0.02 0.00 0.77 0.00 0.00 66.41 66.77 2qje h THR 547 Cb 0.40 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 2qje h THR 547 CO 0.03 0.20 0.25 0.58 0.37 0.00 0.00 175.52 176.94 2qje h VAL 548 N 0.83 1.04 0.00 3.16 2.07 -1.69 -2.77 116.25 118.90 2qje h VAL 548 Ca 0.22 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 2qje h VAL 548 Cb 0.00 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2qje h VAL 548 CO -0.04 0.09 -0.33 -0.50 0.02 0.00 0.00 177.57 176.81 2qje h TRP 549 N 0.50 0.00 0.00 1.57 4.06 -1.57 -3.16 115.95 117.35 2qje h TRP 549 Ca 0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.12 2qje h TRP 549 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 2qje h TRP 549 CO -0.07 0.33 -0.52 0.39 -3.56 0.00 0.00 178.44 175.01 2qje n GLU 550 N -3.86 0.22 -1.03 0.49 1.02 -0.75 -4.06 120.64 112.67 2qje n GLU 550 Ca -0.01 0.08 -0.02 0.00 -0.02 0.00 0.00 57.16 57.18 2qje n GLU 550 Cb 0.40 -1.65 0.15 0.00 -0.02 0.00 0.00 31.44 30.32 2qje n GLU 550 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qje n ASN 551 N -1.99 2.57 -3.83 1.62 3.02 -1.06 -3.18 115.26 112.40 2qje n ASN 551 Ca 0.04 -3.80 -0.09 0.00 -0.03 0.00 0.00 54.58 50.70 2qje n ASN 551 Cb 0.42 -0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 2qje n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2qje s THR 552 N -3.53 0.10 -1.48 3.41 -4.23 -1.22 -4.73 115.64 103.96 2qje s THR 552 Ca 0.41 -1.09 -0.12 0.00 -1.18 0.00 0.00 61.69 59.72 2qje s THR 552 Cb 0.38 -1.43 0.06 0.00 1.34 0.00 0.00 72.50 72.85 2qje s THR 552 CO -0.04 -0.48 1.04 0.59 -0.54 0.00 0.00 174.62 175.20 2qje n ASN 553 N -0.14 -5.22 0.00 3.99 4.13 0.03 -2.58 115.26 115.47 2qje n ASN 553 Ca -0.13 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.42 2qje n ASN 553 Cb 0.63 -4.25 0.00 0.00 -1.54 0.00 0.00 39.78 34.62 2qje n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qje n GLY 554 N -1.79 1.99 0.27 7.41 0.00 -1.26 -4.91 105.19 106.90 2qje n GLY 554 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 2qje n GLY 554 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qje h GLU 555 N 2.57 0.37 -6.01 1.61 4.39 -1.75 -3.40 114.58 112.36 2qje h GLU 555 Ca 0.00 -0.06 -0.68 0.00 0.34 0.00 0.00 59.36 58.96 2qje h GLU 555 Cb 0.00 -0.06 -0.20 0.00 -0.10 0.00 0.00 28.75 28.38 2qje h GLU 555 CO 0.00 0.38 -0.70 0.45 -1.16 0.00 0.00 179.01 177.98 2qje s SER 556 N -6.81 4.55 -0.02 1.42 0.15 -1.19 -4.93 113.70 106.87 2qje s SER 556 Ca -0.07 -0.07 0.21 0.00 0.70 0.00 0.00 55.95 56.71 2qje s SER 556 Cb 0.16 -1.24 0.61 0.00 -1.71 0.00 0.00 66.02 63.85 2qje s SER 556 CO 0.73 0.32 1.52 0.35 1.20 0.00 0.00 173.24 177.36 2qje n THR 557 N 2.48 1.12 -1.31 6.45 -2.24 -1.26 -4.21 114.28 115.31 2qje n THR 557 Ca -0.18 -1.03 -0.34 0.00 -2.27 0.00 0.00 64.05 60.23 2qje n THR 557 Cb 0.53 0.45 0.10 0.00 -2.10 0.00 0.00 70.33 69.31 2qje n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qje s ALA 558 N -1.12 2.02 0.27 6.98 0.00 -1.26 -4.76 121.76 123.88 2qje s ALA 558 Ca 0.46 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 53.21 2qje s ALA 558 Cb 0.25 -3.47 0.33 0.00 0.00 0.00 0.00 23.12 20.23 2qje s ALA 558 CO 0.30 -2.02 1.91 0.38 0.00 0.00 0.00 175.76 176.33 2qje h ASP 559 N -0.56 1.03 1.49 0.00 3.04 -2.00 0.32 116.42 119.75 2qje h ASP 559 Ca -0.47 -0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.25 2qje h ASP 559 Cb 1.29 -0.26 0.00 0.00 -1.04 0.00 0.00 39.33 39.32 2qje h ASP 559 CO 0.48 0.80 -0.33 4.11 -2.04 0.00 0.00 179.24 182.26 2qje h TRP 560 N 1.17 0.00 0.00 4.15 5.08 -1.99 -3.35 115.95 121.02 2qje h TRP 560 Ca 0.30 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.27 2qje h TRP 560 Cb -0.03 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.13 2qje h TRP 560 CO 0.01 0.00 -1.71 0.00 -1.28 0.00 0.00 178.44 175.45 2qje n ALA 561 N -2.02 2.88 -0.28 0.11 0.00 -1.11 -4.64 120.51 115.45 2qje n ALA 561 Ca 0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 53.44 53.03 2qje n ALA 561 Cb 0.50 -0.63 0.04 0.00 0.00 0.00 0.00 19.45 19.36 2qje n ALA 561 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qje n LYS 562 N -2.05 -0.16 -0.78 0.00 4.81 0.09 -1.54 118.16 118.53 2qje n LYS 562 Ca -0.03 1.14 0.07 0.00 -0.87 0.00 0.00 58.31 58.63 2qje n LYS 562 Cb 0.45 -1.69 0.37 0.00 0.02 0.00 0.00 35.03 34.18 2qje n LYS 562 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2qje n ASN 563 N -5.10 5.24 -4.76 3.14 3.02 -1.26 -4.47 115.26 111.06 2qje n ASN 563 Ca 0.08 -2.96 -0.40 0.00 -0.03 0.00 