NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 4.3188 8.4444 120.2279 56.0930 31.8150 176.2954 15 E 4.1765 8.0101 117.9247 56.1066 30.4528 173.4020 16 S 5.4213 7.7176 113.4939 56.7187 66.8065 172.6589 17 F 5.0738 8.4717 115.6944 55.1346 41.1933 174.1205 18 L 4.5968 8.4573 119.3983 53.3911 43.7365 174.6453 19 Y 5.4727 9.0434 125.9150 55.9041 41.1983 173.8326 20 F 5.1170 9.2560 129.9999 56.6525 40.6648 174.5657 21 A 4.3185 7.8000 127.9129 49.7811 21.8675 175.7478 22 Y 4.5637 7.2217 115.5906 56.1870 40.3932 174.7941 23 G 4.2241 6.8894 111.7416 45.0002 0.0000 176.1230 24 S 3.8404 8.7857 118.0759 61.3784 62.6257 175.5962 25 N 4.8451 7.9917 115.9277 53.5320 37.9902 176.7319 26 L 4.1479 8.0515 121.8804 56.8979 42.2403 177.6785 27 L 4.4276 7.7259 121.3950 54.1504 42.9106 176.9204 28 T 3.9049 8.9372 124.3612 67.1851 68.3560 176.3003 29 E 4.0234 8.1595 118.3867 59.3643 29.6921 179.0753 30 R 4.0258 7.7871 118.3607 59.4595 30.4614 178.1560 31 I 3.8007 7.6856 119.6489 63.6461 37.5899 177.4284 32 H 4.9023 7.7944 117.2568 57.5990 28.5278 176.8884 33 L 4.0292 7.6951 120.7762 58.2795 41.5731 179.2036 34 R 4.2510 7.7539 116.3371 57.1068 32.2610 176.8710 35 N 4.9314 7.8530 116.6285 50.8574 37.9902 173.3846 36 P 4.3181 0.0000 0.0000 64.1542 32.0721 178.0522 37 S 4.5307 7.7437 112.2276 57.8137 63.7024 174.1585 38 A 4.2474 7.8736 124.4481 52.5400 18.8587 176.5005 39 A 5.1466 8.9714 123.7008 49.6754 21.8271 175.6046 40 F 3.1025 9.2398 125.1595 58.9988 39.4003 173.4902 41 F 4.5455 7.4897 127.6292 58.3852 40.7086 174.8052 42 C 4.2175 6.2822 110.6755 57.6286 32.1117 172.0840 43 V 4.5692 7.8247 119.0381 61.9939 33.1948 174.3123 44 A 5.1330 8.9067 126.8973 50.8867 23.1218 174.5835 45 R 3.6991 8.0556 119.1701 53.9330 32.7820 174.7888 46 L 4.4688 8.5226 128.6189 53.1341 43.5556 175.3767 47 Q 4.2274 8.3552 127.7554 56.1126 30.8222 175.4037 48 D 5.2619 8.6532 120.4534 54.3060 39.1473 173.0207 49 F 5.0477 7.6472 116.4971 55.4626 42.2078 174.4046 50 K 4.4701 8.7114 124.4936 54.3544 34.6234 175.3437 51 L 4.3557 8.2452 128.0221 54.8788 43.5588 174.4219 52 D 4.6058 7.4538 120.5757 54.1495 45.6388 174.3837 53 F 5.3090 8.2460 118.6355 55.9839 43.8271 174.3207 54 G 4.6088 8.6043 106.7656 46.6287 0.0000 171.5764 55 N 5.3034 8.5715 117.6930 51.2143 40.2361 175.2404 56 S 4.2370 8.7827 119.6535 59.4566 63.6345 174.0971 57 Q 3.4161 9.7768 125.3709 56.8854 26.8049 175.3087 58 G 3.9706 8.1360 104.2385 45.5759 0.0000 174.8136 59 K 4.2837 8.5278 120.2012 55.8126 33.0251 176.3810 60 T 4.8909 8.1217 118.7686 60.8824 69.6978 174.7648 61 S 4.0390 8.6794 121.1545 59.2275 62.5825 174.5752 62 Q 4.0935 8.4833 125.3075 57.0805 29.2926 177.0417 63 T 3.8482 7.6300 114.5345 65.3816 68.8796 175.7142 64 W 4.6185 7.7644 118.8405 56.3903 30.0300 176.0605 65 H 3.8888 8.0276 114.1276 56.2131 25.8410 174.0532 66 G 4.0180 7.6715 103.9973 45.2918 0.0000 174.1326 67 G 4.4492 9.3643 108.1664 45.9674 0.0000 173.2426 68 I 4.4390 8.6527 115.3931 58.2604 40.6508 174.8421 69 A 4.2956 8.9350 126.3814 52.7167 18.8547 176.7044 70 T 5.0805 8.8318 115.4072 61.1825 71.6336 172.0690 71 I 4.9939 8.2461 116.7848 59.2287 41.0477 174.1580 72 F 5.3059 8.2967 116.7170 55.3290 41.8723 173.5122 73 Q 3.8812 8.6921 119.4357 55.8658 29.4253 176.0014 74 S 4.4774 9.3831 120.4221 56.2019 65.5650 171.6067 75 P 4.5257 0.0000 0.0000 64.4122 31.7776 174.9593 76 G 4.2882 8.9832 111.9746 45.7323 0.0000 173.6098 77 D 4.8464 7.6303 118.5934 54.3132 42.2909 175.1174 78 E 5.1475 8.4160 116.2619 55.3258 32.6421 174.5129 79 V 4.4870 8.6777 121.2020 60.9940 34.6249 174.0691 80 W 4.8900 7.5626 127.1703 55.1923 30.9457 175.9338 81 G 3.8198 9.1760 111.4965 45.4574 0.0000 171.0308 82 V 4.8627 8.1442 120.2646 61.1878 35.5483 175.8091 83 V 4.5592 9.3691 128.7183 61.7276 32.9344 174.3494 84 W 5.0936 9.4927 128.6593 54.8933 31.5615 175.6751 85 K 4.3902 