NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 5.3691 8.2916 121.8040 56.2434 30.5007 173.7842 3 F 5.1767 9.3713 127.6964 56.3589 42.4185 170.9863 4 E 5.1467 8.3810 122.6254 55.2401 34.4882 171.9205 5 H 4.6978 8.7541 120.0771 55.0058 33.9869 171.8027 6 L 5.1398 8.5000 127.6739 53.3701 43.9249 175.1444 7 V 4.4415 8.8878 126.9740 61.1049 33.7227 174.3382 8 Q 3.8877 8.7543 129.6478 56.2125 29.1135 175.5750 9 V 3.8363 8.4345 127.7737 65.3641 31.9726 175.8767 10 N 4.9716 7.9528 117.5714 52.2287 41.0205 173.8241 11 D 4.6931 8.0787 117.9562 51.9407 44.0361 175.4444 12 R 4.6613 8.3251 113.2647 56.8530 31.4951 174.6030 13 T 4.3863 8.4937 118.2930 61.5912 74.5344 176.1186 *17 L 4.1083 8.9399 113.5790 53.4011 43.2823 174.6267 18 P 4.3579 0.0000 0.0000 62.5217 31.9368 176.5629 19 V 4.1532 8.0929 122.0591 61.9183 32.7546 174.9766 20 L 5.0450 8.2557 123.2112 52.4653 45.2637 176.7683 21 D 4.8382 9.0815 122.6612 51.7435 42.7658 177.7504 22 R 3.8978 8.2988 118.4747 59.6326 29.9560 178.0032 23 L 4.0969 8.1037 119.6012 58.0582 42.0988 178.6705 24 Q 3.9305 9.1299 118.5720 58.8172 28.6775 178.5408 25 L 3.8676 8.0485 121.3622 57.6226 42.1263 178.4721 26 W 4.4769 8.5307 131.0815 61.5223 30.6421 178.2854 27 E 3.5894 8.6509 118.3788 60.7660 28.9147 181.0721 28 G 3.4097 7.3097 106.3600 47.8319 0.0000 175.8298 29 L 3.7710 7.4144 121.6143 56.9995 41.4252 179.8037 30 V 3.0950 6.6735 118.2758 65.7818 31.3962 177.3926 31 C 4.0324 8.1328 118.8304 62.8166 31.1743 175.6900 32 R 2.8783 7.5432 118.4507 58.7486 29.4669 178.1016 33 A 4.1534 7.3593 119.5602 54.8438 18.5874 179.1553 34 R 4.3813 8.0242 114.4233 56.5571 32.2573 176.7703 35 E 4.7805 8.6903 117.6939 52.9261 30.0335 174.7500 36 P 4.4102 0.0000 0.0000 64.6173 32.5636 179.2827 37 Q 3.9703 7.4646 117.2795 58.7197 28.5525 177.3336 38 Y 4.6011 7.7032 115.1506 59.0235 38.2519 175.8501 39 F 4.5775 8.3760 116.3702 56.6279 41.2020 175.2074 40 V 4.1721 7.5459 120.3197 60.3329 31.4805 174.3420 41 V 3.6377 8.2338 127.3763 64.5643 31.6285 174.8154 42 G 4.1539 9.4705 116.1181 45.8329 0.0000 173.8210 43 L 4.1043 7.1578 120.2215 56.1124 42.1549 176.2722 44 E 4.6776 9.6157 124.7764 57.8882 31.8654 175.7451 45 R 4.7742 7.8635 113.6964 55.7205 32.6480 173.6292 46 F 5.7467 8.6388 115.8426 56.4641 41.2166 173.9781 47 E 4.5431 9.4930 117.2117 54.8373 34.0018 176.1906 48 I 4.4934 8.3182 124.5341 59.8897 36.7989 175.6144 49 L 4.2313 8.5872 128.8153 56.9040 42.4690 178.3396 50 V 4.3791 7.7161 118.0818 61.0699 34.9390 174.0067 51 D 4.9692 8.9194 126.8032 53.0167 41.9854 174.0401 52 D 4.6856 9.2019 125.7642 53.8556 40.4176 177.6219 53 G 4.1791 8.4827 116.3064 44.9023 0.0000 173.9489 54 D 4.7616 7.7866 116.3441 52.8554 41.5434 175.5456 55 R 4.9326 7.6888 120.7823 55.4110 33.4008 173.3212 56 L 5.3101 9.2292 126.6899 53.1693 45.9063 174.9002 57 H 5.5142 9.1222 123.0203 54.5627 31.9209 173.5807 58 R 5.2197 9.6951 121.8955 54.3839 33.6101 173.9747 59 R 5.0204 8.9402 119.7425 54.5884 33.0637 173.8595 60 L 5.0663 9.3442 126.7723 53.2677 44.7707 175.2018 61 Y 4.6702 9.3527 122.0445 56.7425 39.3337 175.1091 62 L 5.0630 8.7115 125.2685 51.8189 44.9456 174.6788 63 P 4.7179 0.0000 0.0000 63.6699 31.6500 176.1523 64 G 4.0520 8.8654 109.1275 45.6489 0.0000 172.6609 65 L 4.2758 8.0159 119.9282 53.6934 45.2659 173.6898 66 V 4.5710 8.3473 126.3098 61.1436 33.2885 174.7359 67 V 4.4858 8.5903 127.4592 61.0648 34.3644 173.8161 68 E 5.3612 8.7785 126.4652 54.8084 32.3071 174.6355 69 D 4.9179 9.1968 124.3360 53.2853 43.7642 174.0725 70 E 5.2871 9.0648 116.1440 54.7714 33.5970 173.6467 71 V 4.4629 8.8919 121.1887 61.0490 34.9902 174.1623 72 V 4.7262 8.6970 128.2831 61.1826 33.6020 174.0151 73 L 5.0961 8.9783 128.4247 53.2266 43.6248 176.6674 74 K 4.4490 9.3079 124.0956 54.0036 33.3116 175.0176 75 A 2.5800 8.2253 127.5588 50.8542 19.5427 176.5500 76 P 2.9700 0.0000 0.0000 61.3818 31.0375 174.3007 77 D 4.5720 7.7007 120.0992 56.1191 44.1894 176.5681 78 S 5.0326 7.2055 110.1517 57.3376 66.1930 173.4653 79 A 5.1817 8.6021 122.1450 50.4306 22.0195 174.2583 80 H 5.0708 9.1664 