NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.7114 8.1693 120.5796 54.7571 43.2244 175.4804 3 I 4.5278 8.7463 115.6846 58.7583 41.3692 172.5397 4 S 5.2129 9.3327 120.4664 57.6934 64.4842 175.3659 5 V 4.7104 8.7044 116.6790 58.9673 36.1582 174.7567 6 L 4.0928 8.7861 125.4732 55.5306 41.9622 176.4873 7 K 4.5035 9.1451 125.4294 57.9340 35.3107 176.4022 8 S 5.0397 7.5345 115.0001 56.8477 67.8614 173.3997 9 K 4.7600 9.0635 124.8202 55.1457 35.7439 174.5977 10 I 4.7865 8.8230 129.2498 60.0657 38.9339 174.8047 11 S 4.6083 9.0756 123.8481 57.0557 65.5808 174.0810 12 Y 3.7372 8.5100 119.1620 59.1016 35.0965 170.1660 13 A 4.2947 8.1396 122.1495 52.1711 19.8018 177.8229 14 T 4.8286 8.4496 120.1318 62.1472 69.9879 175.1820 15 V 3.9348 9.0282 128.1064 63.7137 31.9335 176.2636 16 T 4.3706 8.9253 118.2162 62.2940 70.5055 174.3210 17 G 4.3250 7.7917 107.8907 45.6125 0.0000 172.1782 18 K 5.3683 8.2415 118.2162 55.7803 35.7772 175.4922 19 D 4.4948 8.5744 122.1396 52.5277 43.2826 175.0020 20 L 3.9261 8.6740 128.3341 57.3151 42.7259 177.4757 21 F 5.0507 7.4314 117.3638 56.3013 39.2121 174.7706 22 Y 4.4696 8.1216 126.3255 58.0993 37.9828 177.2495 *25 S 4.3621 9.0935 111.5469 57.9875 64.6664 171.4000 26 I 4.7959 7.9399 127.0452 59.4382 40.9001 173.9241 27 T 4.9501 8.8868 126.6581 62.4546 70.2945 173.8609 28 I 5.0104 8.3594 126.6166 59.4806 41.4184 173.9883 29 D 4.7036 8.8740 125.8081 54.1290 41.1515 178.0984 30 S 4.2541 8.7076 121.5700 61.0709 63.5580 175.6111 31 E 4.1444 8.7579 121.3730 59.2247 29.5967 179.2514 32 I 3.9111 7.7451 117.7279 61.6097 36.7137 177.8853 *34 K 4.2037 8.2312 123.2313 56.6668 33.7130 177.5348 35 Q 3.9007 8.1476 116.1261 59.0573 28.5761 177.7410 36 A 4.2436 7.9957 116.9941 51.6899 18.8564 176.5628 37 N 4.1980 7.6945 112.3883 54.3421 36.7604 174.1957 38 I 4.5790 7.7685 117.2711 59.5326 39.4528 175.6451 39 I 4.4420 8.5616 118.2877 58.3564 39.7493 174.6359 40 E 4.0316 8.5927 121.6267 58.4193 29.5180 176.9684 41 N 4.5598 9.4209 122.1199 53.4324 37.3977 174.0231 42 E 4.2008 8.0151 120.9022 55.8327 30.9016 175.8699 43 K 4.7778 8.6542 128.0187 56.6794 33.1633 176.2685 44 V 4.7552 9.0814 119.6710 59.6752 36.5840 174.0670 45 Q 4.8266 9.1119 125.2634 55.3268 30.7135 174.4992 46 V 4.8884 9.0852 126.3457 61.2037 34.3549 174.4980 47 V 4.8702 8.8128 120.6905 59.4670 35.6576 174.0133 48 N 5.0925 8.5137 123.0252 51.7900 40.4002 175.2349 49 L 3.8232 8.7648 127.5076 57.7200 41.8665 178.8734 50 N 4.4310 8.6193 116.4937 55.6819 38.5415 175.7602 51 N 4.7096 8.2419 111.0534 51.7888 38.3723 175.4654 52 G 3.8957 8.2958 107.2193 45.5118 0.0000 173.9165 53 E 4.1809 8.5246 120.3823 56.5375 30.7767 176.2467 54 R 5.1663 8.4171 121.2990 54.4172 33.5931 174.4867 55 L 4.8549 9.0636 123.0702 54.3957 44.7870 174.5267 56 E 5.1854 8.5890 118.1945 55.2699 32.3696 175.6151 57 T 4.6884 8.6642 117.2919 61.6039 71.2789 171.2432 58 Y 5.3305 8.1675 117.7817 55.3327 41.9895 174.3657 59 V 4.6737 8.4161 119.8105 61.7347 33.5777 174.5437 60 I 4.9102 8.5568 128.4064 59.1275 40.1107 175.1664 61 K 4.3539 8.8661 126.0921 56.6291 32.7595 176.9182 62 G 4.1596 8.8399 112.3684 44.1429 0.0000 172.5529 63 E 4.5728 8.5854 119.4689 55.3411 30.6282 175.4320 64 P 4.5238 0.0000 0.0000 64.2313 31.8515 175.7716 65 N 4.3101 9.1351 117.1221 54.1707 36.1115 175.3729 66 S 4.2047 7.9438 113.8838 58.9892 63.4548 174.9420 67 K 3.9347 8.8428 118.9623 57.3536 30.1785 175.3447 68 T 4.0250 7.7911 116.4745 64.0448 69.6332 173.7665 69 I 5.0162 8.8889 126.1228 59.7748 41.0729 173.9059 70 A 5.5616 8.8274 128.6981 48.9109 22.7868 174.3264 71 L 4.8374 8.4639 122.1460 53.3676 43.5248 175.4643 72 N 5.0762 8.9209 121.7517 52.5439 41.4321 177.0323 73 G 4.2488 8.6855 109.4624 44.9833 0.0000 172.4240 74 P 4.0874 0.0000 0.0000 