NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2903 8.3449 119.6856 55.7749 30.1634 174.5849 3 R 4.2447 8.1804 119.7003 54.8787 31.4785 171.0059 4 V 4.2773 8.5708 118.0005 62.4375 35.2995 172.2270 5 T 4.5884 8.5674 123.8406 61.6060 70.4673 173.5922 6 I 4.5710 8.1858 118.6826 59.1447 40.4906 174.7055 7 T 4.5651 8.3228 117.3636 61.7785 70.3841 173.8605 8 L 4.8454 8.1528 125.5428 52.0743 45.2878 176.5558 9 D 4.4944 8.3753 120.0587 54.0681 43.2317 176.7468 10 D 4.3808 8.7113 125.6153 57.9357 40.8914 178.7304 11 D 4.3482 8.3038 118.3333 57.4770 40.8175 178.3001 12 L 3.8839 7.9741 119.9157 58.4549 41.9696 178.5234 13 L 3.9389 8.0830 119.8825 58.3836 41.9602 178.8699 14 E 3.9009 8.2644 118.0275 59.8094 29.4183 179.1095 15 T 3.9036 8.2090 116.1942 66.8654 68.5910 176.1064 16 L 3.9262 8.3131 122.0150 58.3130 42.1802 178.3630 17 D 4.3979 8.5615 119.3454 57.4435 40.7853 178.7658 18 S 4.1226 8.1231 114.4077 61.9032 61.8253 176.5156 19 L 4.0004 7.7935 123.7756 57.4454 41.7091 178.9766 20 S 4.6980 8.1924 115.2594 61.1765 62.8541 176.2842 21 Q 4.1776 8.4627 123.0363 59.1214 28.6879 177.9304 22 R 4.1342 8.2917 117.4780 57.8563 30.1938 177.9013 23 R 4.3261 7.2921 117.1099 55.5759 30.6143 176.8884 24 G 3.8679 7.7281 107.4292 45.3254 0.0000 172.9431 25 Y 4.7318 7.5563 117.8768 57.2089 38.5325 175.2971 26 N 4.7937 8.9197 121.5001 53.1895 39.1411 175.3108 27 N 4.9970 7.7812 116.9177 50.0398 40.8201 174.3812 28 R 3.7766 8.6522 124.6655 60.0147 30.2782 178.5020 29 S 4.0479 8.1662 114.1171 61.9038 62.6043 176.4324 30 E 3.7470 8.0881 121.0120 59.3212 29.5675 178.0498 31 A 2.5800 7.1532 119.5013 55.2742 18.3271 179.4397 32 I 3.5839 8.1614 117.3100 64.3642 37.3276 178.6109 33 R 3.8350 7.5737 118.8724 59.7091 29.8519 178.2634 34 D 4.3797 8.2712 118.8232 57.3210 40.8983 179.0014 35 I 3.7414 7.5232 119.8435 64.3471 37.2287 177.9928 36 L 3.9325 8.0639 120.1436 58.0676 41.2967 179.3673 37 R 3.8593 7.7836 116.8823 59.7296 30.3147 177.7420 38 S 3.9396 8.6655 111.2591 60.3923 61.7599 175.4539 39 A 3.9077 6.6055 125.0413 55.7055 18.9442 179.5560 40 L 4.0608 8.2872 116.6499 57.8116 41.6735 179.4113 41 A 4.4180 8.5415 122.9993 54.9103 18.7382 178.9363 42 Q 4.0831 7.7630 121.3837 54.9500 27.3579 176.7742 43 E 4.7863 8.2619 123.3297 53.8541 33.2720 174.0285 44 A 4.7264 8.1834 122.2679 50.7298 22.0594 175.7658 45 T 4.5529 8.2359 117.7313 61.8257 71.9094 174.3606 46 Q 4.3505 8.7090 127.8313 56.1572 30.1912 175.7154 47 Q 4.6011 8.0412 115.6596 53.3738 31.9890 173.4617 48 H 4.5235 8.6809 118.2181 56.1607 29.2425 175.0773 49 G 4.3373 8.9039 116.0185 46.1196 0.0000 174.5709 50 T 3.9704 6.6445 114.0391 63.5750 69.2709 172.9161 51 Q 4.5743 7.8278 121.6646 55.3299 32.4923 173.7360 52 G 3.1852 6.8996 106.4238 44.8669 0.0000 172.5782 53 F 5.7044 7.7579 119.3392 56.4957 41.7850 174.9503 54 A 5.1021 9.0323 121.2651 50.7958 23.0856 175.5764 55 V 5.0173 8.7752 118.8117 60.9330 32.4948 172.4180 56 L 4.8569 8.7777 126.9132 54.3207 43.1259 175.3739 57 S 5.0338 9.2332 121.0184 57.1688 66.6990 172.8205 58 Y 5.0180 7.6549 120.8620 55.9983 41.9905 173.4445 59 V 5.7211 8.5833 117.6465 60.8660 35.8043 174.1246 60 Y 5.3476 7.9693 118.8214 56.7894 40.9720 172.7366 61 E 4.7953 8.7561 122.4487 56.0317 29.8842 177.7270 62 H 4.3742 8.5249 120.4688 57.8639 29.1835 177.0799 63 E 4.2036 7.6899 118.5270 57.7987 30.1478 176.8354 64 K 4.0725 7.6393 119.3978 57.4288 32.7267 176.4639 65 R 3.8442 9.5628 121.7933 56.8209 28.0670 175.8637 66 D 4.4774 8.1479 113.3566 55.3185 38.7958 175.5571 67 L 3.9125 8.5939 120.1918 58.4256 41.0770 179.3531 68 A 4.3173 