0.00 54.58 51.27 2qje n ASN 563 Cb 0.30 -0.65 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 2qje n ASN 563 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qje s LEU 564 N -2.80 4.58 -0.05 3.41 1.43 -0.59 -4.98 118.68 119.68 2qje s LEU 564 Ca 0.51 1.71 0.06 0.00 -1.03 0.00 0.00 54.13 55.39 2qje s LEU 564 Cb 0.40 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 2qje s LEU 564 CO 0.14 0.14 -0.25 -0.75 0.23 0.00 0.00 176.35 175.86 2qje s LYS 565 N -0.86 2.43 0.32 1.70 2.36 -1.26 -0.79 119.74 123.63 2qje s LYS 565 Ca 0.39 -0.90 0.05 0.00 -2.55 0.00 0.00 55.97 52.96 2qje s LYS 565 Cb -0.23 -2.11 0.70 0.00 -1.05 0.00 0.00 37.83 35.14 2qje s LYS 565 CO 0.28 0.41 1.84 0.00 1.55 0.00 0.00 175.35 179.42 2qje h ARG 566 N 5.96 0.80 0.00 4.03 3.08 -1.92 -0.68 114.38 125.65 2qje h ARG 566 Ca -0.34 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2qje h ARG 566 Cb 1.17 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2qje h ARG 566 CO 0.47 0.53 0.00 0.93 -1.07 0.00 0.00 179.97 180.83 2qje h GLU 567 N 0.83 0.00 -0.00 0.04 4.39 -2.02 -1.23 114.58 116.59 2qje h GLU 567 Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 2qje h GLU 567 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2qje h GLU 567 CO -0.26 0.00 -0.03 -0.25 -1.16 0.00 0.00 179.01 177.31 2qje n ASP 568 N -2.71 0.21 -4.54 1.42 8.00 -0.26 -4.77 116.55 113.89 2qje n ASP 568 Ca -0.01 -0.64 -0.25 0.00 0.71 0.00 0.00 54.79 54.60 2qje n ASP 568 Cb 0.15 -0.11 -0.09 0.00 -0.02 0.00 0.00 41.12 41.05 2qje n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2qje s PHE 569 N -2.31 2.53 0.01 1.24 0.40 -0.46 0.42 117.98 119.80 2qje s PHE 569 Ca 0.36 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 2qje s PHE 569 Cb 0.21 -1.19 -0.01 0.00 0.51 0.00 0.00 43.02 42.54 2qje s PHE 569 CO 0.42 0.57 -0.02 1.03 0.70 0.00 0.00 175.22 177.92 2qje s ARG 570 N -3.10 0.19 0.07 0.44 1.81 -0.13 -4.48 118.95 113.75 2qje s ARG 570 Ca 0.26 -0.27 -0.13 0.00 -1.72 0.00 0.00 55.73 53.88 2qje s ARG 570 Cb -0.07 -0.04 -0.06 0.00 -0.45 0.00 0.00 34.95 34.33 2qje s ARG 570 CO 0.15 0.00 0.44 -0.51 -0.68 0.00 0.00 175.30 174.71 2qje s LEU 571 N -0.59 4.40 -0.29 2.53 1.43 0.67 -1.15 118.68 125.67 2qje s LEU 571 Ca -0.05 0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 53.86 2qje s LEU 571 Cb -0.04 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 2qje s LEU 571 CO -0.00 0.21 0.22 -0.76 0.23 0.00 0.00 176.35 176.26 2qje s LEU 572 N -1.60 4.15 0.45 1.79 1.43 -0.10 -1.48 118.68 123.33 2qje s LEU 572 Ca 0.31 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2qje s LEU 572 Cb -0.15 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 2qje s LEU 572 CO 0.17 -0.11 0.68 0.00 0.23 0.00 0.00 176.35 177.31 2qje h LEU 574 N 0.38 0.00 -0.18 0.00 3.38 -1.88 -3.07 115.31 113.94 2qje h LEU 574 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2qje h LEU 574 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2qje h LEU 574 CO 0.57 0.00 -0.04 -0.90 0.09 0.00 0.00 178.44 178.16 2qje n ASP 575 N -2.79 0.33 0.00 -0.43 5.68 -1.26 -4.90 116.55 113.18 2qje n ASP 575 Ca 0.02 -0.69 0.00 0.00 -0.50 0.00 0.00 54.79 53.62 2qje n ASP 575 Cb 0.36 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 2qje n ASP 575 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qje n GLY 576 N 1.19 0.49 3.96 6.12 0.00 -1.16 -5.09 105.19 110.70 2qje n GLY 576 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2qje n GLY 576 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qje s THR 577 N -2.00 2.48 -0.08 2.61 -4.23 -1.26 -4.68 115.64 108.48 2qje s THR 577 Ca 0.00 -0.51 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 2qje s THR 577 Cb 0.00 -2.97 0.01 0.00 1.34 0.00 0.00 72.50 70.88 2qje s THR 577 CO 0.00 0.00 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.77 2qje s ARG 578 N -4.97 2.32 0.12 3.99 0.52 -1.26 -2.27 118.95 117.39 2qje s ARG 578 Ca 0.59 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 55.19 2qje s ARG 578 Cb -0.10 -1.83 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 2qje s ARG 578 CO 0.41 0.13 -0.09 0.15 0.02 0.00 0.00 175.30 175.92 2qje s LYS 579 N 0.43 0.93 0.82 3.54 1.02 -0.55 -4.93 119.74 121.01 2qje s LYS 579 Ca -0.15 -1.34 -0.13 0.00 0.02 0.00 0.00 55.97 54.38 2qje s LYS 579 Cb -0.16 -0.47 0.09 0.00 -0.52 0.00 0.00 37.83 36.77 2qje s LYS 579 CO 0.06 0.05 1.19 -2.14 -0.92 0.00 0.00 175.35 173.59 2qje s PRO 580 N -3.51 1.59 0.02 -1.68 0.02 -1.26 -0.24 135.00 129.94 2qje