65.5854 31.1490 178.0853 75 A 3.9664 8.0567 118.8188 54.8821 17.8465 179.1319 76 A 3.8755 8.0759 119.7361 55.2890 18.1600 179.3983 77 R 4.1795 7.9175 114.3964 57.6556 30.1693 177.4161 78 R 4.5186 7.5702 117.4810 55.5630 30.3764 174.9198 79 C 4.7949 7.3819 110.9900 57.4414 32.8711 172.5500 80 E 4.7602 8.9973 118.2733 53.9706 32.9397 175.7271 81 I 3.8965 8.1439 121.5928 63.2220 37.5201 176.7750 82 G 4.0225 8.9873 113.9640 45.1202 0.0000 173.7106 83 D 4.5197 7.8695 119.8579 54.8167 42.3078 175.4011 84 Q 5.0243 8.5828 120.4884 54.6040 30.8963 174.6603 85 L 5.1790 9.1026 123.7947 52.9365 45.6543 175.2394 86 F 5.5945 8.8399 120.1032 55.9411 41.8840 174.7394 87 I 4.9478 8.9322 123.8968 59.6275 40.0983 174.5355 88 I 4.8794 8.9589 128.1127 59.3796 40.6218 174.6703 89 S 4.9245 8.7968 120.2105 56.6800 65.7628 172.2583 90 Y 5.2560 8.6188 122.0349 56.5335 41.2703 174.7641 91 T 4.7475 8.8351 114.8449 60.5302 71.2898 172.5820 92 Q 4.9634 8.7292 126.7282 55.4946 29.8420 175.5764 93 V 4.5644 8.9014 116.5652 59.3770 37.0220 174.4973 94 D 4.7844 8.6178 122.7044 53.1103 41.0248 175.3942 95 P 4.4544 0.0000 0.0000 65.0199 31.5671 177.4058 96 T 4.0452 7.9276 108.6844 63.3315 69.0735 174.9718 97 R 4.2630 7.7523 124.1347 55.4928 31.2466 176.3940 98 E 4.1615 8.3982 114.5878 56.1317 30.1216 173.7831 99 N 4.5976 8.4054 118.2200 53.0021 39.3268 175.2893 100 I 3.7676 8.3411 125.9590 61.6242 37.5592 176.5088 101 K 4.3163 8.4858 127.8793 52.7075 31.5872 171.3552 102 P 4.6253 0.0000 0.0000 61.5197 32.4157 176.3414 103 K 4.2749 8.8335 125.0652 55.6550 33.2128 175.2216 104 L 5.0170 8.4548 127.8508 52.9114 43.9725 176.0746 105 V 4.2610 8.9700 124.3516 61.0892 34.1414 173.5983 106 D 5.1133 8.7794 128.2529 52.6772 42.1875 175.2293 107 L 4.5618 8.8637 126.1235 54.3403 42.5234 177.1523 108 K 4.0687 8.4930 126.7428 56.6852 32.0330 176.4542 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 L 8.17 4.71 0.00 1.55 1.67 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.75 4.53 1.87 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 1.23 1.47 0.91 0.00 0.00 4 S 9.33 5.21 0.00 3.68 3.74 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 5 V 8.70 4.71 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 0.72 0.00 0.00 1.04 0.00 0.00 6 L 8.79 4.09 0.00 1.62 1.56 0.65 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.15 4.50 0.00 1.79 2.00 0.00 1.35 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.33 7.81 8 S 7.53 5.04 0.00 3.66 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 9 K 9.06 4.76 0.00 1.61 1.45 0.00 1.44 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.05 1.23 7.81 10 I 8.82 4.79 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.91 0.00 0.00 11 S 9.08 4.61 0.00 3.59 3.26 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 12 Y 8.51 3.74 0.00 3.22 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 13 A 8.14 4.29 1.28 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 0.00 0.00 14 T 8.45 4.83 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 1.28 0.00 0.00 15 V 9.03 3.93 2.19 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 1.09 0.00 0.00 0.96 0.00 0.00 16 T 8.93 4.37 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 1.32 0.00 0.00 17 G 7.79 4.32 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 0.00 18 K 8.24 5.37 0.00 1.72 1.70 0.00 1.10 0.00 0.00 2.27 0.00 0.00 2.65 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.26 7.81 19 D 8.57 4.49 0.00 2.82 2.63 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 20 L 8.67 3.93 0.00 1.55 1.19 0.69 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.43 5.05 0.00 3.15 2.99 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 22 Y 8.12 4.47 0.00 3.02 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 *25 S 9.09 4.36 0.00 3.54 3.31 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 0.00 26 I 7.94 4.80 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.28 0.80 0.00 0.00 27 T 8.89 4.95 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 1.27 0.00 0.00 28 I 8.36 5.01 1.86 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 1.08 0.81 0.90 0.00 0.00 29 D 8.87 4.70 0.00 2.83 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 30 S 8.71 4.25 0.00 4.06 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 31 E 8.76 4.14 0.00 2.17 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 2.33 2.42 0.00 32 I 7.75 3.91 2.03 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 1.18 0.92 0.91 0.00 0.00 *34 K 8.23 4.20 0.00 1.89 2.00 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 35 Q 8.15 3.90 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 36 A 8.00 4.24 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 37 N 7.69 4.20 0.00 2.87 2.89 0.00 0.00 6.82 7.61 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 38 I 7.77 4.58 1.86 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 1.45 0.70 0.91 0.00 0.00 39 I 8.56 4.44 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 1.39 0.78 0.92 0.00 0.00 40 E 8.59 4.03 0.00 1.98 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 2.36 2.43 0.00 41 N 9.42 4.56 0.00 2.90 2.93 0.00 0.00 6.99 7.49 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 42 E 8.02 4.20 0.00 2.16 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 2.33 2.29 0.00 43 K 8.65 4.78 0.00 1.87 1.75 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.54 7.81 44 V 9.08 4.76 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 0.63 0.00 0.00 0.92 0.00 0.00 45 Q 9.11 4.83 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 46 V 9.09 4.89 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 0.97 0.00 0.00 0.90 0.00 0.00 47 V 8.81 4.87 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 0.68 0.00 0.00 0.97 0.00 0.00 48 N 8.51 5.09 0.00 2.69 2.69 0.00 0.00 7.09 6.79 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 49 L 8.76 3.82 0.00 1.45 1.57 -0.17 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.62 4.43 0.00 2.84 2.84 0.00 0.00 6.83 7.59 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 51 N 8.24 4.71 0.00 2.74 2.86 0.00 0.00 6.06 7.00 0.00 0.00 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 G 8.30 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 53 E 8.52 4.18 0.00 1.92 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 2.41 2.55 0.00 54 R 8.42 5.17 0.00 1.62 1.79 0.00 3.16 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 55 L 9.06 4.85 0.00 1.68 1.69 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.59 5.19 0.00 1.85 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 2.24 2.28 0.00 57 T 8.66 4.69 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 1.13 0.00 0.00 58 Y 8.17 5.33 0.00 3.03 3.04 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 59 V 8.42 4.67 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 0.94 0.00 0.00 0.93 0.00 0.00 60 I 8.56 4.91 1.78 0.00 0.00 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 1.41 0.50 1.01 0.00 0.00 61 K 8.87 4.35 0.00 1.68 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 62 G 8.84 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 0.00 0.00 0.00 63 E 8.59 4.57 0.00 1.92 1.89 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 2.42 2.27 0.00 64 P 0.00 4.52 0.00 2.18 2.06 0.00 3.92 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 65 N 9.14 4.31 0.00 2.88 2.96 0.00 0.00 7.06 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 66 S 7.94 4.20 0.00 3.99 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 