7.9347 119.2921 55.5367 18.4687 179.6592 69 S 4.0232 8.1217 111.5355 60.9461 63.5601 176.3243 70 R 3.9176 8.2895 122.2303 58.9933 29.7912 178.9286 71 I 3.4421 7.9920 119.5827 64.3813 37.1003 178.1909 72 V 3.6289 7.3733 118.5676 66.1299 31.1539 177.5967 73 S 4.0892 7.8260 111.5553 61.7510 62.4740 175.7895 74 T 3.9884 8.2201 112.4699 65.2444 68.4314 175.9504 75 Q 4.3910 8.2492 121.4309 58.9632 28.6223 178.4056 76 H 4.4462 8.3737 114.8113 57.6541 28.7792 176.4794 77 H 4.6342 8.6290 120.6489 57.9036 30.0566 175.1666 78 H 5.0518 7.9701 117.2141 55.5035 29.1402 175.4305 79 H 4.3919 8.5463 113.3729 57.3197 28.1465 175.0203 80 D 4.5731 7.8437 118.8737 54.9762 41.9757 176.9450 81 L 4.5642 8.5202 118.3678 53.9477 42.2804 175.6982 82 S 4.7210 7.6415 114.1161 56.8353 63.3199 173.1687 83 V 3.9466 8.3226 128.7882 64.3382 31.4954 175.4677 84 A 4.6117 7.3040 119.1815 51.4588 22.5361 174.3023 85 T 5.0550 8.4310 115.1820 61.6758 72.5508 173.2252 86 L 4.6085 8.9778 128.4328 53.7447 43.8539 174.6185 87 H 5.2822 8.7842 125.8207 54.7672 32.8035 174.1876 88 V 4.1872 8.0261 123.2083 62.0340 34.5830 173.6631 89 H 4.5915 8.6942 126.9172 55.4712 28.2954 175.4652 90 I 4.0240 7.8358 118.1953 62.2533 38.1274 175.2057 91 N 4.3377 7.7302 116.0008 52.2480 39.0507 173.4949 92 H 4.1786 9.1827 118.2768 59.5307 30.0677 175.3112 93 D 4.4596 8.4100 117.6549 56.0351 42.3238 176.6242 94 D 5.1144 8.9741 117.9043 53.2070 43.3232 175.7228 95 C 4.9426 8.3762 117.5809 57.8579 32.6853 173.1558 96 L 4.9918 8.5234 124.2324 53.7204 43.6232 175.1778 97 E 4.7107 8.3676 126.1651 55.0034 32.5899 176.0369 98 I 4.4881 8.1914 121.5672 60.2567 41.2489 173.8341 99 A 4.9189 9.6491 130.6629 50.1919 21.5653 175.6336 100 V 4.3579 8.4905 122.4201 61.4577 33.1039 174.8632 101 L 5.0555 8.4848 128.3478 53.4426 44.4217 175.8266 102 K 5.0317 9.3850 122.3338 54.8958 35.6509 176.5255 103 G 3.8751 8.5049 113.9455 43.8999 0.0000 171.5203 104 D 5.0188 8.3276 118.2880 54.2056 41.1565 176.9586 *106 G 3.6242 8.7349 103.8845 46.0417 0.0000 174.7962 107 D 4.2650 8.2825 120.7374 57.0687 40.7320 178.5665 108 V 3.3934 7.8154 117.8967 66.4620 31.0769 177.2280 109 Q 3.9444 8.0637 117.7570 60.2808 29.0775 177.7437 110 H 4.0729 8.3871 118.8395 58.5898 29.7575 176.5857 111 F 3.9718 8.9955 122.1266 61.7269 39.4602 177.5084 112 A 4.1855 9.0780 120.3961 55.8108 17.9559 179.3870 113 D 4.3300 8.6921 117.3726 57.2516 40.6743 178.3779 114 D 4.5001 7.6653 114.7084 55.0682 40.6046 176.5697 115 V 3.9243 7.8143 119.4043 64.4809 33.7409 177.8855 116 I 3.5497 7.6323 118.7050 64.0718 37.1138 177.4868 117 A 4.0413 7.9436 122.2477 54.7958 18.5526 177.8892 118 Q 3.7421 7.4418 113.6355 56.0550 29.1662 177.0109 119 R 3.8760 8.4362 123.3923 57.7115 30.6338 176.1581 120 G 4.0817 9.4120 113.0847 45.2716 0.0000 172.7837 121 V 4.9184 7.2197 118.5837 59.7219 31.9603 175.3941 122 R 4.2438 8.2907 125.7403 55.4603 31.2497 176.0117 123 H 4.3124 8.7648 112.3438 56.3927 26.5291 175.4043 124 G 4.0525 8.0100 104.7833 47.7198 0.0000 173.2716 125 H 4.8557 8.7883 119.8841 54.8954 33.9452 171.8506 126 L 5.0086 8.4286 127.7337 53.2471 44.2525 174.9244 127 Q 4.5964 8.3579 126.3102 54.5696 31.8424 173.6694 128 C 4.9370 8.7694 123.6001 58.4226 30.6191 174.2379 129 L 4.8609 8.8152 121.6849 52.4069 42.5655 173.7689 130 P 4.9444 0.0000 0.0000 63.0247 33.1328 178.0085 131 K 4.2138 8.5863 122.7436 55.3380 31.4032 174.0571 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 2 Q 8.34 4.29 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 3 R 8.18 4.24 0.00 1.85 1.84 0.00 3.28 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 