9.4173 126.2623 55.3580 33.8624 175.0365 *87 N 4.8094 8.4215 121.1813 53.0596 39.9403 175.5452 88 K 4.4282 8.6340 124.0382 59.2517 32.3007 179.0306 89 S 4.3621 9.5274 113.5742 59.9883 63.1779 175.1576 90 N 4.6965 8.6761 118.9989 54.1750 38.5938 175.9794 91 L 3.3838 7.7380 121.6369 59.1323 41.9187 178.5065 92 N 4.2618 7.9576 115.0704 56.3031 38.7264 177.2873 93 S 4.0324 7.9854 114.0054 61.3313 62.5564 175.8947 94 L 3.8083 8.6352 123.4739 58.0456 41.7617 178.4596 95 D 4.3933 8.1993 118.9431 57.6485 40.7575 178.6528 96 E 3.9778 8.4690 119.7078 59.2138 29.3337 178.8057 97 Q 3.9961 7.9150 117.5491 57.8746 28.6839 177.1827 98 E 4.2270 7.5583 117.8900 54.6043 30.4832 176.1333 99 G 4.0632 7.6387 106.1425 46.7327 0.0000 175.5978 100 V 4.7205 7.6288 119.1262 65.0827 32.2127 178.0759 101 K 3.9925 8.1558 118.2571 59.2327 31.9612 177.5901 102 S 4.4454 8.0999 110.6640 57.8956 63.6127 173.2278 103 G 3.4439 7.6588 108.8210 46.2191 0.0000 172.6655 *105 Y 4.6072 7.2078 118.0735 58.1021 40.4173 175.4441 106 V 4.8790 8.4578 120.4617 59.7787 34.6960 175.1724 107 V 3.9756 8.4527 122.7106 62.9835 32.2255 175.0368 108 I 4.7744 8.2120 119.3657 59.1872 41.5254 173.2233 109 E 5.0356 8.7352 123.7232 54.6754 31.4508 175.3264 110 V 4.5386 8.9032 119.1899 59.4251 36.3326 174.9257 111 K 4.7145 8.5552 121.8169 55.1289 33.9273 175.6306 112 V 4.3699 8.3526 118.5327 59.4312 35.7128 174.5983 113 A 5.4712 8.0894 121.2624 51.1296 22.8381 176.8120 114 T 4.7472 8.4361 111.4712 60.9774 69.4825 174.9876 115 Q 4.3842 8.6337 119.4460 57.8878 28.6807 177.1870 116 E 4.1810 8.2077 116.9136 56.6865 29.8850 177.3345 117 G 3.8270 8.3037 107.4550 44.9643 0.0000 172.8477 118 K 4.3205 7.7131 121.6919 54.9071 33.2779 175.5298 119 E 4.6322 8.7170 128.9065 56.2903 30.6975 175.7266 120 I 4.7236 9.4959 126.0031 60.0253 42.0381 174.0462 121 T 4.8439 8.4654 122.3788 62.6297 69.8477 173.7504 122 C 5.1356 9.4886 123.2135 58.1008 33.4369 172.4251 123 R 4.9471 8.8359 119.9935 55.3523 32.1097 175.0954 124 S 4.5671 8.5886 119.4928 58.3348 65.8986 171.6618 125 Y 5.4712 8.8745 113.9253 57.3681 41.7488 174.9871 126 L 4.5441 8.6808 123.3567 56.0289 45.4019 176.8519 *128 T 4.3390 8.7246 105.9475 61.0374 70.8122 173.3614 129 N 5.0149 7.8683 120.0889 52.4458 41.3275 172.2059 130 Y 5.2131 8.1527 122.4546 56.1527 41.5089 173.4782 131 E 4.4743 8.6457 118.3882 54.1035 32.8426 175.8862 132 S 5.0204 8.6959 119.8852 59.8446 63.8568 173.9888 133 A 4.7481 9.0764 123.6660 50.0933 23.0611 174.2499 134 P 4.6767 0.0000 0.0000 62.2184 32.8255 174.1537 135 P 5.0858 0.0000 0.0000 62.1798 33.2122 175.9120 136 S 5.5652 8.4675 114.6733 57.1248 64.1033 173.5104 137 P 4.3201 0.0000 0.0000 65.7962 31.0469 179.1146 138 Q 4.1561 8.2308 116.7880 58.9885 28.7911 177.6179 139 Y 3.8273 8.2583 120.7008 60.3955 38.7834 177.9177 140 K 3.7003 8.1794 120.5643 59.4907 32.0792 178.9085 141 K 3.9766 7.7979 117.4592 59.3133 31.9637 179.1118 142 I 3.8717 7.3778 119.0607 64.5305 37.3488 178.1525 143 I 3.8181 7.1838 119.9891 64.3785 36.9261 179.6482 144 C 4.4627 8.0516 116.6808 59.7443 27.9934 176.2168 *146 G 3.8682 8.1306 110.6772 45.6749 0.0000 175.7800 147 A 4.0565 8.6904 122.8312 54.6585 18.2702 179.6745 148 K 4.2051 8.1423 119.2692 59.4350 32.1534 178.0563 149 E 3.8531 8.2498 117.3708 60.0067 29.4461 177.6611 150 N 4.4710 8.2841 113.5951 52.3365 39.3693 175.3505 151 G 3.8524 7.8414 108.0394 46.5354 0.0000 174.2111 152 L 4.1409 7.9300 117.4385 53.1760 42.9402 176.6107 153 P 3.9113 0.0000 0.0000 63.2123 32.1480 177.3684 154 L 3.9308 8.5195 122.4640 58.1755 41.9179 179.1536 155 E 4.0511 7.9846 118.5293 59.3498 29.7097 178.0022 156 Y 4.0937 7.8591 119.1541 60.8160 38.8484 177.8332 157 Q 3.9898 8.2535 118.9868 58.9869 28.6252 178.6689 158 E 3.9699 7.9895 119.4916 59.3168 29.2038 179.5904 159 K 3.9481 7.5434 117.8251 59.2222 32.4843 179.1568 160 L 4.0636 