123.0058 54.6464 32.5259 172.0471 81 Y 5.0731 9.3296 124.5237 56.3824 40.2688 175.1172 82 S 5.1495 9.2044 117.5908 56.9775 67.3799 172.8083 83 I 4.9410 8.6862 122.4621 59.2450 40.1140 174.9975 84 K 4.5750 8.7452 126.9824 56.0415 33.4263 175.1053 85 P 4.8604 0.0000 0.0000 62.5686 32.9321 175.0464 86 S 4.7054 8.5134 114.3223 56.4788 66.1721 173.2746 87 A 4.1401 8.8847 122.0007 55.0790 17.8933 178.1317 88 E 4.5917 8.1369 112.5342 55.7389 31.8293 175.7847 89 V 4.4656 8.0165 112.1051 59.4678 34.1207 174.6034 90 A 4.5618 8.4908 124.7873 51.7955 19.9962 177.7263 91 G 3.9291 8.7825 108.8629 46.2361 0.0000 172.0420 92 G 4.6351 7.4913 104.6550 47.1502 0.0000 171.7684 93 S 5.2454 8.1270 112.6701 57.0839 66.9938 173.0855 94 L 4.9292 9.1246 123.1502 53.7472 45.1680 175.3632 95 D 5.4143 8.3841 126.5011 52.0532 44.8006 174.6611 *97 T 4.4978 8.1877 113.9857 64.0819 70.0507 173.6733 98 I 4.5832 8.8475 127.7790 61.0173 38.1767 175.3013 99 E 4.7052 9.6399 125.9102 54.7924 32.9767 175.0882 100 E 5.5085 8.8586 123.6031 53.1455 30.3290 173.3106 101 P 4.1373 0.0000 0.0000 65.1823 31.8763 177.0185 102 E 4.7440 7.6241 115.5667 54.4002 33.7973 172.9344 103 P 5.0026 0.0000 0.0000 63.5826 31.8020 177.2754 104 G 3.9402 8.8848 111.0350 45.6069 0.0000 173.1885 105 S 4.4596 8.0204 115.2298 57.4301 62.8926 172.8324 106 L 5.3947 8.0968 126.8893 53.0337 45.2249 175.7706 107 F 5.2277 9.4247 119.9106 55.9226 44.2043 173.6995 108 V 4.6834 8.8326 121.0120 61.0953 34.0552 174.4130 109 R 4.6353 8.5689 129.4212 55.9704 30.9920 175.3142 110 F 4.8233 9.6188 125.5183 55.6688 41.4574 174.3851 111 A 5.1436 8.9473 126.1268 50.2854 21.6553 174.3489 112 Y 5.2367 9.3600 120.5457 56.5888 41.4837 174.8442 113 C 5.3816 9.2371 118.6956 58.5698 33.2555 173.0796 114 T 5.2441 8.5689 116.9144 61.7654 71.3775 173.5785 115 R 4.5371 8.3248 121.0613 54.5416 32.9598 174.0780 116 Y 4.9420 8.3313 119.8459 56.8185 40.8015 176.8011 117 L 4.0924 9.0795 122.7386 57.8296 41.2806 177.8388 *118 Q 4.7969 7.8475 117.1621 52.6173 30.8092 176.4279 119 P 4.8239 0.0000 0.0000 63.2389 31.0938 176.6323 *122 D 4.3213 8.6956 119.3169 53.4913 40.8849 173.1593 123 E 4.5286 8.5992 120.5809 53.5856 31.1419 171.8622 124 L 4.6991 8.1996 122.4897 52.4369 44.0144 174.4253 125 P 4.5756 0.0000 0.0000 61.8565 32.5603 175.6528 126 Y 4.2952 8.1520 118.2165 58.0802 38.5649 176.5190 127 D 4.6529 8.5203 123.5256 52.8135 42.1327 177.1703 128 A 3.8669 8.0481 120.2385 54.6524 18.4853 179.4835 129 F 3.9576 7.3262 116.1990 60.8182 38.9419 177.8743 130 V 3.1787 8.5515 118.0208 65.6676 31.2376 178.2862 131 K 2.9905 7.4423 118.2130 59.1203 31.6958 179.1284 132 Q 3.8110 8.4627 120.1881 59.0728 28.7272 178.1774 133 A 3.9184 7.3552 120.6428 54.8867 18.3830 179.0909 134 Y 4.3740 7.2459 114.8226 61.2451 38.2852 177.6195 135 I 3.8375 7.9343 120.7721 64.5534 37.1957 178.8715 136 A 3.7027 7.8829 118.7673 53.2121 18.5816 178.7896 *138 D 3.8365 8.0362 121.8094 55.6236 42.9469 178.3335 139 V 3.6017 7.7439 118.0984 66.1745 31.4053 177.9460 140 E 3.9981 8.3921 118.3272 59.6078 29.2243 179.6089 141 T 4.1679 7.8148 115.4116 66.9162 68.6275 176.7025 142 I 3.9280 8.0678 121.5370 64.1033 37.0681 178.4460 143 A 3.9907 8.1981 121.8737 55.4614 18.2502 179.6794 144 T 3.6923 8.1115 114.4454 66.7887 68.4709 176.6928 145 I 4.0704 7.9486 121.5092 64.7723 37.3819 178.2665 146 R 4.0351 8.2960 119.4534 59.8369 29.5528 178.2077 147 D 4.3460 7.9465 117.6613 57.2044 40.9858 178.6018 148 R 3.7832 8.1716 117.8808 57.6870 30.1449 177.2022 149 F 4.8469 8.3918 114.3550 56.7483 40.8351 176.2670 150 G 3.6880 8.1153 109.2316 47.6741 0.0000 173.8497 151 A 4.1156 7.8201 126.6213 52.3686 18.4648 176.9890 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 8.29 5.37 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.63 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 3 F 9.37 5.18 0.00 3.53 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 4 E 8.38 5.15 0.00 1.73 1.64 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 2.11 1.83 0.00 5 H 8.75 4.70 0.00 2.88 3.12 