4 V 8.57 4.28 2.07 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 0.70 0.00 0.00 0.92 0.00 0.00 5 T 8.57 4.59 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 I 8.19 4.57 1.86 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 1.41 0.66 0.90 0.00 0.00 7 T 8.32 4.57 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 8 L 8.15 4.85 0.00 1.58 1.53 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.38 4.49 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.71 4.38 0.00 2.80 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 11 D 8.30 4.35 0.00 2.85 2.74 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 12 L 7.97 3.88 0.00 1.71 1.81 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.08 3.94 0.00 1.88 1.85 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.26 3.90 0.00 2.20 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 2.34 2.59 0.00 15 T 8.21 3.90 4.42 0.00 0.00 0.00 0.00 0.00 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 16 L 8.31 3.93 0.00 1.74 1.84 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.56 4.40 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.12 4.12 0.00 4.07 4.16 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 0.00 0.00 0.00 0.00 19 L 7.79 4.00 0.00 1.81 1.96 0.94 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.19 4.70 0.00 4.21 4.13 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 21 Q 8.46 4.18 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 22 R 8.29 4.13 0.00 1.78 1.95 0.00 3.20 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 23 R 7.29 4.33 0.00 1.77 1.47 0.00 3.13 0.00 0.00 3.11 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 24 G 7.73 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.56 4.73 0.00 3.17 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 26 N 8.92 4.79 0.00 2.85 2.98 0.00 0.00 5.97 8.04 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 27 N 7.78 5.00 0.00 2.86 2.91 0.00 0.00 5.90 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.65 3.78 0.00 1.88 1.94 0.00 3.20 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 29 S 8.17 4.05 0.00 3.85 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.09 3.75 0.00 2.01 1.88 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 2.10 2.28 0.00 31 A 7.15 2.58 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.16 3.58 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.64 0.88 0.00 0.00 33 R 7.57 3.83 0.00 2.20 1.89 0.00 3.06 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 34 D 8.27 4.38 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.52 3.74 1.88 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 1.58 1.40 0.94 0.00 0.00 36 L 8.06 3.93 0.00 1.81 1.73 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.78 3.86 0.00 1.92 2.17 0.00 3.28 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 38 S 8.67 3.94 0.00 4.01 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 6.61 3.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.29 4.06 0.00 1.80 1.75 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.54 4.42 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.76 4.08 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 43 E 8.26 4.79 0.00 1.86 1.81 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 2.19 2.30 0.00 44 A 8.18 4.73 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.24 4.55 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 1.22 0.00 0.00 46 Q 8.71 4.35 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 47 Q 8.04 4.60 