s PRO 580 Ca 0.12 1.70 0.11 0.00 0.02 0.00 0.00 61.00 62.95 2qje s PRO 580 Cb 0.02 -1.78 0.49 0.00 0.02 0.00 0.00 34.50 33.25 2qje s PRO 580 CO -0.01 -2.24 1.36 1.33 -0.33 0.00 0.00 177.00 177.11 2qje n VAL 581 N -3.42 1.26 1.05 3.83 0.24 -1.26 -1.47 118.33 118.55 2qje n VAL 581 Ca 0.13 0.33 0.14 0.00 -2.04 0.00 0.00 64.34 62.90 2qje n VAL 581 Cb 0.51 -1.16 0.60 0.00 -1.47 0.00 0.00 33.84 32.32 2qje n VAL 581 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2qje n THR 582 N -1.56 0.00 -1.09 3.34 -2.24 -1.26 -3.59 114.28 107.87 2qje n THR 582 Ca 0.02 -0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 2qje n THR 582 Cb 0.13 -0.42 0.28 0.00 -2.10 0.00 0.00 70.33 68.22 2qje n THR 582 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qje n GLU 583 N -1.47 3.41 0.11 -0.78 4.71 -0.54 -4.65 120.64 121.42 2qje n GLU 583 Ca 0.08 -3.08 0.07 0.00 -0.01 0.00 0.00 57.16 54.22 2qje n GLU 583 Cb 0.33 -2.17 0.54 0.00 -1.01 0.00 0.00 31.44 29.13 2qje n GLU 583 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qje h ALA 584 N 2.34 1.90 0.00 0.62 0.00 -1.75 -1.44 119.26 120.93 2qje h ALA 584 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2qje h ALA 584 Cb 2.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.01 2qje h ALA 584 CO 0.73 0.07 0.00 0.37 0.00 0.00 0.00 179.25 180.42 2qje h GLN 585 N 0.27 0.00 -0.07 0.00 5.75 -1.92 -2.33 115.11 116.82 2qje h GLN 585 Ca 0.10 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2qje h GLN 585 Cb 0.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.61 2qje h GLN 585 CO -0.02 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 175.03 2qje n SER 586 N -2.99 2.11 -2.96 -0.69 3.41 -0.58 -4.80 113.62 107.13 2qje n SER 586 Ca -0.02 -1.92 -0.15 0.00 -0.26 0.00 0.00 58.87 56.52 2qje n SER 586 Cb 0.13 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 2qje n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qje s HIS 588 N -0.63 1.50 -0.04 0.00 -0.00 -1.23 -4.71 115.29 110.19 2qje s HIS 588 Ca 0.32 -0.70 0.13 0.00 -0.00 0.00 0.00 55.06 54.80 2qje s HIS 588 Cb 0.26 -0.75 -0.13 0.00 -0.00 0.00 0.00 32.58 31.96 2qje s HIS 588 CO -0.12 0.18 1.07 -0.07 -0.00 0.00 0.00 174.74 175.81 2qje h LEU 589 N 2.64 0.00 -7.01 5.38 3.38 -0.76 -3.44 115.31 115.49 2qje h LEU 589 Ca -0.37 0.00 0.36 0.00 0.09 0.00 0.00 57.88 57.96 2qje h LEU 589 Cb 1.21 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.79 2qje h LEU 589 CO 0.63 0.77 0.98 0.00 0.09 0.00 0.00 178.44 180.91 2qje s ALA 590 N -2.80 -2.36 -0.17 1.53 0.00 -1.22 -5.00 121.76 111.74 2qje s ALA 590 Ca -0.00 1.41 -0.08 0.00 0.00 0.00 0.00 51.96 53.29 2qje s ALA 590 Cb 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2qje s ALA 590 CO 0.80 -0.81 0.09 0.54 0.00 0.00 0.00 175.76 176.37 2qje s VAL 591 N -2.04 5.03 -0.03 0.00 0.11 -1.26 -0.47 120.40 121.74 2qje s VAL 591 Ca 0.13 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2qje s VAL 591 Cb 0.04 -3.25 -0.04 0.00 -1.53 0.00 0.00 36.38 31.60 2qje s VAL 591 CO -0.05 0.49 0.04 0.00 -3.33 0.00 0.00 175.10 172.25 2qje s ALA 592 N 0.06 3.43 0.42 1.54 0.00 0.37 -4.90 121.76 122.69 2qje s ALA 592 Ca 0.07 -0.87 -0.24 0.00 0.00 0.00 0.00 51.96 50.91 2qje s ALA 592 Cb -0.12 -1.50 -0.08 0.00 0.00 0.00 0.00 23.12 21.42 2qje s ALA 592 CO 0.00 0.65 1.18 -1.25 0.00 0.00 0.00 175.76 176.34 2qje s PRO 593 N -1.46 3.94 0.72 0.00 0.04 -1.26 -1.36 135.00 135.63 2qje s PRO 593 Ca 0.19 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 2qje s PRO 593 Cb -0.12 -2.59 0.03 0.00 0.04 0.00 0.00 34.50 31.86 2qje s PRO 593 CO 0.10 -0.41 1.25 0.09 0.04 0.00 0.00 177.00 178.06 2qje n ASN 594 N -0.12 1.59 -4.73 6.66 3.02 -1.26 -4.47 115.26 115.95 2qje n ASN 594 Ca 0.05 0.72 -0.36 0.00 -0.03 0.00 0.00 54.58 54.96 2qje n ASN 594 Cb 0.47 -1.53 0.08 0.00 -0.61 0.00 0.00 39.78 38.18 2qje n ASN 594 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2qje s HIS 595 N -1.71 2.05 0.02 3.10 3.76 -1.26 -4.59 115.29 116.66 2qje s HIS 595 Ca 0.79 1.52 -0.08 0.00 -0.15 0.00 0.00 55.06 57.14 2qje s HIS 595 Cb -0.34 -3.64 0.00 0.00 1.11 0.00 0.00 32.58 29.71 2qje s HIS 595 CO 0.45 -2.85 0.16 0.00 -0.85 0.00 0.00 174.74 171.65 2qje s ALA 596 N -1.56 -0.31 0.08 -1.40 0.00 -0.13 -1.91 121.76 116.53 2qje s ALA 596 Ca 0.80 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 2qje s ALA 596 Cb -0.35 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2qje s ALA 596 CO 0.41 -0.30 1.06 0.08 0.00 0.00 0.00 175.76 177.02 2qje s VAL 597 N -2.12 