7.3770 118.8335 57.7434 41.4578 179.5349 161 K 4.0620 8.3043 117.1487 58.5533 32.0319 178.2650 162 A 4.4018 7.2577 119.1588 51.1711 19.0513 177.3286 163 I 3.7187 7.0220 119.7522 61.0690 37.5549 175.6667 164 E 4.1561 8.6595 125.8291 55.0527 29.5828 175.0656 165 P 4.6293 0.0000 0.0000 61.7973 33.2597 174.3692 166 N 4.8218 8.6802 116.8207 51.7106 39.5298 174.3221 167 D 4.8585 8.3416 116.6086 53.1469 39.3280 175.8095 168 Y 4.5810 7.9355 119.5210 57.3181 40.5497 174.8891 169 T 4.4603 7.4674 113.9580 61.3566 70.2969 173.8422 170 G 3.4506 5.7944 111.2530 44.0858 0.0000 173.3423 171 K 3.8545 8.2956 119.7896 57.1469 32.3093 175.5217 172 V 4.5659 7.8757 115.9468 59.0829 36.0250 174.6260 173 S 3.9366 8.5822 114.2061 59.0089 62.3001 174.4250 174 E 4.8331 9.4070 127.1924 59.0509 29.2646 179.0128 175 E 4.1931 8.1171 113.1307 57.7999 30.0536 177.6432 176 I 4.2855 7.0448 120.3512 62.4445 38.1024 177.5864 177 E 3.9707 8.1989 120.0018 59.7152 29.5037 179.1056 178 D 4.3725 7.8774 118.8532 57.2822 40.5740 178.9585 179 I 3.7638 7.6729 119.2772 64.5084 37.2610 178.0582 180 I 3.9532 7.6315 119.5773 64.0320 37.0010 178.1735 181 K 4.0709 8.3636 119.2227 59.3008 32.0960 177.0323 182 K 4.1203 7.7579 120.8038 57.2323 32.3607 176.4325 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 14 E 8.44 4.32 0.00 1.99 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 0.00 2.22 2.26 0.00 15 E 8.01 4.18 0.00 2.09 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 2.34 2.42 0.00 16 S 7.72 5.42 0.00 3.73 3.66 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 17 F 8.47 5.07 0.00 3.01 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 18 L 8.46 4.60 0.00 1.55 1.46 0.58 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 9.04 5.47 0.00 3.21 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 20 F 9.26 5.12 0.00 2.90 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 21 A 7.80 4.32 0.66 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 0.00 0.00 22 Y 7.22 4.56 0.00 3.06 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 23 G 6.89 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 0.00 0.00 0.00 0.00 24 S 8.79 3.84 0.00 4.11 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 25 N 7.99 4.85 0.00 2.79 2.84 0.00 0.00 7.19 6.74 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 26 L 8.05 4.15 0.00 1.73 1.79 1.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.73 4.43 0.00 1.88 1.59 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.94 3.90 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 1.32 0.00 0.00 29 E 8.16 4.02 0.00 1.95 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 0.00 2.35 2.47 0.00 30 R 7.79 4.03 0.00 2.01 2.14 0.00 3.33 0.00 0.00 3.50 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.79 0.00 31 I 7.69 3.80 1.55 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.95 0.01 0.00 0.00 32 H 7.79 4.90 0.00 3.37 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.70 4.03 0.00 1.64 1.71 0.93 0.95 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 34 R 7.75 4.25 0.00 1.77 1.92 0.00 3.28 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 35 N 7.85 4.93 0.00 2.73 2.65 0.00 0.00 6.72 7.43 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 36 P 0.00 4.32 0.00 2.11 2.23 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 37 S 7.74 4.53 0.00 4.00 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 38 A 7.87 4.25 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 39 A 8.97 5.15 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 40 F 9.24 3.10 0.00 2.48 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 41 F 7.49 4.55 0.00 2.74 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 42 C 6.28 4.22 0.00 2.80 2.52 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 43 V 7.82 4.57 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 