NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -12 M 4.4889 8.2893 120.3237 55.4390 33.3516 174.6748 -11 R 4.3055 8.4179 115.8233 55.9507 31.5244 174.5798 -10 G 4.2592 7.5584 105.4227 44.1702 0.0000 171.9951 -9 S 4.5781 8.0300 113.1411 58.7352 67.8186 173.8321 -8 H 4.8636 7.6198 117.8052 52.6645 33.0316 174.0586 -7 H 4.5398 8.3398 115.5512 55.5008 29.5375 174.3085 -6 H 4.3160 8.6389 118.8159 57.1327 30.2909 175.0443 -5 H 4.3772 7.6141 118.9739 54.7847 29.7506 174.7900 -4 H 4.5951 8.3255 121.2383 55.5816 31.0615 173.2681 -3 H 5.3117 6.9663 117.7470 53.9765 32.9589 171.9025 -2 G 3.9869 7.9219 106.0661 47.6025 0.0000 173.4832 -1 S 4.2941 8.2062 108.6888 57.8466 63.3384 174.7483 *309 N 4.4316 8.6335 123.1948 53.4701 39.6893 172.9242 310 A 4.6158 8.1605 124.6264 52.0143 22.3856 174.6822 311 K 4.4105 8.0281 117.9709 56.4305 34.0553 175.3431 312 F 4.4828 8.0427 118.0741 57.3894 40.1520 173.8386 313 G 4.1000 8.0941 115.6158 43.3758 0.0000 170.9480 314 L 5.1248 7.9186 124.2713 53.7128 44.7207 174.8026 315 W 4.7743 8.3665 114.7517 56.3036 30.2828 173.8165 316 V 3.4484 7.9150 112.7378 60.2823 31.5928 175.6544 317 D 4.0054 8.1142 120.6224 54.9136 42.0459 174.3489 318 G 4.5176 8.1263 118.5586 45.6693 0.0000 172.3099 319 N 5.0620 9.2346 120.0295 52.7323 39.4399 174.4518 320 C 4.3302 8.3931 118.5890 54.6317 44.3568 172.3064 321 E 4.3258 7.9301 120.5218 55.2986 29.9187 177.2526 322 D 4.5753 8.6026 118.4565 56.4596 39.1246 176.9207 323 I 3.9879 7.0853 114.8119 59.3992 40.8453 172.0027 324 P 4.4442 0.0000 0.0000 62.3118 31.9632 176.1035 325 H 4.5153 7.9095 117.6129 54.6236 30.2086 172.0080 326 V 4.5867 7.4880 117.1180 58.9665 36.2678 174.8834 327 N 4.7244 9.0998 120.5314 52.6296 39.2820 174.3346 328 E 4.8400 8.7583 124.1130 55.5091 31.3869 176.4892 329 F 4.6578 9.3448 126.7661 55.7932 40.6485 173.5172 330 P 4.0974 0.0000 0.0000 65.1067 31.6512 177.0039 331 A 4.0943 7.4525 122.6967 52.0598 17.4827 176.5690 332 I 5.5139 7.8560 121.1612 61.5172 39.2106 176.2061 333 D 4.5279 8.5792 119.7683 56.5618 41.0128 177.6355 334 L 4.2001 7.9457 116.2059 55.3815 42.7833 175.8481 335 F 4.8592 8.0247 115.4519 55.3391 42.9328 172.8647 336 E 5.1427 8.4934 120.4004 54.3660 32.5751 175.2652 337 C 3.8263 9.0076 118.2101 57.7507 41.9414 175.4744 338 N 4.7228 8.2012 116.7015 55.4247 38.2955 176.0031 339 K 3.8951 7.9265 118.7890 58.3273 32.3052 176.0062 340 L 4.4544 7.5664 121.0719 53.4048 41.1277 175.3259 341 V 4.0035 8.0805 125.0362 61.5155 33.5721 176.7968 342 F 5.0484 7.8163 119.6683 56.3303 38.2940 175.5072 343 E 4.6951 8.0371 114.8200 56.1496 30.6739 177.0536 344 L 4.5279 8.0312 119.5289 56.8067 42.9561 177.5464 345 S 4.4775 8.1371 110.6554 59.0248 63.3825 174.2522 346 A 4.2665 7.8547 123.3737 52.1200 18.5441 179.1143 347 S 4.0360 8.0555 113.1421 61.4109 62.5173 174.3311 348 D 4.5952 7.8547 116.9865 53.5954 41.0264 175.2478 349 Q 3.8838 7.8921 119.9443 55.9551 28.9210 174.7250 350 P 4.5545 0.0000 0.0000 62.1941 32.8299 175.8223 351 K 4.2349 8.2592 117.4096 55.8549 32.9985 176.8636 352 Q 4.2050 8.3207 121.4422 55.3968 27.9929 175.6871 353 Y 3.9056 8.5586 127.6940 59.8810 38.6577 175.1450 354 E 4.4020 6.9978 115.6375 55.4312 32.5506 176.1695 355 Q 4.7059 7.1348 118.4088 57.4768 32.0892 173.7788 356 H 5.6378 8.8270 114.6790 54.9597 28.9446 174.8936 357 L 4.5641 7.8146 123.5583 56.5377 43.5983 177.6360 358 T 4.4424 7.8074 113.1577 63.9315 68.5410 175.8434 359 D 4.3606 7.7137 122.7826 56.8162 40.7841 177.8165 360 Y 4.2934 8.0877 118.3915 59.8112 37.8188 178.0224 361 E 3.9698 7.0126 119.1096 58.6227 29.5105 178.4330 362 K 4.2216 8.2259 119.2624 57.3813 31.9192 178.5255 363 I 3.7663 7.7324 114.3224 63.4176 37.3339 177.3978 364 K 4.3783 7.5234 117.8112 57.8801 32.9908 177.3760 365 E 4.6943 7.9684 120.0151 56.3390 29.5776 178.2262 366 G 3.5204 8.1012 110.9408 48.4270 0.0000 