4.35 0.19 0.00 1.01 -0.31 0.35 120.40 123.87 2qje s VAL 597 Ca -0.09 1.80 0.09 0.00 0.00 0.00 0.00 61.98 63.78 2qje s VAL 597 Cb -0.03 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2qje s VAL 597 CO -0.02 0.20 -0.17 0.68 0.00 0.00 0.00 175.10 175.79 2qje s VAL 598 N 0.55 1.89 0.30 2.92 -7.23 -0.82 -0.22 120.40 117.79 2qje s VAL 598 Ca 0.52 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 58.47 2qje s VAL 598 Cb -0.26 -1.97 0.02 0.00 0.56 0.00 0.00 36.38 34.73 2qje s VAL 598 CO 0.30 -0.41 0.61 -0.94 -0.31 0.00 0.00 175.10 174.35 2qje s SER 599 N -2.98 0.02 0.40 4.85 1.04 -0.83 -3.24 113.70 112.96 2qje s SER 599 Ca 0.20 -0.96 -0.25 0.00 0.48 0.00 0.00 55.95 55.42 2qje s SER 599 Cb -0.04 0.69 -0.08 0.00 0.10 0.00 0.00 66.02 66.69 2qje s SER 599 CO 0.08 -1.33 1.15 -0.13 0.98 0.00 0.00 173.24 173.98 2qje s ARG 600 N -3.51 4.08 0.50 4.02 0.52 -1.26 -0.74 118.95 122.56 2qje s ARG 600 Ca 0.19 1.79 0.16 0.00 -0.52 0.00 0.00 55.73 57.34 2qje s ARG 600 Cb -0.03 -2.66 1.22 0.00 0.52 0.00 0.00 34.95 34.00 2qje s ARG 600 CO 0.10 -0.28 2.11 0.66 0.02 0.00 0.00 175.30 177.91 2qje h SER 601 N 2.63 0.08 0.30 0.23 4.64 -1.93 -0.88 113.55 118.63 2qje h SER 601 Ca -0.49 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2qje h SER 601 Cb 1.23 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2qje h SER 601 CO 0.62 0.05 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 2qje n ASP 602 N -4.51 0.00 0.00 4.97 5.75 -1.26 -2.64 116.55 118.86 2qje n ASP 602 Ca -0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 2qje n ASP 602 Cb 0.16 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 2qje n ASP 602 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2qje n ARG 603 N -1.24 3.09 -0.16 0.11 5.12 -0.43 -4.81 116.66 118.33 2qje n ARG 603 Ca 0.10 -0.18 -0.02 0.00 -1.93 0.00 0.00 57.85 55.81 2qje n ARG 603 Cb 0.14 -0.65 0.05 0.00 -1.16 0.00 0.00 32.46 30.85 2qje n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qje h ALA 604 N 0.00 0.43 -0.60 7.54 0.00 -1.06 -1.06 119.26 124.52 2qje h ALA 604 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qje h ALA 604 Cb 0.03 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2qje h ALA 604 CO 0.00 -0.41 0.36 0.00 0.00 0.00 0.00 179.25 179.20 2qje h ALA 605 N 1.47 0.77 -0.28 0.00 0.00 -1.88 -1.81 119.26 117.53 2qje h ALA 605 Ca 0.25 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2qje h ALA 605 Cb 0.39 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2qje h ALA 605 CO -0.45 0.24 -0.33 1.25 0.00 0.00 0.00 179.25 179.96 2qje h HIS 606 N 0.81 0.88 -0.40 0.00 6.17 -1.80 -2.76 115.15 118.06 2qje h HIS 606 Ca 0.22 -0.28 -0.03 0.00 0.71 0.00 0.00 60.37 60.99 2qje h HIS 606 Cb -0.02 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 29.71 2qje h HIS 606 CO -0.02 1.04 0.11 0.28 0.71 0.00 0.00 177.93 180.05 2qje h VAL 607 N 0.47 1.17 0.16 5.26 2.07 -1.13 -2.45 116.25 121.81 2qje h VAL 607 Ca 0.04 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2qje h VAL 607 Cb 0.91 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2qje h VAL 607 CO 0.08 0.22 -0.08 -0.08 0.02 0.00 0.00 177.57 177.73 2qje h GLU 608 N 0.57 -0.21 -0.34 1.57 4.81 -1.22 -2.41 114.58 117.34 2qje h GLU 608 Ca 0.13 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2qje h GLU 608 Cb 0.19 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2qje h GLU 608 CO -0.01 0.07 0.17 0.37 -0.73 0.00 0.00 179.01 178.88 2qje h GLN 609 N -0.48 0.35 -0.90 1.92 4.15 -1.37 -1.56 115.11 117.23 2qje h GLN 609 Ca -0.02 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2qje h GLN 609 Cb 0.37 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 2qje h GLN 609 CO 0.04 0.23 0.50 0.28 -1.93 0.00 0.00 178.83 177.94 2qje h VAL 610 N 0.36 1.26 -0.08 2.39 2.07 -1.48 -2.73 116.25 118.04 2qje h VAL 610 Ca 0.14 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 66.87 2qje h VAL 610 Cb 0.05 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2qje h VAL 610 CO -0.10 0.29 -0.68 -0.07 0.02 0.00 0.00 177.57 177.03 2qje h LEU 611 N 1.25 0.39 -0.83 2.57 3.38 -1.13 -0.77 115.31 120.18 2qje h LEU 611 Ca 0.32 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2qje h LEU 611 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2qje h LEU 611 CO -0.05 0.96 -0.05 -0.07 0.09 0.00 0.00 178.44 179.31 2qje h LEU 612 N 0.24 0.80 -0.30 1.67 3.38 -1.12 -1.76 115.31 118.21 2qje h LEU 612 Ca -0.02 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.58 2qje h LEU 