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.91 0.00 0.00 0.00 0.00 0.00 2.25 1.93 0.00 48 H 8.68 4.52 0.00 3.11 3.29 0.00 5.64 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 49 G 8.90 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 6.64 3.97 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 51 Q 7.83 4.57 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 52 G 6.90 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.76 5.70 0.00 2.98 2.81 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 54 A 9.03 5.10 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.78 5.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.93 0.00 0.00 56 L 8.78 4.86 0.00 2.00 1.74 1.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.23 5.03 0.00 3.85 3.91 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 0.00 0.00 0.00 58 Y 7.65 5.02 0.00 3.20 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 59 V 8.58 5.72 2.24 0.00 0.00 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 1.00 0.00 0.00 60 Y 7.97 5.35 0.00 3.27 3.06 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 0.00 0.00 0.00 61 E 8.76 4.80 0.00 1.92 1.82 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 2.54 2.14 0.00 62 H 8.52 4.37 0.00 3.32 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.69 4.20 0.00 1.86 2.01 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 2.30 2.28 0.00 64 K 7.64 4.07 0.00 2.00 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 65 R 9.56 3.84 0.00 1.94 1.94 0.00 3.58 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 66 D 8.15 4.48 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.59 3.91 0.00 2.09 2.08 1.16 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.93 4.32 1.52 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 69 S 8.12 4.02 0.00 4.07 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 70 R 8.29 3.92 0.00 2.03 1.94 0.00 3.12 0.00 0.00 3.14 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 71 I 7.99 3.44 1.91 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.49 0.86 0.00 0.00 72 V 7.37 3.63 2.26 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 1.16 0.00 0.00 1.13 0.00 0.00 73 S 7.83 4.09 0.00 4.08 3.97 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 0.00 0.00 0.00 74 T 8.22 3.99 4.07 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 1.11 0.00 0.00 75 Q 8.25 4.39 0.00 2.39 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.57 2.73 0.00 76 H 8.37 4.45 0.00 3.39 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.63 4.63 0.00 2.97 3.38 0.00 5.73 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.97 5.05 0.00 3.64 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.55 4.39 0.00 3.21 3.48 0.00 5.51 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.84 4.57 0.00 2.63 2.70 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 0.00 0.00 0.00 0.00 81 L 8.52 4.56 0.00 1.28 1.46 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.64 4.72 0.00 3.81 3.76 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 0.00 0.00 0.00 0.00 83 V 8.32 3.95 2.01 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 0.66 0.00 0.00 0.82 0.00 0.00 84 A 7.30 4.61 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.43 5.05 4.30 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 1.33 0.00 0.00 86 L 8.98 4.61 0.00 1.70 1.48 0.91 0.65 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 87 H 8.78 5.28 0.00 3.21 3.08 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.03 4.19 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 0.84 0.00 0.00 0.90 0.00 0.00 