174.0372 367 F 4.2401 7.4120 118.7225 57.8311 37.3173 175.4745 368 K 4.6835 8.2100 130.0422 56.3991 33.0189 177.1118 369 N 4.7479 8.3974 118.3174 55.0956 40.6271 174.9359 370 K 4.4250 7.9991 115.4763 57.1640 34.0387 177.0358 371 N 4.5294 8.0833 115.5078 55.2881 39.1961 177.1062 372 A 3.9797 8.0786 120.8006 54.4900 18.5780 178.2655 373 S 5.4505 7.9451 107.3889 57.7815 62.8763 174.7014 374 M 4.3869 7.8726 118.4696 56.5469 33.1877 176.0891 375 I 4.4495 7.4624 116.2102 62.5903 39.7923 176.5043 376 K 4.0014 8.0211 120.1146 59.5025 32.4626 177.3347 377 S 4.6546 7.8591 112.1876 57.4757 63.9174 173.4987 378 A 4.4439 8.2454 125.6607 52.2327 20.2008 177.9184 379 F 4.5904 8.0430 120.5533 56.4234 38.8382 175.1870 380 L 4.7497 7.5121 131.4863 53.9195 40.9087 177.3318 381 P 4.4354 0.0000 0.0000 62.2891 29.8926 178.1918 382 T 4.5660 6.9997 113.0911 62.0103 69.2713 173.4769 383 G 3.3866 8.2214 113.1546 48.0961 0.0000 172.6672 384 A 3.9163 8.0722 122.0591 55.2032 18.5520 179.2802 385 F 4.6140 7.4216 112.7791 57.6424 39.3337 177.7358 386 K 4.3209 7.9272 122.1280 58.3456 32.3835 176.6334 387 A 3.9640 8.0481 119.7621 54.5101 18.2300 178.7354 388 D 4.5947 7.9970 116.4745 57.4219 41.5630 178.8092 389 R 4.1342 8.0586 116.1571 57.8909 30.4550 176.5938 390 Y 3.9909 7.5996 119.3918 57.3133 39.2299 175.8387 391 K 4.1858 7.9226 123.5730 56.7536 33.3232 177.1098 392 S 4.7279 8.2099 115.3065 58.3596 62.2087 176.0932 393 H 4.1889 8.2399 116.2610 58.3194 28.7247 176.8042 394 G 3.7793 7.7100 107.1603 45.5945 0.0000 173.8817 395 K 3.8444 8.0259 120.2308 57.2263 32.7916 175.6589 396 G 3.6520 7.3921 118.0659 46.0190 0.0000 173.2555 397 Y 4.4448 7.1177 117.6047 55.0870 41.9908 174.1772 398 N 5.0571 8.3097 114.7109 53.1189 37.7742 177.8238 399 W 5.4790 7.4428 118.1288 56.7000 25.9453 177.2523 400 G 4.2521 8.0772 114.3616 45.9279 0.0000 169.6186 401 N 6.1306 8.0502 114.9912 51.5268 43.7527 174.0061 402 Y 4.5720 9.1917 118.7312 55.8392 41.7608 174.3063 403 N 5.2887 8.9335 124.0664 52.8480 38.8705 173.1126 404 T 4.7047 8.0529 114.0385 59.5881 72.0758 175.0311 405 E 4.2107 8.8063 122.4102 58.5410 29.7115 176.3826 406 T 4.2707 6.4493 111.3454 62.8116 70.5589 174.4774 407 Q 4.7906 7.6577 122.1790 55.9284 31.1539 173.0656 408 K 4.9347 9.3345 124.3985 54.3412 36.2682 174.1656 409 C 4.6099 8.8330 120.2212 55.1753 47.0616 172.2148 410 E 5.5659 8.7714 126.1284 53.9145 31.6495 175.0439 411 I 4.9667 8.0257 123.6457 59.7067 41.3729 173.8266 412 F 4.5509 7.5808 125.0207 57.3342 43.0628 172.8553 413 N 3.1400 5.7700 116.0814 51.9916 41.7107 173.5982 414 V 3.0266 6.5240 118.0211 60.6858 31.6934 175.6842 415 K 3.8254 8.2381 120.7054 56.8375 32.2556 174.8916 416 P 4.5685 0.0000 0.0000 62.2532 34.0827 175.8909 417 T 4.3367 8.1036 105.9100 61.4313 67.5771 173.6239 418 C 4.8445 7.3867 120.9907 55.2198 47.5684 173.0339 419 L 4.4176 7.7935 122.6638 53.4901 40.6049 177.9036 420 I 4.2677 6.8054 111.4510 59.7133 38.5460 173.2127 421 N 4.5126 8.3163 118.3334 52.8493 39.2931 174.0479 422 N 4.8224 8.3689 124.6388 51.9551 41.2365 175.0086 423 S 4.4751 8.0023 113.9510 58.8150 62.5742 173.7404 424 S 5.2668 8.5018 122.2353 59.4599 63.7792 174.3918 425 Y 4.5206 8.9294 124.5154 56.8181 40.6703 172.6182 426 I 4.2896 7.9730 125.1388 60.4673 37.7149 174.7953 427 A 3.9756 8.1706 126.1329 51.6747 22.0208 175.6565 428 T 3.9496 9.2883 120.1117 65.2734 67.6701 174.2329 429 T 4.5338 7.6122 120.9352 61.1941 69.6903 174.4554 430 A 4.2169 8.6152 132.0177 54.9510 18.8210 177.7707 431 L 4.3459 7.2432 114.5211 54.3110 45.2072 173.9933 432 S 4.8520 8.3884 119.6624 56.5546 65.7914 172.1870 433 H 4.6579 8.5980 118.2347 54.3420 29.5453 174.2669 434 P 4.4305 0.0000 0.0000 66.0520 31.6064 178.0091 435 I 3.9424 7.8219 118.5992 62.9045 37.4936 175.7328 436 E 4.3210 8.2128 123.2753 56.4047 29.5640 175.6305 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -12 