612 Cb 1.23 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2qje h LEU 612 CO 0.11 0.89 -0.43 -0.74 0.09 0.00 0.00 178.44 178.37 2qje h HIS 613 N 0.75 1.01 -0.45 1.13 2.76 -1.38 -2.95 115.15 116.03 2qje h HIS 613 Ca 0.14 -0.33 -0.01 0.00 -2.20 0.00 0.00 60.37 57.96 2qje h HIS 613 Cb 0.53 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 2qje h HIS 613 CO 0.03 1.14 0.22 1.96 -1.30 0.00 0.00 177.93 179.98 2qje h GLN 614 N 0.59 0.62 0.00 5.26 1.08 -0.87 -2.13 115.11 119.67 2qje h GLN 614 Ca 0.03 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2qje h GLN 614 Cb 1.02 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 2qje h GLN 614 CO 0.10 0.48 -0.07 -0.56 -0.95 0.00 0.00 178.83 177.83 2qje h GLN 615 N 0.63 0.00 0.00 1.46 3.07 -1.32 -1.26 115.11 117.69 2qje h GLN 615 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.80 2qje h GLN 615 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.60 2qje h GLN 615 CO -0.02 0.00 -0.48 0.00 0.09 0.00 0.00 178.83 178.42 2qje h ALA 616 N 2.07 1.17 0.00 0.06 0.00 -1.21 0.14 119.26 121.50 2qje h ALA 616 Ca 0.00 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 2qje h ALA 616 Cb 0.96 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2qje h ALA 616 CO 0.00 0.60 -0.82 -0.07 0.00 0.00 0.00 179.25 178.96 2qje h LEU 617 N 0.00 0.00 -2.61 0.00 3.38 -1.36 -1.74 115.31 112.99 2qje h LEU 617 Ca -0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2qje h LEU 617 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2qje h LEU 617 CO 0.06 1.22 0.00 0.49 0.09 0.00 0.00 178.44 180.31 2qje n PHE 618 N -4.52 0.45 -0.48 1.13 3.72 -0.49 0.16 117.46 117.44 2qje n PHE 618 Ca -0.22 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 2qje n PHE 618 Cb 0.54 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 2qje n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qje n GLY 619 N 0.73 -2.18 0.14 1.37 0.00 0.50 -1.64 105.19 104.11 2qje n GLY 619 Ca 0.13 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 2qje n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qje h LYS 620 N 0.00 0.18 -0.48 1.61 1.63 -1.80 -1.52 116.57 116.19 2qje h LYS 620 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2qje h LYS 620 Cb 0.00 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2qje h LYS 620 CO 0.00 0.12 0.00 0.09 -3.45 0.00 0.00 179.45 176.21 2qje n ASN 621 N -5.08 4.96 -4.59 4.20 5.03 -1.26 -4.89 115.26 113.63 2qje n ASN 621 Ca 0.01 -2.87 -0.36 0.00 0.87 0.00 0.00 54.58 52.22 2qje n ASN 621 Cb 0.14 -0.61 0.07 0.00 -1.02 0.00 0.00 39.78 38.36 2qje n ASN 621 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2qje n GLY 622 N 0.34 -0.58 0.37 7.41 0.00 -0.57 -4.91 105.19 107.24 2qje n GLY 622 Ca 0.25 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2qje n GLY 622 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qje h LYS 623 N -0.02 0.79 -0.15 1.61 6.56 -0.01 -3.06 116.57 122.30 2qje h LYS 623 Ca -0.47 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 2qje h LYS 623 Cb 1.35 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2qje h LYS 623 CO 0.48 0.53 0.00 0.09 -2.06 0.00 0.00 179.45 178.48 2qje n ASN 624 N -4.57 2.33 -4.52 0.86 3.02 0.43 -4.96 115.26 107.85 2qje n ASN 624 Ca 0.17 -1.91 -0.33 0.00 -0.03 0.00 0.00 54.58 52.48 2qje n ASN 624 Cb 0.40 -0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 39.35 2qje n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qje n PRO 626 N 2.67 0.18 -0.21 0.00 -0.05 -1.26 -4.43 135.00 131.89 2qje n PRO 626 Ca -0.18 0.04 0.00 0.00 -0.05 0.00 0.00 63.50 63.32 2qje n PRO 626 Cb 0.53 -1.60 0.12 0.00 -0.05 0.00 0.00 33.50 32.49 2qje n PRO 626 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 2qje h ASP 627 N 0.00 0.25 0.00 3.54 3.32 -1.94 -3.36 116.42 118.24 2qje h ASP 627 Ca 0.00 0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 2qje h ASP 627 Cb 0.65 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 2qje h ASP 627 CO 0.00 0.15 -1.44 0.29 -1.72 0.00 0.00 179.24 176.51 2qje n LYS 628 N -4.98 0.45 -3.66 3.56 5.02 0.53 -5.07 118.16 114.01 2qje n LYS 628 Ca 0.09 0.19 -0.14 0.00 -2.02 0.00 0.00 58.31 56.43 2qje n LYS 628 Cb 0.28 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 2qje n LYS 628 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qje s PHE 629 N -2.60 -0.65 -0.19 2.13 5.36 0.64 -5.00 117.98 117.67 2qje s PHE 629 Ca -0.27 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 57.24 2qje s PHE 629 Cb 0.07 0.24 0.03 0.00 -0.34 0.00 0.00 43.02 43.02 2qje s PHE 629 CO 0.37 -0.35 -0.17 0.00 -1.46 0.00 0.00 175.22 173.62 2qje h LEU 631 N 7.92 0.44 -3.24 0.00 6.46 -1.63 -3.21 115.31 122.05 2qje h LEU 631 Ca -0.38 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 2qje h LEU 631 Cb 1.12 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 2qje h LEU 631 CO 0.58 0.57 0.00 0.49 -0.62 0.00 0.00 178.44 179.46 2qje n PHE 632 N -4.23 1.73 -4.49 1.25 3.72 -1.26 -4.75 117.46 109.43 2qje n PHE 632 Ca 0.01 -0.64 -0.24 0.00 -0.05 0.00 0.00 57.45 56.52 2qje n PHE 632 Cb 0.29 -0.37 -0.13 0.00 -0.94 0.00 0.00 39.48 38.33 2qje n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2qje s LYS 633 N -2.27 1.26 -0.31 -1.08 3.01 -1.21 -4.22 119.74 114.92 2qje s LYS 633 Ca 0.51 -1.01 0.07 0.00 -1.01 0.00 0.00 55.97 54.53 2qje s LYS 633 Cb 0.36 -1.42 0.26 0.00 -1.01 0.00 0.00 37.83 36.02 2qje s LYS 633 CO 0.20 0.35 1.21 -1.13 0.51 0.00 0.00 175.35 176.49 2qje n SER 634 N 1.57 -1.35 -3.79 2.83 3.41 -1.26 -4.92 113.62 110.11 2qje n SER 634 Ca -0.18 -2.00 -0.29 0.00 -0.26 0.00 0.00 58.87 56.14 2qje n SER 634 Cb 0.53 0.80 0.01 0.00 -0.26 0.00 0.00 64.21 65.29 2qje n SER 634 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2qje n GLU 635 N -0.73 -0.86 -0.73 4.33 0.28 -1.26 -1.67 120.64 119.99 2qje n GLU 635 Ca -0.13 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.20 2qje n GLU 635 Cb 0.76 -1.86 0.00 0.00 1.43 0.00 0.00 31.44 31.77 2qje n GLU 635 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2qje n THR 636 N -3.25 0.00 1.14 3.84 -1.04 -1.26 -4.85 114.28 108.86 2qje n THR 636 Ca -0.19 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 61.95 2qje n THR 636 Cb 0.53 -0.33 0.41 0.00 -1.82 0.00 0.00 70.33 69.12 2qje n THR 636 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qje n LYS 637 N -1.86 0.32 -3.74 -2.82 5.02 -0.67 -4.88 118.16 109.53 2qje n LYS 637 Ca 0.00 -0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 55.90 2qje n LYS 637 Cb 0.03 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.57 2qje n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qje n ASN 638 N -1.20 -1.77 -4.70 4.39 5.03 -1.26 -4.93 115.26 110.82 2qje n ASN 638 Ca 0.09 -0.89 -0.40 0.00 0.87 0.00 0.00 54.58 54.25 2qje n ASN 638 Cb 0.33 -3.75 -0.05 0.00 -1.02 0.00 0.00 39.78 35.29 2qje n ASN 638 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2qje s LEU 639 N -6.66 4.26 0.00 3.41 1.43 -1.26 -4.33 118.68 115.53 2qje s LEU 639 Ca 0.09 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 2qje s LEU 639 Cb -0.03 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 43.07 2qje s LEU 639 CO 0.84 -0.22 0.00 0.18 0.23 0.00 0.00 176.35 177.38 2qje n LEU 640 N 4.34 0.00 -4.14 1.79 4.77 -1.26 -4.73 117.00 117.77 2qje n LEU 640 Ca 0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2qje n LEU 640 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 2qje n LEU 640 CO 0.47 0.00 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.79 2qje s PHE 641 N 0.00 0.78 0.36 -1.77 0.08 -1.26 -4.45 117.98 111.72 2qje s PHE 641 Ca 0.00 -0.87 -0.27 0.00 0.12 0.00 0.00 56.93 55.91 2qje s PHE 641 Cb 0.00 -0.47 -0.09 0.00 -0.57 0.00 0.00 43.02 41.89 2qje s PHE 641 CO 0.00 -0.18 1.15 -0.80 -0.10 0.00 0.00 175.22 175.29 2qje s ASN 642 N -2.77 6.81 0.27 1.36 0.01 -1.26 -4.40 114.94 114.96 2qje s ASN 642 Ca 0.07 2.32 0.23 0.00 -0.71 0.00 0.00 52.86 54.77 2qje s ASN 642 Cb 0.03 -2.62 1.02 0.00 0.41 0.00 0.00 41.25 40.09 2qje s ASN 642 CO -0.05 -0.47 1.69 0.47 -1.51 0.00 0.00 177.10 177.23 2qje n ASP 643 N 0.47 0.62 -1.53 -1.22 8.00 -1.26 -2.35 116.55 119.28 2qje n ASP 643 Ca 0.02 0.69 0.07 0.00 0.71 0.00 0.00 54.79 56.28 2qje n ASP 643 Cb 0.46 -0.81 0.32 0.00 -0.02 0.00 0.00 41.12 41.07 2qje n ASP 643 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2qje n ASN 644 N -2.23 4.54 -4.70 -2.24 6.94 -1.26 -4.77 115.26 111.54 2qje n ASN 644 Ca 0.01 -2.60 -0.42 0.00 -0.02 0.00 0.00 54.58 51.55 2qje n ASN 644 Cb 0.17 -0.60 -0.03 0.00 -2.36 0.00 0.00 39.78 36.96 2qje n ASN 644 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2qje s THR 645 N -2.17 4.62 -0.08 5.53 2.01 -0.99 -4.43 115.64 120.12 2qje s THR 645 Ca 0.44 1.89 -0.14 0.00 0.31 0.00 0.00 61.69 64.18 2qje s THR 645 Cb 0.31 -4.21 -0.29 0.00 0.01 0.00 0.00 72.50 68.32 2qje s THR 645 CO 0.16 0.08 0.62 -0.08 -0.69 0.00 0.00 174.62 174.71 2qje h GLU 646 N 6.99 0.31 -2.43 4.92 4.81 -0.43 -3.47 114.58 125.28 2qje h GLU 646 Ca -0.37 -0.52 0.16 0.00 -0.13 