NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3653 8.3144 120.1330 57.0194 33.4687 174.9852 3 T 4.5430 8.1282 104.2483 59.4180 69.8223 174.2412 4 A 4.6533 8.5532 129.1280 53.0119 18.9179 177.9527 5 Y 4.7993 8.9595 115.5039 57.4014 39.2403 175.8112 6 D 4.9221 7.9683 116.7586 54.0874 43.6834 177.8611 7 V 3.9062 7.7591 119.5796 65.5495 32.6413 175.8945 8 I 4.2778 7.6798 124.8245 61.2491 36.3976 175.3327 9 L 4.4262 8.7695 128.5093 56.1743 42.7505 176.9968 10 A 4.4472 7.7077 120.0055 51.7837 21.4894 172.6379 11 P 5.0710 0.0000 0.0000 61.3668 32.4440 175.7065 12 V 3.0191 7.1731 113.3806 62.5698 32.3161 175.5422 13 L 3.4482 8.3169 117.7527 55.4364 37.6531 174.3672 14 S 4.4533 6.2578 112.9683 55.2505 66.5387 174.8019 15 E 3.7712 8.4960 122.4941 60.0237 29.0886 179.0956 16 K 3.6865 7.9444 119.7518 59.5403 32.4985 178.1386 17 A 3.9427 7.8617 121.1561 54.6541 18.4187 179.1176 18 Y 2.5989 6.9580 114.4515 60.7930 37.7873 178.2394 19 A 4.0223 7.4643 120.1955 54.7811 18.5686 178.1481 20 G 3.9037 7.3293 105.2402 46.7495 0.0000 175.6360 21 F 4.1525 8.1290 121.1779 59.2861 39.4316 177.1162 22 A 4.0957 8.1413 122.2651 55.4570 17.9223 177.1924 23 E 4.1867 8.0074 114.5921 55.7498 31.0693 177.7663 24 G 4.1549 8.5907 111.8424 46.9932 0.0000 173.8358 25 K 5.0195 7.9392 117.6134 55.0129 33.7030 176.4237 26 Y 4.5193 9.0527 123.3095 56.6140 40.3174 174.7031 27 T 5.0007 8.2213 119.5390 61.8161 71.3525 173.2815 28 F 5.2286 8.9848 124.1735 55.2013 43.6787 174.2414 29 W 4.9130 9.0257 121.8693 56.7751 30.0460 176.1541 30 V 4.9190 8.9243 117.7518 59.1248 35.0347 174.9109 31 H 4.3516 9.3646 122.7937 56.1801 29.8331 174.2635 32 P 3.8774 0.0000 0.0000 66.0940 31.0401 176.9312 33 K 4.2628 7.3164 114.6408 56.0884 32.5406 178.8665 34 A 4.9678 8.0799 121.9104 52.5305 17.9033 177.6839 35 T 4.4142 8.2636 107.1097 61.7792 73.6654 174.0533 36 K 3.8764 8.6927 124.5991 60.2986 31.6042 179.6086 37 T 3.8229 7.7897 114.9516 66.5334 68.6317 175.9281 38 E 3.9141 8.1964 120.6103 59.5968 29.4885 178.4618 39 I 3.6008 8.6149 120.6022 63.7407 37.3444 177.6599 40 K 3.6127 8.6175 115.5810 60.1042 31.6653 178.2210 41 N 4.0311 5.8202 115.6097 56.5374 39.2272 175.5153 42 A 3.8513 8.1604 122.3430 55.1606 18.3574 179.4536 43 V 3.3334 8.1752 115.4570 66.4258 31.6868 178.3495 44 E 3.7961 8.0248 118.9497 59.1269 29.4405 178.6993 45 T 4.2861 7.7938 107.5218 62.8264 69.8436 176.5903 46 A 4.2183 8.1561 123.4148 55.0107 18.6643 178.3487 47 F 4.3497 8.7397 113.0935 56.6941 40.0484 175.7190 48 K 4.4753 8.0909 119.1915 55.8731 28.5646 174.7336 49 V 4.3788 7.3643 112.8681 60.1352 36.0852 173.1943 50 K 4.4371 8.6627 123.4228 55.3456 34.8580 176.8370 51 V 4.0925 8.1246 128.5736 62.9587 31.4479 175.8249 52 V 4.2784 8.6419 127.2824 63.6469 33.2522 175.2576 53 K 4.6987 7.7275 119.4620 55.3583 35.7758 174.6190 54 V 4.8828 8.1597 123.1862 61.5473 34.7120 173.6202 55 N 5.3232 9.1661 124.3661 51.7788 42.2275 173.5014 56 T 5.3052 8.2515 111.1702 60.5896 72.4614 172.4448 57 L 4.5264 8.6272 120.6973 55.5885 44.2469 172.9801 58 H 5.2183 8.8937 117.2959 54.4557 30.8036 174.7691 59 V 4.2319 8.7670 124.1271 61.2321 32.3749 175.2514 60 R 4.2405 8.7229 128.9477 56.2056 31.0144 176.2186 61 G 4.0287 8.4505 111.8599 45.3539 0.0000 173.2909 62 K 4.2804 8.7704 126.4141 56.0800 32.9678 176.5726 63 K 4.3593 8.6674 125.6718 57.1402 33.1327 176.5414 64 K 4.7653 8.6419 123.9990 54.4218 35.9276 175.0192 65 R 5.0464 8.0849 120.3712 54.8336 33.6410 174.4833 66 L 4.0993 8.8621 118.7553 55.0469 45.4292 174.5471 67 G 3.8416 8.6576 117.6659 46.2212 0.0000 173.3125 68 R 4.1160 7.8538 117.0713 56.8097 30.1325 176.3656 69 Y 4.8583 7.7399 117.8358 57.3570 38.9503 174.7556 70 L 4.7731 8.2871 124.6719 53.6569 43.4912 176.6657 71 G 4.1383 8.0945 107.2236 46.1065 0.0000 171.4418 72 K 4.9834 8.6367 118.5413 54.6305 36.3195 175.6808 73 R 4.7488 7.8151 119.6533 53.4065 32.5330 174.5612 74 P 4.2795 0.0000 0.0000 62.9158 31.5253 175.7048 75 D 4.6587 8.4045 120.7809 54.9383 41.8102 175.2395 76 R 4.7681 8.5399 117.9368 55.0504 35.6430 173.9344 77 K 5.2162 8.7089 120.3815 54.8248 35.9633 174.8457 78 K 5.2611 9.2976 125.0323 55.0915 36.4268 174.7826 79 A 5.1617 8.8333 122.6314 50.3983 22.8300 174.6380 80 I 4.7604 8.7283 122.9107 59.4537 40.0765 174.5439 81 V 4.9465 9.0768 123.6624 59.6209 34.4378 174.5360 82 Q 5.6779 8.4050 125.6608 53.8724 30.9760 175.2717 83 V 4.5657 8.5707 119.4553 60.3038 33.1565 175.8351 84 A 4.1713 9.0731 125.1648 51.5913 19.3565 175.4709 85 P 4.0506 0.0000 0.0000 