M 8.29 4.49 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 -11 R 8.42 4.31 0.00 1.93 1.98 0.00 2.98 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 -10 G 7.56 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -9 S 8.03 4.58 0.00 3.94 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -8 H 7.62 4.86 0.00 3.08 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -7 H 8.34 4.54 0.00 3.28 3.38 0.00 5.55 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 H 8.64 4.32 0.00 3.08 3.24 0.00 5.91 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 H 7.61 4.38 0.00 2.65 2.32 0.00 5.76 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.33 4.60 0.00 3.15 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 6.97 5.31 0.00 3.08 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 G 7.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 S 8.21 4.29 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *309 N 8.63 4.43 0.00 2.93 2.93 0.00 0.00 7.30 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 310 A 8.16 4.62 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 311 K 8.03 4.41 0.00 1.74 1.95 0.00 2.00 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.48 7.81 312 F 8.04 4.48 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 G 8.09 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 314 L 7.92 5.12 0.00 1.66 1.69 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 315 W 8.37 4.77 0.00 3.31 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 316 V 7.92 3.45 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.91 0.00 0.00 317 D 8.11 4.01 0.00 2.43 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 318 G 8.13 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 319 N 9.23 5.06 0.00 2.69 2.79 0.00 0.00 6.70 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 320 C 8.39 4.33 0.00 1.49 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 321 E 7.93 4.33 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 322 D 8.60 4.58 0.00 2.90 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 323 I 7.09 3.99 1.97 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.12 1.00 0.00 0.00 324 P 0.00 4.44 0.00 1.82 1.61 0.00 3.24 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.54 0.00 325 H 7.91 4.52 0.00 3.05 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 326 V 7.49 4.59 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.77 0.00 0.00 327 N 9.10 4.72 0.00 2.85 2.80 0.00 0.00 7.44 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 328 E 8.76 4.84 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 329 F 9.34 4.66 0.00 3.13 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 330 P 0.00 4.10 0.00 2.18 2.15 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 331 A 7.45 4.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 332 I 7.86 5.51 2.06 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 1.08 0.00 0.00 333 D 8.58 4.53 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 334 L 7.95 4.20 0.00 1.80 1.50 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 335 F 8.02 4.86 0.00 3.20 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 336 E 8.49 5.14 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 337 C 9.01 3.83 0.00 2.83 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 338 N 8.20 4.72 0.00 2.76 2.99 0.00 0.00 7.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 339 K 7.93 3.90 0.00 1.88 1.86 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.45 7.81 340 L 7.57 4.45 0.00 1.36 1.33 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 341 V 8.08 4.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.30 0.00 0.00 342 F 7.82 5.05 0.00 3.28 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 343 E 8.04 4.70 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 344 L 8.03 4.53 0.00 1.76 1.87 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 345 S 8.14 4.48 0.00 3.