1.24 0.00 0.00 1.18 0.00 0.00 44 A 8.91 5.13 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 45 R 8.06 3.70 0.00 0.67 0.78 0.00 3.01 0.00 0.00 2.77 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 46 L 8.52 4.47 0.00 1.43 1.54 0.84 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.36 4.23 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.07 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 48 D 8.65 5.26 0.00 2.92 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.65 5.05 0.00 2.83 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 50 K 8.71 4.47 0.00 1.60 0.74 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.04 1.31 7.81 51 L 8.25 4.36 0.00 1.65 1.54 0.77 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.45 4.61 0.00 2.93 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 53 F 8.25 5.31 0.00 3.25 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 54 G 8.60 4.61 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 0.00 0.00 0.00 55 N 8.57 5.30 0.00 2.72 2.89 0.00 0.00 7.08 6.68 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 56 S 8.78 4.24 0.00 3.76 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 57 Q 9.78 3.42 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 58 G 8.14 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 0.00 0.00 0.00 59 K 8.53 4.28 0.00 1.81 1.75 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.56 7.81 60 T 8.12 4.89 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 1.20 0.00 0.00 61 S 8.68 4.04 0.00 3.88 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 62 Q 8.48 4.09 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 63 T 7.63 3.85 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 0.34 0.00 0.00 64 W 7.76 4.62 0.00 3.05 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 65 H 8.03 3.89 0.00 2.29 2.44 0.00 5.89 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 66 G 7.67 4.02 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 0.00 67 G 9.36 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.65 4.44 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.77 0.00 0.00 69 A 8.93 4.30 1.25 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 70 T 8.83 5.08 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 0.66 0.00 0.00 71 I 8.25 4.99 1.72 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 -0.09 0.00 0.00 72 F 8.30 5.31 0.00 3.18 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 73 Q 8.69 3.88 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.81 0.00 0.00 0.00 0.00 0.00 1.19 1.57 0.00 74 S 9.38 4.48 0.00 3.99 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 75 P 0.00 4.53 0.00 2.07 1.97 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 76 G 8.98 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 0.00 0.00 0.00 0.00 77 D 7.63 4.85 0.00 2.80 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 78 E 8.42 5.15 0.00 1.73 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 2.32 2.51 0.00 79 V 8.68 4.49 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 0.85 0.00 0.00 0.85 0.00 0.00 80 W 7.56 4.89 0.00 1.78 2.77 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 81 G 9.18 3.82 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 0.00 0.00 0.00 82 V 8.14 4.86 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 0.28 0.00 0.00 1.07 0.00 0.00 83 V 9.37 4.56 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 0.96 0.00 0.00 1.07 0.00 0.00 84 W 9.49 5.09 0.00 3.37 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 85 K 9.42 4.39 0.00 1.68 1.71 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.15 7.81 *87 N 8.42 4.81 0.00 2.81 3.07 0.00 0.00 6.91 6.75 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 88 K 8.63 4.43 0.00 2.07 1.90 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.49 