67 K 8.84 3.93 0.00 1.89 1.94 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 68 T 7.79 4.03 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 69 I 8.89 5.02 2.08 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 1.34 1.00 0.89 0.00 0.00 70 A 8.83 5.56 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 71 L 8.46 4.84 0.00 1.53 1.50 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.92 5.08 0.00 2.07 2.14 0.00 0.00 7.10 7.64 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 73 G 8.69 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 0.00 0.00 0.00 0.00 74 P 0.00 4.09 0.00 2.14 2.09 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 75 A 8.06 3.97 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 76 A 8.08 3.88 1.28 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 0.00 0.00 77 R 7.92 4.18 0.00 1.87 1.95 0.00 3.09 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 78 R 7.57 4.52 0.00 1.83 1.88 0.00 3.49 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 79 C 7.38 4.79 0.00 3.04 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 80 E 9.00 4.76 0.00 1.95 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 2.19 2.37 0.00 81 I 8.14 3.90 1.87 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 1.34 0.45 0.96 0.00 0.00 82 G 8.99 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 83 D 7.87 4.52 0.00 2.67 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 84 Q 8.58 5.02 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 85 L 9.10 5.18 0.00 1.52 1.51 0.89 0.82 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 86 F 8.84 5.59 0.00 2.77 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 87 I 8.93 4.95 1.85 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 1.22 0.86 0.89 0.00 0.00 88 I 8.96 4.88 1.82 0.00 0.00 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 0.99 0.79 0.29 0.00 0.00 89 S 8.80 4.92 0.00 3.78 3.57 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 90 Y 8.62 5.26 0.00 2.88 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 91 T 8.84 4.75 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 1.24 0.00 0.00 92 Q 8.73 4.96 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 93 V 8.90 4.56 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 0.72 0.00 0.00 1.00 0.00 0.00 94 D 8.62 4.78 0.00 2.76 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 95 P 0.00 4.45 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 96 T 7.93 4.05 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 97 R 7.75 4.26 0.00 2.05 1.94 0.00 3.17 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 98 E 8.40 4.16 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 2.23 1.91 0.00 99 N 8.41 4.60 0.00 2.69 2.78 0.00 0.00 7.00 7.45 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 0.00 100 I 8.34 3.77 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 1.28 0.75 0.91 0.00 0.00 101 K 8.49 4.32 0.00 1.77 1.63 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 1.02 7.81 102 P 0.00 4.63 0.00 1.88 1.95 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 103 K 8.83 4.27 0.00 1.85 1.65 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.43 7.81 104 L 8.45 5.02 0.00 1.50 1.49 0.87 0.80 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 0.00 105 V 8.97 4.26 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 0.79 0.00 0.00 0.90 0.00 0.00 106 D 8.78 5.11 0.00 2.71 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 0.00 107 L 8.86 4.56 0.00 1.92 1.72 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.49 4.07 0.00 1.34 1.57 0.00 1.45 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.26 1.01 7.81 * Residues marked with a * may have inaccurate shift predictions.