NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2146 8.4449 121.4697 55.9447 31.5593 175.8586 5 T 4.2827 7.4935 118.9659 60.9756 69.1708 167.2505 6 V 4.6733 7.9619 126.0926 61.9079 33.1922 174.4484 7 I 4.8299 9.0226 120.5697 59.5818 41.6262 173.8289 8 T 5.1258 8.4678 119.0004 61.8968 70.7430 174.0725 9 V 4.5303 9.1386 125.3918 61.0201 35.3232 174.1560 10 V 4.7870 8.3642 125.8864 61.0011 34.1989 175.3520 11 G 3.9335 7.8382 113.6918 46.0497 0.0000 170.7550 12 N 5.5198 7.7152 116.1570 51.0892 41.8201 174.6718 13 L 4.5895 8.4817 122.9919 55.0489 42.0886 178.5540 14 V 4.0140 9.2730 125.1687 65.5644 32.0832 175.5167 15 D 4.8019 7.8606 117.0219 51.3829 42.1923 174.4411 16 D 4.4711 8.4885 119.7948 53.9305 41.3714 174.9933 17 P 4.6852 0.0000 0.0000 62.7835 32.4739 175.3532 18 E 4.4949 9.4514 125.1090 54.5400 31.3127 174.1963 19 L 4.7164 8.4150 129.6454 54.1553 43.5721 175.5009 20 R 4.8120 8.4015 123.8030 54.7755 35.2469 173.5902 21 F 5.3945 8.5586 117.0324 56.1843 43.0183 175.3820 22 T 4.4524 8.6999 111.8990 59.8663 70.1350 173.9122 23 P 4.0796 0.0000 0.0000 65.8373 31.2668 177.7951 24 S 4.3025 8.0876 109.8646 58.9306 63.4880 174.8783 25 G 3.9442 8.9346 110.2377 45.2106 0.0000 173.3446 26 A 4.2414 7.8918 123.6525 51.5847 19.0637 177.4723 27 A 4.2316 8.6177 125.2468 51.8415 20.2274 176.8554 28 V 4.2347 7.9539 119.8745 60.1150 34.8921 173.3439 29 A 5.0959 8.9633 127.6956 49.8320 21.7417 175.0815 30 K 5.0434 8.8186 121.7809 54.5152 35.2887 175.4310 31 F 5.2033 8.4543 118.2470 55.5821 42.1974 172.8108 32 R 5.0812 8.8407 120.2267 54.7274 32.3811 174.6286 33 V 4.8796 9.0110 126.5764 61.3530 34.0692 174.0420 34 A 4.6117 9.1862 129.7811 50.1890 21.2271 175.2508 35 S 4.8599 8.9347 119.0650 56.8980 64.4582 172.9140 36 T 4.6966 8.2534 118.3019 59.5300 69.5154 172.9634 37 P 4.2112 0.0000 0.0000 64.9485 31.9231 176.0950 *49 D 4.6810 7.8636 116.4599 54.3515 41.9392 176.0252 50 G 4.1704 8.1748 110.5158 44.6877 0.0000 173.0166 51 E 4.3174 8.7441 118.6528 56.9108 30.1559 177.1227 52 S 4.6523 8.5095 118.3101 57.3248 64.8059 173.4554 53 L 4.3070 8.7136 126.8614 54.4512 43.1217 175.1283 54 F 5.3302 8.8772 125.1061 55.8099 41.0341 175.1087 55 L 4.9006 8.8321 123.0677 53.1639 45.7404 175.7972 56 T 4.5820 8.1690 118.8134 63.3693 69.7266 173.5007 57 C 5.1934 9.1961 125.6666 57.7807 31.2696 173.1154 58 S 5.0791 8.6586 116.7770 56.4327 65.9318 173.1525 59 V 4.9464 8.7575 123.3026 59.7113 34.1857 174.6199 60 W 4.9389 8.9199 121.8084 55.9538 31.9368 177.7280 61 R 4.0068 9.0174 119.1452 57.0847 27.7907 178.5144 62 Q 3.9848 8.9485 119.7391 60.5108 29.0313 178.6151 63 A 3.9977 8.1492 120.9031 55.1819 18.3933 179.1018 64 A 3.9878 7.8957 118.8210 55.4321 18.3877 179.8089 65 E 3.9095 7.9417 116.3587 59.5654 29.8094 178.7993 66 N 4.3206 8.4682 116.9075 56.3245 38.4832 177.5808 67 V 3.4584 8.4148 119.5135 66.0737 31.4847 177.9555 68 A 3.9369 7.6793 118.9585 55.0488 18.2218 178.7050 69 E 4.1029 8.1773 116.6396 58.2362 29.8470 177.9021 70 S 4.4920 7.8109 113.8258 58.2714 64.4344 174.3159 71 L 4.6631 7.4714 120.4880 53.0031 43.5750 175.5034 72 Q 4.6268 7.9584 118.2185 53.8883 31.8237 174.2050 73 R 4.2219 8.7266 115.9223 58.1986 29.6079 176.0021 74 G 4.0953 9.0729 108.8303 45.7590 0.0000 174.1721 75 M 4.2407 7.8278 119.0023 55.2643 33.4478 175.6742 76 R 4.9926 8.4491 122.4952 55.6680 32.0227 175.4689 77 V 4.9866 9.2744 118.6332 59.5731 36.6639 174.0182 78 I 5.0182 8.4604 122.4253 59.4042 40.6929 174.6393 79 V 5.0008 9.1186 122.4418 59.5800 35.4417 174.2547 80 Q 5.0145 8.8588 126.2291 54.4774 32.1030 174.9770 81 G 4.0456 8.3728 110.7113 46.7012 0.0000 171.1591 82 R 5.0254 8.1164 119.5510 54.6094 31.7202 176.0328 83 L 4.6226 8.9595 127.9239 54.8966 42.6789 176.1306 84 K 4.8414 9.6674 125.1813 54.6068 36.5253 174.8240 85 Q 4.7188 8.4374 121.8880 54.5878 32.1084 174.5039 86 R 4.5455 8.2593 122.2982 55.0088 34.9531 176.1541 87 S 3.3434 8.6027 116.8659 59.9012 62.3418 171.6154 *96 R 4.3964 8.0611 122.9111 57.3740 29.7666 176.8825 97 T 4.7613 8.4293 105.8573 59.4766 71.5330 173.2452 98 V 4.6042 8.0900 121.3407 61.4699 34.1464 173.6095 99 Y 4.9489 8.7394 123.4159 56.9955 39.7939 174.3689 100 E 5.0300 9.6045 122.9522 54.4191 34.2162 174.5060 101 L 4.8884 8.7737 125.1442 53.6369 44.2740 175.3459 102 D 4.8934 9.0290 128.0574 53.1568 41.0449 175.5922 103 V 4.0482 8.4344 124.4214 63.2882 31.1278 175.3846 104 D 4.8018 9.3483 127.7543 55.7429 42.8962 176.1918 105 E 5.0144 7.9008 118.5319 54.7935 33.2227 174.2813 106 V 5.0126 8.5433 125.4749 59.9884 34.6397 174.8782 107 G 4.2968 9.1779 110.1206 44.1727 0.0000 171.4539 108 A 4.6127 8.5211 124.4996 50.9216 19.0479 177.4363 109 S 4.1385 8.6349 118.7196 58.4437 