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.50 5.14 0.00 1.63 1.54 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.89 4.44 2.34 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 1.03 0.00 0.00 1.01 0.00 0.00 8 Q 8.75 3.89 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.82 0.00 0.00 0.00 0.00 0.00 2.15 1.56 0.00 9 V 8.43 3.84 2.08 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 0.79 0.00 0.00 0.94 0.00 0.00 10 N 7.95 4.97 0.00 2.64 2.65 0.00 0.00 6.51 8.06 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 11 D 8.08 4.69 0.00 2.63 2.40 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 12 R 8.33 4.66 0.00 1.88 1.99 0.00 3.08 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 13 T 8.49 4.39 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 *17 L 8.94 4.11 0.00 1.68 1.68 0.92 0.98 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 18 P 0.00 4.36 0.00 2.05 1.99 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 19 V 8.09 4.15 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 20 L 8.26 5.05 0.00 1.78 1.53 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 21 D 9.08 4.84 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.30 3.90 0.00 2.10 1.98 0.00 3.30 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 23 L 8.10 4.10 0.00 1.79 1.68 0.96 0.87 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 24 Q 9.13 3.93 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 25 L 8.05 3.87 0.00 1.79 1.83 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.53 4.48 0.00 3.41 3.27 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 0.00 27 E 8.65 3.59 0.00 1.97 1.96 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 2.25 2.21 0.00 28 G 7.31 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.41 3.77 0.00 1.36 1.29 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 V 6.67 3.09 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 -0.01 0.00 0.00 31 C 8.13 4.03 0.00 3.30 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 2.88 0.00 0.67 1.64 0.00 3.03 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.90 0.00 33 A 7.36 4.15 1.19 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 34 R 8.02 4.38 0.00 1.80 2.06 0.00 3.10 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 35 E 8.69 4.78 0.00 2.29 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 36 P 0.00 4.41 0.00 1.99 2.09 0.00 2.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.21 0.00 37 Q 7.46 3.97 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.93 0.00 0.00 0.00 0.00 0.00 1.57 2.06 0.00 38 Y 7.70 4.60 0.00 3.05 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 39 F 8.38 4.58 0.00 2.97 3.12 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 40 V 7.55 4.17 2.10 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 1.02 0.00 0.00 0.99 0.00 0.00 41 V 8.23 3.64 2.10 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 0.84 0.00 0.00 0.95 0.00 0.00 42 G 9.47 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 0.00 0.00 0.00 43 L 7.16 4.10 0.00 1.61 1.67 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.62 4.68 0.00 1.99 1.98 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 2.27 2.44 0.00 45 R 7.86 4.77 0.00 1.76 1.92 0.00 2.58 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.15 0.00 46 F 8.64 5.75 0.00 3.21 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 47 E 9.49 4.54 0.00 1.61 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 2.12 2.12 0.00 48 I 8.32 4.49 1.92 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.96 0.00 0.00 49 L 8.59 4.23 0.00 1.59 1.70 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.72 4.38 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 1.07 0.00 0.00 0.98 0.00 0.00 51 D 8.92 4.97 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 9.20 4.69 0.00 2.83 2.66 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 0.00 0.00 0.00 0.00 53 G 8.48 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 0.00 0.00 0.00 0.00 54 D 7.79 4.76 0.00 2.97 2.94 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 