7.81 89 S 9.53 4.36 0.00 3.89 4.06 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 90 N 8.68 4.70 0.00 3.18 2.99 0.00 0.00 6.44 6.32 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 91 L 7.74 3.38 0.00 1.90 1.49 -0.18 0.51 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 92 N 7.96 4.26 0.00 2.75 2.83 0.00 0.00 6.54 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 93 S 7.99 4.03 0.00 3.87 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 94 L 8.64 3.81 0.00 1.86 1.79 0.45 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.20 4.39 0.00 2.96 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 96 E 8.47 3.98 0.00 2.06 1.90 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 2.29 2.47 0.00 97 Q 7.92 4.00 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.07 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 98 E 7.56 4.23 0.00 1.16 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 1.62 1.47 0.00 99 G 7.64 4.06 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 0.00 0.00 0.00 100 V 7.63 4.72 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 1.18 0.00 0.00 1.24 0.00 0.00 101 K 8.16 3.99 0.00 1.79 1.87 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.44 7.81 102 S 8.10 4.45 0.00 3.98 3.96 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 0.00 103 G 7.66 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.21 4.61 0.00 3.26 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 0.00 106 V 8.46 4.88 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 0.99 0.00 0.00 1.00 0.00 0.00 107 V 8.45 3.98 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 0.64 0.00 0.00 0.97 0.00 0.00 108 I 8.21 4.77 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 1.20 0.59 0.98 0.00 0.00 109 E 8.74 5.04 0.00 1.95 1.84 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 2.17 2.28 0.00 110 V 8.90 4.54 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 0.62 0.00 0.00 0.85 0.00 0.00 111 K 8.56 4.71 0.00 1.53 1.65 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.38 7.81 112 V 8.35 4.37 1.58 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 -0.43 0.00 0.00 0.48 0.00 0.00 113 A 8.09 5.47 1.11 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 0.00 0.00 0.00 114 T 8.44 4.75 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 1.18 0.00 0.00 115 Q 8.63 4.38 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.01 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 116 E 8.21 4.18 0.00 1.95 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 2.31 2.29 0.00 117 G 8.30 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 0.00 0.00 0.00 118 K 7.71 4.32 0.00 1.83 1.68 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 119 E 8.72 4.63 0.00 1.97 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 2.23 2.42 0.00 120 I 9.50 4.72 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 0.92 0.00 0.00 121 T 8.47 4.84 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 0.00 122 C 9.49 5.14 0.00 2.79 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 0.00 123 R 8.84 4.95 0.00 1.95 1.98 0.00 2.79 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.38 0.00 124 S 8.59 4.57 0.00 4.07 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 0.00 125 Y 8.87 5.47 0.00 2.67 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 0.00 126 L 8.68 4.54 0.00 1.91 1.83 1.08 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *128 T 8.72 4.34 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 1.30 0.00 0.00 129 N 7.87 5.01 0.00 2.76 2.73 0.00 0.00 6.76 7.56 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 0.00 130 Y 8.15 5.21 0.00 3.15 2.84 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 0.00 131 E 8.65 4.47 0.00 1.92 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 2.19 2.26 0.00 132 S 8.70 