64.7139 31.6552 174.9540 86 G 4.3855 9.1699 115.7138 46.2740 0.0000 174.2699 87 Q 4.2757 7.2704 118.3456 55.4707 29.3187 176.1291 88 K 4.5942 8.0517 117.4603 55.8217 35.0483 176.1626 89 I 3.9742 7.2015 123.3664 59.8542 36.4409 176.6015 90 E 3.9135 8.8294 125.8344 59.4047 29.6691 179.6467 91 A 3.9723 8.0296 119.8219 55.1253 18.6874 178.2828 92 L 4.4689 7.6278 113.3408 56.1945 42.3268 178.4509 93 E 4.1566 8.2339 118.0252 58.3306 29.1803 178.4399 94 G 3.5418 7.5854 110.5806 48.4000 0.0000 174.5604 *95 L 4.1219 7.5987 125.0043 53.5993 41.6291 178.8496 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 K 8.31 4.37 0.00 1.76 2.10 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.55 7.81 3 T 8.13 4.54 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 1.22 0.00 0.00 4 A 8.55 4.65 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 5 Y 8.96 4.80 0.00 2.88 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.97 4.92 0.00 2.63 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 7 V 7.76 3.91 2.05 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 0.86 0.00 0.00 0.92 0.00 0.00 8 I 7.68 4.28 1.91 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.48 0.92 0.00 0.00 9 L 8.77 4.43 0.00 1.91 1.84 1.08 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.71 4.45 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 11 P 0.00 5.07 0.00 2.30 2.22 0.00 3.99 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 2.09 2.14 0.00 12 V 7.17 3.02 1.74 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 -0.22 0.00 0.00 0.70 0.00 0.00 13 L 8.32 3.45 0.00 1.92 1.93 1.07 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.26 4.45 0.00 3.84 3.72 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 15 E 8.50 3.77 0.00 2.09 1.92 0.00 0.00 0.00 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 2.46 0.00 16 K 7.94 3.69 0.00 1.70 1.73 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.44 7.81 17 A 7.86 3.94 0.93 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 18 Y 6.96 2.60 0.00 2.86 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 19 A 7.46 4.02 1.27 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 0.00 0.00 20 G 7.33 3.90 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 0.00 0.00 0.00 21 F 8.13 4.15 0.00 2.91 2.93 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 22 A 8.14 4.10 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 23 E 8.01 4.19 0.00 2.01 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 0.00 2.37 2.27 0.00 24 G 8.59 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 25 K 7.94 5.02 0.00 1.83 1.69 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.34 7.81 26 Y 9.05 4.52 0.00 2.72 2.29 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 27 T 8.22 5.00 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 0.94 0.00 0.00 28 F 8.98 5.23 0.00 2.90 3.28 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 29 W 9.03 4.91 0.00 3.44 3.14 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 0.00 0.00 0.00 0.00 30 V 8.92 4.92 2.23 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 0.76 0.00 0.00 1.03 0.00 0.00 31 H 9.36 4.35 0.00 3.37 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 3.88 0.00 2.20 2.22 0.00 3.94 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.06 0.00 33 K 7.32 4.26 0.00 1.61 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.38 7.81 34 A 8.08 4.97 1.30 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 35 T 8.26 4.41 4.33 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 1.21 0.00 0.00 36 K 8.69 3.88 0.00 1.76 1.89 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.51 7.81 37 T 7.79 3.82 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 38 E 8.20 3.91 0.00 2.02 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 0.00 2.37 2.41 0.00 39 I 8.61 3.60 2.09 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 1.61 0.63 0.87 0.00 0.00 40 K 8.62 3.61 0.00 1.91 1.77 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.50 7.81 41 N 5.82 4.03 0.00 2.81 2.81 0.00 0.00 7.15 6.98 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 42 A 8.16 3.85 1.30 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 43 V 8.18 3.33 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 0.67 0.00 0.00 0.52 0.00 0.00 44 E 8.02 3.80 0.00 2.23 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 2.38 2.37 0.00 45 T 7.79 4.29 4.20 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 1.25 0.00 0.00 46 A 8.16 4.22 