0.00 0.00 59.36 58.49 2qje h GLU 646 Cb 1.19 0.19 -0.08 0.00 0.63 0.00 0.00 28.75 30.68 2qje h GLU 646 CO 0.81 1.25 0.45 0.00 -0.73 0.00 0.00 179.01 180.79 2qje s LEU 648 N -2.90 4.03 0.08 0.00 1.43 -1.26 -0.64 118.68 119.41 2qje s LEU 648 Ca 0.11 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2qje s LEU 648 Cb -0.02 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2qje s LEU 648 CO 0.02 -0.08 0.20 0.00 0.23 0.00 0.00 176.35 176.72 2qje s ALA 649 N 1.83 3.94 0.61 4.21 0.00 0.13 -4.67 121.76 127.81 2qje s ALA 649 Ca 0.09 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 50.99 2qje s ALA 649 Cb -0.16 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2qje s ALA 649 CO 0.11 0.78 1.12 0.15 0.00 0.00 0.00 175.76 177.91 2qje s LYS 650 N -2.60 3.01 -0.15 0.00 1.02 -0.21 -1.01 119.74 119.81 2qje s LYS 650 Ca 0.34 1.49 -0.12 0.00 0.02 0.00 0.00 55.97 57.70 2qje s LYS 650 Cb -0.13 -1.97 -0.06 0.00 -0.52 0.00 0.00 37.83 35.15 2qje s LYS 650 CO 0.27 -1.10 -0.10 -0.07 -0.92 0.00 0.00 175.35 173.44 2qje h LEU 651 N 0.50 0.00 -1.37 3.17 3.38 -1.90 -3.45 115.31 115.63 2qje h LEU 651 Ca -0.48 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2qje h LEU 651 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2qje h LEU 651 CO 0.55 0.90 -0.80 0.61 0.09 0.00 0.00 178.44 179.80 2qje n GLY 652 N 1.58 -5.09 0.00 0.83 0.00 -1.26 -4.75 105.19 96.50 2qje n GLY 652 Ca -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2qje n GLY 652 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qje n GLY 653 N 1.50 1.10 2.35 -0.02 0.00 -1.26 -4.74 105.19 104.12 2qje n GLY 653 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qje n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qje n ARG 654 N -1.09 -0.11 -2.45 1.61 1.74 -1.26 -4.74 116.66 110.36 2qje n ARG 654 Ca 0.00 -0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.62 2qje n ARG 654 Cb 0.00 0.10 -0.04 0.00 -1.02 0.00 0.00 32.46 31.50 2qje n ARG 654 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2qje s PRO 655 N -2.09 4.62 1.05 5.56 0.04 -1.26 -5.07 135.00 137.85 2qje s PRO 655 Ca 0.00 1.83 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 2qje s PRO 655 Cb 0.00 -3.18 0.22 0.00 0.04 0.00 0.00 34.50 31.58 2qje s PRO 655 CO 0.00 0.18 1.20 0.95 0.04 0.00 0.00 177.00 179.38 2qje s THR 656 N -1.12 1.83 0.16 1.26 -4.23 -1.26 -4.67 115.64 107.61 2qje s THR 656 Ca 0.45 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.17 2qje s THR 656 Cb -0.32 -2.75 0.19 0.00 1.34 0.00 0.00 72.50 70.96 2qje s THR 656 CO 0.42 0.00 1.79 0.10 -0.54 0.00 0.00 174.62 176.39 2qje h TYR 657 N -2.00 0.00 -0.20 3.99 -0.00 -1.94 -0.15 116.97 116.66 2qje h TYR 657 Ca -0.46 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.10 2qje h TYR 657 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.01 2qje h TYR 657 CO -1.32 0.29 -0.54 0.93 -0.00 0.00 0.00 178.16 177.52 2qje h GLU 658 N 0.00 0.73 -0.06 0.10 5.08 -1.95 -0.38 114.58 118.09 2qje h GLU 658 Ca -0.00 -0.51 -0.13 0.00 -1.00 0.00 0.00 59.36 57.72 2qje h GLU 658 Cb 0.80 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2qje h GLU 658 CO 0.04 1.13 -0.55 0.93 -1.00 0.00 0.00 179.01 179.56 2qje h GLU 659 N 0.44 0.18 -0.02 2.33 5.08 -1.87 0.24 114.58 120.96 2qje h GLU 659 Ca -0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 2qje h GLU 659 Cb 1.16 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2qje h GLU 659 CO 0.12 0.69 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.87 2qje h TYR 660 N 0.14 0.07 -0.09 4.33 3.20 -0.84 -3.12 116.97 120.66 2qje h TYR 660 Ca -0.00 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2qje h TYR 660 Cb 1.01 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 2qje h TYR 660 CO 0.01 0.52 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.70 2qje h LEU 661 N -0.41 0.16 0.00 2.82 3.38 -1.02 -3.48 115.31 116.76 2qje h LEU 661 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qje h LEU 661 Cb 0.51 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2qje h LEU 661 CO 0.01 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.60 2qje n GLY 662 N -0.55 -0.59 0.37 0.83 0.00 0.84 -4.34 105.19 101.76 2qje n GLY 662 Ca -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2qje n GLY 662 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qje h THR 663 N 0.00 1.19 0.88 2.61 1.35 -1.89 -0.51 112.91 116.55 2qje h THR 663 Ca 0.00 -0.41 -0.04 0.00 -0.55 0.00 0.00 66.41 65.41 2qje h THR 663 Cb 0.00 -0.11 0.01 