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 346 A 7.85 4.27 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 347 S 8.06 4.04 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 348 D 7.85 4.60 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 349 Q 7.89 3.88 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 350 P 0.00 4.55 0.00 2.24 2.09 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 351 K 8.26 4.23 0.00 1.82 1.82 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.45 7.81 352 Q 8.32 4.21 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 353 Y 8.56 3.91 0.00 2.93 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 354 E 7.00 4.40 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 355 Q 7.13 4.71 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.14 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 356 H 8.83 5.64 0.00 3.23 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 357 L 7.81 4.56 0.00 1.85 1.72 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 358 T 7.81 4.44 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 359 D 7.71 4.36 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 360 Y 8.09 4.29 0.00 3.25 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 361 E 7.01 3.97 0.00 2.05 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 362 K 8.23 4.22 0.00 1.94 1.87 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.33 7.81 363 I 7.73 3.77 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.57 1.02 0.00 0.00 364 K 7.52 4.38 0.00 2.09 2.01 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.48 7.81 365 E 7.97 4.69 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 366 G 8.10 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 367 F 7.41 4.24 0.00 3.06 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 368 K 8.21 4.68 0.00 1.81 1.84 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.36 7.81 369 N 8.40 4.75 0.00 2.74 2.95 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 370 K 8.00 4.42 0.00 1.76 1.81 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.44 7.81 371 N 8.08 4.53 0.00 2.77 2.85 0.00 0.00 7.26 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 372 A 8.08 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 373 S 7.95 5.45 0.00 3.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 374 M 7.87 4.39 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 375 I 7.46 4.45 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 0.90 0.00 0.00 376 K 8.02 4.00 0.00 1.68 2.03 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.49 7.81 377 S 7.86 4.65 0.00 3.84 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 378 A 8.25 4.44 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 379 F 8.04 4.59 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 380 L 7.51 4.75 0.00 1.72 1.65 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 381 P 0.00 4.44 0.00 2.00 1.80 0.00 2.93 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.00 382 T 7.00 4.57 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 383 G 8.22 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 384 A 8.07 3.