63.1004 173.9797 110 L 4.9087 8.2367 124.6101 53.9188 41.9101 177.4711 111 R 4.1061 7.9969 121.6726 59.0680 30.0227 178.3651 112 S 4.7280 7.5957 110.1063 56.7915 63.3649 173.0814 113 A 4.5598 7.7419 120.8733 52.6029 21.8692 176.0478 114 T 4.6655 8.2544 109.4890 59.7145 71.5520 173.5548 115 A 4.5729 8.1046 123.6557 50.2392 22.0801 175.5544 116 K 4.3417 8.6078 122.8574 54.7528 32.9353 175.6116 117 V 4.3276 8.2251 126.3234 61.3346 33.0531 174.8699 118 T 4.5731 8.1793 122.7001 61.2530 71.3480 174.0696 119 K 3.9695 8.8209 125.8998 56.8237 32.8312 176.9581 120 T 3.8479 8.4471 109.0498 62.4135 70.1773 172.0979 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 4 E 8.44 4.21 0.00 1.94 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 2.19 2.29 0.00 5 T 7.49 4.28 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 1.23 0.00 0.00 6 V 7.96 4.67 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 0.85 0.00 0.00 0.93 0.00 0.00 7 I 9.02 4.83 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 1.25 0.72 0.92 0.00 0.00 8 T 8.47 5.13 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 9 V 9.14 4.53 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 0.95 0.00 0.00 0.94 0.00 0.00 10 V 8.36 4.79 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 0.90 0.00 0.00 0.93 0.00 0.00 11 G 7.84 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 12 N 7.72 5.52 0.00 2.63 2.70 0.00 0.00 7.47 6.36 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 13 L 8.48 4.59 0.00 1.63 1.77 0.71 0.31 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 14 V 9.27 4.01 2.22 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 0.83 0.00 0.00 1.23 0.00 0.00 15 D 7.86 4.80 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.49 4.47 0.00 2.69 2.65 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 17 P 0.00 4.69 0.00 1.94 2.06 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 18 E 9.45 4.49 0.00 1.98 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 2.19 2.21 0.00 19 L 8.42 4.72 0.00 1.59 1.49 0.60 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.40 4.81 0.00 1.58 1.71 0.00 3.31 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 21 F 8.56 5.39 0.00 2.82 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 22 T 8.70 4.45 4.37 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 1.38 0.00 0.00 23 P 0.00 4.08 0.00 2.10 2.22 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 24 S 8.09 4.30 0.00 4.03 4.04 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 25 G 8.93 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 26 A 7.89 4.24 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.62 4.23 1.15 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 28 V 7.95 4.23 0.67 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 0.25 0.00 0.00 0.04 0.00 0.00 29 A 8.96 5.10 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 30 K 8.82 5.04 0.00 1.60 1.60 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.15 7.81 31 F 8.45 5.20 0.00 3.11 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 32 R 8.84 5.08 0.00 1.94 1.93 0.00 3.10 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 33 V 9.01 4.88 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 0.92 0.00 0.00 1.22 0.00 0.00 34 A 9.19 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.93 4.86 0.00 3.80 3.63 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 0.00 36 T 8.25 4.70 4.19 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 1.12 0.00 0.00 37 P 0.00 4.21 0.00 2.18 2.10 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 *49 D 7.86 4.68 0.00 2.56 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 50 G 8.17 4.17 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 0.00 51 E 8.74 4.32 0.00 1.87 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 0.00 2.35 2.37 0.00 52 S 8.51 4.65 0.00 3.38 3.18 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 53 L 8.71 4.31 0.00 1.66 1.55 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.88 5.33 0.00 2.96 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 55 L 8.83 4.90 0.00 1.58 1.53 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.17 4.58 4.23 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 1.14 0.00 0.00 57 C 9.20 5.19 0.00 1.32 2.21 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 0.00 58 S 8.66 5.08 0.00 3.61 3.77 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 0.00 0.00 0.00 0.00 59 V 8.76 4.95 2.22 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 1.01 0.00 0.00 1.04 0.00 0.00 60 W 8.92 4.94 0.00 3.12 3.22 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 61 R 9.02 4.01 0.00 2.12 1.96 0.00 3.45 