1.59 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 0.00 0.00 47 F 8.74 4.35 0.00 2.91 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 48 K 8.09 4.48 0.00 1.92 1.85 0.00 1.79 0.00 0.00 2.37 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.52 7.81 49 V 7.36 4.38 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 0.68 0.00 0.00 0.92 0.00 0.00 50 K 8.66 4.44 0.00 1.82 1.75 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.35 7.81 51 V 8.12 4.09 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 0.91 0.00 0.00 52 V 8.64 4.28 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 0.79 0.00 0.00 0.93 0.00 0.00 53 K 7.73 4.70 0.00 1.83 1.57 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.44 7.81 54 V 8.16 4.88 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 0.85 0.00 0.00 0.94 0.00 0.00 55 N 9.17 5.32 0.00 2.67 2.63 0.00 0.00 6.24 6.33 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 56 T 8.25 5.31 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 1.22 0.00 0.00 57 L 8.63 4.53 0.00 1.80 1.78 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.89 5.22 0.00 3.08 3.32 0.00 5.69 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 59 V 8.77 4.23 2.31 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 1.01 0.00 0.00 1.31 0.00 0.00 60 R 8.72 4.24 0.00 1.89 1.84 0.00 3.30 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 61 G 8.45 4.03 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 0.00 0.00 0.00 62 K 8.77 4.28 0.00 1.71 1.79 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.45 7.81 63 K 8.67 4.36 0.00 1.76 1.84 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.48 7.81 64 K 8.64 4.77 0.00 1.64 1.72 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.34 7.81 65 R 8.08 5.05 0.00 1.72 1.76 0.00 3.26 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 66 L 8.86 4.10 0.00 1.74 1.54 0.96 1.04 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 67 G 8.66 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 0.00 0.00 0.00 68 R 7.85 4.12 0.00 1.73 1.84 0.00 2.66 0.00 0.00 2.95 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.00 69 Y 7.74 4.86 0.00 3.25 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 70 L 8.29 4.77 0.00 1.64 1.61 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.09 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.64 4.98 0.00 1.58 1.71 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.48 7.81 73 R 7.82 4.75 0.00 1.84 1.75 0.00 3.14 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 74 P 0.00 4.28 0.00 2.10 2.07 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 75 D 8.40 4.66 0.00 2.57 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 76 R 8.54 4.77 0.00 1.48 1.52 0.00 2.82 0.00 0.00 2.78 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.54 0.00 77 K 8.71 5.22 0.00 1.71 1.61 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.43 7.81 78 K 9.30 5.26 0.00 1.46 1.29 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.16 7.81 79 A 8.83 5.16 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 80 I 8.73 4.76 1.79 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 1.21 1.64 0.86 0.00 0.00 81 V 9.08 4.95 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 0.94 0.00 0.00 1.05 0.00 0.00 82 Q 8.41 5.68 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 83 V 8.57 4.57 2.12 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 0.76 0.00 0.00 1.15 0.00 0.00 84 A 9.07 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.05 0.00 2.19 2.14 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 86 G 9.17 4.39 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 87 Q 7.27 4.28 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.51 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 88 K 8.05 4.59 0.00 1.90 1.81 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.51 7.81 89 I 7.20 3.97 0.56 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.48 0.90 0.00 0.00 90 E 8.83 3.91 0.00 1.99 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 2.39 2.26 0.00 91 A 8.03 3.97 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 92 L 7.63 4.47 0.00 1.54 1.70 0.53 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.23 4.16 0.00 2.10 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 0.00 2.52 2.65 0.00 94 G 7.59 3.54 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 0.00 0.00 0.00 *95 L 7.60 4.12 0.00 1.42 1.50 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.