0.00 -1.73 0.00 0.00 68.15 66.32 2qje h THR 663 CO 0.00 0.22 -0.43 -0.33 -0.25 0.00 0.00 175.52 174.73 2qje h GLU 664 N 1.19 -1.15 -0.87 4.72 5.08 -1.95 -2.56 114.58 119.05 2qje h GLU 664 Ca 0.35 0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.83 2qje h GLU 664 Cb -0.06 0.26 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2qje h GLU 664 CO -0.09 -0.77 0.56 -0.92 -1.00 0.00 0.00 179.01 176.78 2qje h TYR 665 N -1.19 1.04 -0.78 4.33 3.20 -1.71 -2.69 116.97 119.16 2qje h TYR 665 Ca -0.12 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.73 2qje h TYR 665 Cb 0.92 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2qje h TYR 665 CO -0.02 0.59 0.31 0.28 -1.64 0.00 0.00 178.16 177.68 2qje h VAL 666 N 1.07 1.26 -0.08 1.81 2.07 -1.07 -2.24 116.25 119.06 2qje h VAL 666 Ca 0.35 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.94 2qje h VAL 666 Cb 0.03 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2qje h VAL 666 CO -0.12 0.34 -0.44 0.71 0.02 0.00 0.00 177.57 178.07 2qje h THR 667 N 1.14 1.32 -0.28 2.57 1.35 -1.25 -2.58 112.91 115.18 2qje h THR 667 Ca 0.26 -1.59 0.02 0.00 -0.55 0.00 0.00 66.41 64.55 2qje h THR 667 Cb 0.22 1.76 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 2qje h THR 667 CO -0.02 0.47 0.14 0.00 -0.25 0.00 0.00 175.52 175.86 2qje h ALA 668 N 1.39 0.34 -0.65 6.62 0.00 -1.09 -1.56 119.26 124.31 2qje h ALA 668 Ca 0.01 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2qje h ALA 668 Cb 0.85 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2qje h ALA 668 CO 0.07 -0.25 0.09 0.82 0.00 0.00 0.00 179.25 179.98 2qje h ILE 669 N 0.30 1.26 -0.57 0.00 2.04 -1.33 -2.57 117.51 116.64 2qje h ILE 669 Ca 0.12 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.94 2qje h ILE 669 Cb 0.04 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2qje h ILE 669 CO -0.08 0.39 0.37 0.00 0.00 0.00 0.00 178.15 178.83 2qje h ALA 670 N 1.08 0.73 0.10 1.87 0.00 -1.17 -0.76 119.26 121.10 2qje h ALA 670 Ca 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2qje h ALA 670 Cb 0.45 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2qje h ALA 670 CO 0.01 0.17 -0.20 -0.91 0.00 0.00 0.00 179.25 178.33 2qje h ASN 671 N 0.78 -0.56 0.07 0.00 2.35 -1.07 -2.71 115.58 114.43 2qje h ASN 671 Ca 0.21 0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.96 2qje h ASN 671 Cb -0.08 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2qje h ASN 671 CO -0.04 -0.28 -0.22 0.25 -1.65 0.00 0.00 177.43 175.48 2qje h LEU 672 N -0.38 0.26 -0.00 1.61 5.85 -1.28 -2.91 115.31 118.46 2qje h LEU 672 Ca 0.03 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2qje h LEU 672 Cb 0.40 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2qje h LEU 672 CO -0.12 0.50 0.00 0.29 -0.34 0.00 0.00 178.44 178.77 2qje n LYS 673 N -4.18 0.06 -0.04 1.25 5.02 -0.31 -2.60 118.16 117.36 2qje n LYS 673 Ca -0.01 0.05 0.03 0.00 -2.02 0.00 0.00 58.31 56.36 2qje n LYS 673 Cb 0.34 -1.57 0.12 0.00 -0.02 0.00 0.00 35.03 33.90 2qje n LYS 673 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2qje n LYS 674 N -1.68 1.20 -0.09 1.97 2.85 -1.04 -1.42 118.16 119.96 2qje n LYS 674 Ca 0.07 -0.31 0.11 0.00 -1.05 0.00 0.00 58.31 57.13 2qje n LYS 674 Cb 0.36 -1.11 0.34 0.00 -0.65 0.00 0.00 35.03 33.96 2qje n LYS 674 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2qje n SER 676 N 0.65 0.00 0.00 0.00 3.41 -0.51 -5.06 113.62 112.11 2qje n SER 676 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2qje n SER 676 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2qje n SER 676 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qje n LEU 681 N 0.00 0.00 0.00 1.04 4.32 -1.26 -4.98 117.00 116.12 2qje n LEU 681 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2qje n LEU 681 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2qje n LEU 681 CO 0.00 0.00 0.00 1.21 -1.22 0.00 0.00 177.39 177.38 2qje n GLU 682 N 0.00 0.00 -3.80 3.23 0.00 -1.26 -4.91 120.64 113.90 2qje n GLU 682 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.87 2qje n GLU 682 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.32 2qje n GLU 682 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qje s ALA 683 N -2.30 3.05 0.00 4.31 0.00 -1.26 -4.92 121.76 120.64 2qje s ALA 683 Ca 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 51.96 48.66 2qje s ALA 683 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.09 2qje s ALA 683 CO 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 175.76 173.70