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 385 F 7.42 4.61 0.00 3.13 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 386 K 7.93 4.32 0.00 1.91 1.80 0.00 1.86 0.00 0.00 2.10 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.75 1.62 7.81 387 A 8.05 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 388 D 8.00 4.59 0.00 2.76 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 389 R 8.06 4.13 0.00 1.90 2.06 0.00 3.33 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 390 Y 7.60 3.99 0.00 3.17 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 391 K 7.92 4.19 0.00 1.64 1.74 0.00 1.42 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.43 7.81 392 S 8.21 4.73 0.00 3.89 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 393 H 8.24 4.19 0.00 3.32 3.57 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 394 G 7.71 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 395 K 8.03 3.84 0.00 2.13 2.31 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.43 7.81 396 G 7.39 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 397 Y 7.12 4.44 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 398 N 8.31 5.06 0.00 2.95 3.02 0.00 0.00 7.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 399 W 7.44 5.48 0.00 3.31 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 400 G 8.08 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 401 N 8.05 6.13 0.00 2.63 2.55 0.00 0.00 6.97 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 402 Y 9.19 4.57 0.00 2.89 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 403 N 8.93 5.29 0.00 2.81 2.77 0.00 0.00 7.09 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 404 T 8.05 4.70 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 405 E 8.81 4.21 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 406 T 6.45 4.27 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 407 Q 7.66 4.79 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.84 0.00 0.00 0.00 0.00 0.00 2.17 2.42 0.00 408 K 9.33 4.93 0.00 1.72 1.73 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.39 7.81 409 C 8.83 4.61 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 410 E 8.77 5.57 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.02 0.00 411 I 8.03 4.97 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.99 0.00 0.00 412 F 7.58 4.55 0.00 3.12 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 413 N 5.77 3.14 0.00 2.34 2.16 0.00 0.00 6.83 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 414 V 6.52 3.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.88 0.00 0.00 415 K 8.24 3.83 0.00 1.86 1.86 0.00 1.55 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.41 7.81 416 P 0.00 4.57 0.00 2.16 2.15 0.00 3.88 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.14 0.00 417 T 8.10 4.34 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 418 C 7.39 4.84 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 419 L 7.79 4.42 0.00 1.98 1.92 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 420 I 6.81 4.27 1.76 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.30 0.59 0.00 0.00 421 N 8.32 4.51 0.00 2.71 2.72 0.00 0.00 7.22 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 422 N 8.37 4.82 0.00 2.76 2.82 0.00 0.00 7.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 423 S 8.00 4.48 0.00 3.98 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 424 S 8.50 5.27 0.00 3.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 425 Y 8.93 4.52 0.00 3.31 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 I 7.97 4.29 1.73 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.67 0.00 0.00 427 A 8.17 3.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 428 T 9.29 3.95 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 429 T 7.61 4.53 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 430 A 8.62 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 431 L 7.24 4.35 0.00 1.55 1.52 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 432 S 8.39 4.85 0.00 3.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 433 H 8.60 4.66 0.00 3.26 3.37 0.00 5.77 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 434 P 0.00 4.43 0.00 2.19 2.18 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 435 I 7.82 3.94 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.97 0.00 0.00 436 E 8.21 4.32 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.