0.00 0.00 3.35 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 62 Q 8.95 3.98 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 63 A 8.15 4.00 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 64 A 7.90 3.99 1.36 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 0.00 0.00 65 E 7.94 3.91 0.00 2.19 2.03 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 2.42 2.58 0.00 66 N 8.47 4.32 0.00 2.84 2.88 0.00 0.00 6.70 7.47 0.00 0.00 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 V 8.41 3.46 2.33 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 1.00 0.00 0.00 1.00 0.00 0.00 68 A 7.68 3.94 1.36 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 0.00 0.00 69 E 8.18 4.10 0.00 1.99 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 2.30 2.34 0.00 70 S 7.81 4.49 0.00 3.85 3.85 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 71 L 7.47 4.66 0.00 1.48 1.36 0.57 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.96 4.63 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 73 R 8.73 4.22 0.00 2.04 1.97 0.00 3.09 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 74 G 9.07 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 75 M 7.83 4.24 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.46 0.00 76 R 8.45 4.99 0.00 1.95 1.76 0.00 3.10 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 77 V 9.27 4.99 2.13 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 0.61 0.00 0.00 0.98 0.00 0.00 78 I 8.46 5.02 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 1.24 1.79 0.92 0.00 0.00 79 V 9.12 5.00 2.18 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 0.80 0.00 0.00 1.04 0.00 0.00 80 Q 8.86 5.01 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 81 G 8.37 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 82 R 8.12 5.03 0.00 1.82 1.87 0.00 3.16 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 83 L 8.96 4.62 0.00 1.63 1.63 1.11 0.66 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 84 K 9.67 4.84 0.00 1.75 1.62 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.34 1.21 7.81 85 Q 8.44 4.72 0.00 1.45 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.77 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 86 R 8.26 4.55 0.00 1.82 1.69 0.00 3.44 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 87 S 8.60 3.34 0.00 3.96 3.70 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 *96 R 8.06 4.40 0.00 1.94 1.50 0.00 3.01 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 97 T 8.43 4.76 4.23 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 1.16 0.00 0.00 98 V 8.09 4.60 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 1.02 0.00 0.00 0.94 0.00 0.00 99 Y 8.74 4.95 0.00 3.01 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 0.00 100 E 9.60 5.03 0.00 1.83 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 2.21 0.00 101 L 8.77 4.89 0.00 1.73 1.48 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 102 D 9.03 4.89 0.00 2.88 2.65 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 0.00 103 V 8.43 4.05 2.27 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 0.93 0.00 0.00 0.97 0.00 0.00 104 D 9.35 4.80 0.00 2.67 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 0.00 105 E 7.90 5.01 0.00 2.07 1.76 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 2.30 2.40 0.00 106 V 8.54 5.01 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 0.86 0.00 0.00 0.97 0.00 0.00 107 G 9.18 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 0.00 0.00 0.00 0.00 108 A 8.52 4.61 1.21 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 0.00 0.00 0.00 109 S 8.63 4.14 0.00 3.91 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 0.00 110 L 8.24 4.91 0.00 1.66 1.65 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.00 4.11 0.00 1.78 1.95 0.00 3.19 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 112 S 7.60 4.73 0.00 3.94 3.83 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 0.00 113 A 7.74 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 0.00 114 T 8.25 4.67 4.23 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 1.20 0.00 0.00 115 A 8.10 4.57 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 0.00 116 K 8.61 4.34 0.00 1.71 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.39 7.81 117 V 8.23 4.33 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 0.88 0.00 0.00 0.93 0.00 0.00 118 T 8.18 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 0.00 119 K 8.82 3.97 0.00 1.72 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 120 T 8.45 3.85 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 * Residues marked with a * may have inaccurate shift predictions.