5.02 0.00 3.82 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 0.00 133 A 9.08 4.75 1.29 0.00 0.00 0.00 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3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.80 7.81 142 I 7.38 3.87 1.79 0.00 0.00 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 2.04 1.12 0.94 0.00 0.00 143 I 7.18 3.82 1.70 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.32 0.92 0.00 0.00 144 C 8.05 4.46 0.00 3.08 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 *146 G 8.13 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 0.00 147 A 8.69 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 4.21 0.00 1.97 1.81 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.29 7.81 149 E 8.25 3.85 0.00 2.00 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 0.00 2.26 2.41 0.00 150 N 8.28 4.47 0.00 2.80 2.86 0.00 0.00 7.14 7.05 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 0.00 151 G 7.84 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 0.00 0.00 0.00 152 L 7.93 4.14 0.00 1.84 1.65 1.08 1.29 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 0.00 153 P 0.00 3.91 0.00 1.46 1.46 0.00 2.76 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.00 0.00 154 L 8.52 3.93 0.00 1.55 1.72 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 155 E 7.98 4.05 0.00 1.98 1.94 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 2.38 2.33 0.00 156 Y 7.86 4.09 0.00 2.93 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 0.00 157 Q 8.25 3.99 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 158 E 7.99 3.97 0.00 2.26 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 2.45 2.48 0.00 159 K 7.54 3.95 0.00 1.50 1.72 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.57 7.81 160 L 7.38 4.06 0.00 1.76 1.65 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.30 4.06 0.00 1.65 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 162 A 7.26 4.40 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 0.00 163 I 7.02 3.72 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.71 0.00 0.00 164 E 8.66 4.16 0.00 1.96 1.90 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 2.30 2.29 0.00 165 P 0.00 4.63 0.00 2.19 2.05 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 166 N 8.68 4.82 0.00 2.93 3.05 0.00 0.00 7.13 8.74 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 0.00 167 D 8.34 4.86 0.00 2.80 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 0.00 168 Y 7.94 4.58 0.00 2.98 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 0.00 169 T 7.47 4.46 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 1.17 0.00 0.00 170 G 5.79 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.30 3.85 0.00 1.72 1.79 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 172 V 7.88 4.57 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 1.11 0.00 0.00 1.01 0.00 0.00 173 S 8.58 3.94 0.00 3.62 3.60 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 0.00 174 E 9.41 4.83 0.00 2.05 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 2.57 2.27 0.00 175 E 8.12 4.19 0.00 2.06 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 2.22 2.29 0.00 176 I 7.04 4.29 1.98 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 1.07 0.00 0.00 177 E 8.20 3.97 0.00 2.14 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 2.36 2.60 0.00 178 D 7.88 4.37 0.00 2.66 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 0.00 179 I 7.67 3.76 2.09 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 1.67 0.65 0.97 0.00 0.00 180 I 7.63 3.95 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.76 0.96 0.00 0.00 181 K 8.36 4.07 0.00 1.85 1.90 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.71 7.81 182 K 7.76 4.12 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.78 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.