55 R 7.69 4.93 0.00 1.85 1.77 0.00 3.11 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 56 L 9.23 5.31 0.00 1.55 1.62 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 H 9.12 5.51 0.00 3.22 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 9.70 5.22 0.00 2.06 2.05 0.00 2.81 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.56 0.00 59 R 8.94 5.02 0.00 1.83 1.82 0.00 3.11 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.36 0.00 60 L 9.34 5.07 0.00 1.58 1.58 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 9.35 4.67 0.00 3.17 2.97 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 62 L 8.71 5.06 0.00 1.73 1.60 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.72 0.00 2.19 2.09 0.00 3.55 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 64 G 8.87 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 65 L 8.02 4.28 0.00 1.72 1.50 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.35 4.57 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 0.49 0.00 0.00 0.86 0.00 0.00 67 V 8.59 4.49 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 0.95 0.00 0.00 0.93 0.00 0.00 68 E 8.78 5.36 0.00 1.88 1.87 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 2.13 2.21 0.00 69 D 9.20 4.92 0.00 3.02 2.80 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 0.00 0.00 0.00 70 E 9.06 5.29 0.00 1.65 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 2.13 2.08 0.00 71 V 8.89 4.46 1.87 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 0.25 0.00 0.00 0.63 0.00 0.00 72 V 8.70 4.73 2.08 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 0.99 0.00 0.00 0.92 0.00 0.00 73 L 8.98 5.10 0.00 1.62 1.92 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 74 K 9.31 4.45 0.00 1.53 1.60 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.33 7.81 75 A 8.23 2.58 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 76 P 0.00 2.97 0.00 1.76 1.48 0.00 3.39 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 77 D 7.70 4.57 0.00 2.51 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 78 S 7.21 5.03 0.00 3.85 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 79 A 8.60 5.18 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 80 H 9.17 5.07 0.00 3.19 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 9.33 5.07 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 9.20 5.15 0.00 3.82 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 83 I 8.69 4.94 1.90 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 1.52 0.91 0.94 0.00 0.00 84 K 8.75 4.57 0.00 1.77 1.81 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.39 7.81 85 P 0.00 4.86 0.00 2.13 2.30 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 86 S 8.51 4.71 0.00 3.96 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 87 A 8.88 4.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.14 4.59 0.00 2.18 1.96 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 2.18 1.85 0.00 89 V 8.02 4.47 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 0.69 0.00 0.00 0.96 0.00 0.00 90 A 8.49 4.56 1.22 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 0.00 0.00 0.00 91 G 8.78 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 0.00 0.00 0.00 92 G 7.49 4.64 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 0.00 0.00 0.00 93 S 8.13 5.25 0.00 3.93 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 94 L 9.12 4.93 0.00 1.44 1.39 -0.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.38 5.41 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *97 T 8.19 4.50 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 1.16 0.00 0.00 98 I 8.85 4.58 1.88 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.67 0.94 0.00 0.00 99 E 9.64 4.71 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 100 E 8.86 5.51 0.00 2.03 1.79 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 2.31 2.44 0.00 101 P 0.00 4.14 0.00 2.27 2.18 0.00 4.31 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.14 0.00 102 E 7.62 4.74 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 103 P 0.00 