89 H 8.69 4.59 0.00 3.21 3.24 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.84 4.02 1.88 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 0.56 0.95 0.00 0.00 91 N 7.73 4.34 0.00 2.78 2.81 0.00 0.00 5.95 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 H 9.18 4.18 0.00 3.09 3.43 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.41 4.46 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.97 5.11 0.00 2.52 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.38 4.94 0.00 2.30 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.52 4.99 0.00 1.73 1.64 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.37 4.71 0.00 1.16 1.43 0.00 0.00 0.00 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 2.30 0.00 98 I 8.19 4.49 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 0.88 0.00 0.00 99 A 9.65 4.92 1.40 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 0.00 0.00 100 V 8.49 4.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.85 0.00 0.00 101 L 8.48 5.06 0.00 1.58 1.32 0.69 0.18 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 0.00 102 K 9.39 5.03 0.00 2.19 1.72 0.00 2.13 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.57 7.81 103 G 8.50 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 0.00 0.00 0.00 104 D 8.33 5.02 0.00 2.66 2.91 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 0.00 0.00 0.00 *106 G 8.73 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.28 4.26 0.00 2.64 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.82 3.39 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 1.00 0.00 0.00 0.90 0.00 0.00 109 Q 8.06 3.94 0.00 2.05 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 110 H 8.39 4.07 0.00 3.26 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 9.00 3.97 0.00 2.98 3.15 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 0.00 112 A 9.08 4.19 1.48 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 0.00 0.00 113 D 8.69 4.33 0.00 2.79 2.64 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 0.00 0.00 0.00 0.00 114 D 7.67 4.50 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.81 3.92 1.88 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 0.02 0.00 0.00 0.40 0.00 0.00 116 I 7.63 3.55 1.81 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 1.16 0.87 0.90 0.00 0.00 117 A 7.94 4.04 1.26 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 0.00 118 Q 7.44 3.74 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 119 R 8.44 3.88 0.00 1.76 1.84 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 120 G 9.41 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.22 4.92 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.85 0.00 0.00 122 R 8.29 4.24 0.00 1.80 1.54 0.00 3.33 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 123 H 8.76 4.31 0.00 3.32 3.36 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 0.00 124 G 8.01 4.05 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 0.00 0.00 0.00 125 H 8.79 4.86 0.00 3.34 3.19 0.00 5.74 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 0.00 126 L 8.43 5.01 0.00 1.66 1.48 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.36 4.60 0.00 2.30 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 128 C 8.77 4.94 0.00 2.89 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 0.00 129 L 8.82 4.86 0.00 1.60 1.57 0.98 1.08 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 0.00 130 P 0.00 4.94 0.00 2.04 2.06 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 131 K 8.59 4.21 0.00 1.53 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.