5.00 0.00 2.04 2.00 0.00 3.80 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 104 G 8.88 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 0.00 0.00 0.00 105 S 8.02 4.46 0.00 3.96 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 0.00 106 L 8.10 5.39 0.00 1.51 1.47 0.97 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 0.00 107 F 9.42 5.23 0.00 2.93 2.90 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 0.00 0.00 0.00 0.00 108 V 8.83 4.68 2.15 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 0.35 0.00 0.00 0.93 0.00 0.00 109 R 8.57 4.64 0.00 1.84 1.73 0.00 3.23 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 110 F 9.62 4.82 0.00 3.15 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 0.00 111 A 8.95 5.14 1.16 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 0.00 0.00 112 Y 9.36 5.24 0.00 3.03 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 0.00 113 C 9.24 5.38 0.00 2.92 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 0.00 114 T 8.57 5.24 4.11 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 0.00 0.00 0.00 0.85 0.00 0.00 115 R 8.32 4.54 0.00 1.82 1.93 0.00 2.72 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 116 Y 8.33 4.94 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 9.08 4.09 0.00 1.66 1.58 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 *118 Q 7.85 4.80 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.20 1.89 0.00 119 P 0.00 4.82 0.00 2.17 1.94 0.00 3.51 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 *122 D 8.70 4.32 0.00 2.75 2.57 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 0.00 0.00 0.00 0.00 123 E 8.60 4.53 0.00 1.98 1.75 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 0.00 2.18 1.85 0.00 124 L 8.20 4.70 0.00 1.54 1.54 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.58 0.00 2.24 2.05 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 126 Y 8.15 4.30 0.00 2.97 2.71 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 0.00 0.00 0.00 0.00 127 D 8.52 4.65 0.00 2.92 2.86 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 0.00 0.00 0.00 0.00 128 A 8.05 3.87 1.05 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 0.00 129 F 7.33 3.96 0.00 3.26 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 0.00 130 V 8.55 3.18 1.96 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 -0.08 0.00 0.00 0.85 0.00 0.00 131 K 7.44 2.99 0.00 1.49 1.22 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.30 1.16 7.81 132 Q 8.46 3.81 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 133 A 7.36 3.92 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 0.00 0.00 134 Y 7.25 4.37 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.93 3.84 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.56 0.88 0.00 0.00 136 A 7.88 3.70 1.34 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 *138 D 8.04 3.84 0.00 2.29 1.54 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 0.00 139 V 7.74 3.60 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 1.06 0.00 0.00 1.04 0.00 0.00 140 E 8.39 4.00 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 141 T 7.81 4.17 4.63 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 142 I 8.07 3.93 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.08 0.99 0.00 0.00 143 A 8.20 3.99 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 0.00 144 T 8.11 3.69 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 0.61 0.00 0.00 145 I 7.95 4.07 2.18 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.13 1.05 0.00 0.00 146 R 8.30 4.04 0.00 2.06 2.17 0.00 3.10 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 147 D 7.95 4.35 0.00 2.69 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 0.00 148 R 8.17 3.78 0.00 1.04 0.89 0.00 2.47 0.00 0.00 2.94 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.44 0.00 149 F 8.39 4.85 0.00 2.96 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 0.00 150 G 8.12 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.82 4.12 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.