NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4268 8.1227 122.4666 51.9514 20.5284 175.3588 3 N 5.2374 8.5146 120.1791 50.4958 42.3125 168.3417 4 V 4.5837 9.0353 125.9495 59.8657 34.9867 174.3975 5 V 4.7177 8.2354 123.7118 59.7530 33.2590 174.3424 6 A 4.3880 8.5943 126.7924 50.9932 20.0155 176.4809 7 E 4.9100 8.8281 121.9443 55.0250 32.9222 177.9777 8 G 3.6698 8.4871 107.1319 46.6392 0.0000 176.7276 9 A 4.1196 8.6107 124.3377 54.8115 18.6246 177.8197 10 Y 4.4786 6.8251 109.9449 57.7834 38.4798 174.9239 11 P 4.3926 0.0000 0.0000 62.5291 32.1991 175.6000 12 Y 4.2842 8.6549 123.6872 58.1011 39.9468 174.2090 13 C 5.0344 7.8660 124.8227 57.8508 35.3505 172.4825 14 R 4.9125 8.9717 126.1483 54.4884 33.1854 173.5191 15 L 5.3873 8.6890 126.0114 53.4383 44.7134 175.4364 16 T 5.0711 8.8575 116.7488 61.1346 71.3357 173.0971 17 D 5.3373 8.4693 123.1729 52.5552 40.1110 176.1515 18 Q 4.5659 8.1109 118.4720 53.5928 30.7507 173.6831 19 P 4.2872 0.0000 0.0000 62.8290 31.7720 176.8911 20 L 4.3518 8.1695 122.1275 54.3425 42.2778 176.7841 21 S 4.5487 8.1740 112.8113 55.8132 65.3541 174.4121 22 V 3.5257 8.3376 128.5372 66.2381 31.5128 177.2906 23 D 4.3420 8.1484 118.1544 57.7228 40.6308 178.9040 24 E 3.8644 8.0645 118.6517 59.3284 29.2546 179.6047 25 V 3.0602 7.0040 116.2104 65.5099 31.7303 177.3911 26 L 3.9863 8.3988 120.1891 58.2397 42.0707 178.7746 27 A 3.9210 8.3093 120.7104 55.2279 18.0722 179.4054 28 A 3.9549 7.7623 118.0299 54.4125 18.3996 178.6532 29 V 4.1971 7.0649 107.9165 61.1915 32.4494 176.3381 30 S 4.4021 7.6596 116.5034 58.2303 63.5889 173.6520 31 G 4.0236 8.1276 109.3215 44.4458 0.0000 172.5655 32 P 4.1710 0.0000 0.0000 64.9830 31.4059 177.2825 33 E 4.4275 8.1044 114.4616 55.9600 30.2175 175.2786 34 Q 4.6489 8.2184 120.0015 54.8626 28.0061 175.3779 35 G 3.9010 7.9794 110.9746 46.2080 0.0000 172.4943 36 G 4.3706 8.3142 108.2522 44.3064 0.0000 172.2181 37 I 5.1084 8.3842 124.9844 59.3567 40.6684 174.8642 38 V 4.1797 9.0316 126.7387 60.9409 34.1195 174.0090 39 I 4.9262 8.3333 128.1485 59.5124 39.4845 174.4512 40 F 4.8854 9.1661 129.9198 56.4158 41.5508 174.3194 41 V 4.2146 7.5208 125.3809 60.8333 33.7825 174.5797 42 G 3.8847 8.4003 116.2111 44.9740 0.0000 172.1210 43 N 5.4483 8.4293 123.2348 51.1025 42.1298 174.5697 44 V 3.9499 8.6386 122.7791 63.0599 32.4716 175.7133 45 R 4.8713 8.5582 124.9109 54.6195 32.1859 174.6785 46 D 4.8779 8.4125 117.6551 52.0757 41.5049 175.3983 47 H 4.8983 7.7740 116.5891 55.7798 30.2123 173.0412 48 N 3.9976 8.2052 117.6434 53.8927 34.5292 173.7883 *52 D 4.6872 7.8064 118.6462 52.4157 42.5343 175.7002 53 V 4.8294 7.7997 119.1168 61.4659 35.4353 174.0959 54 T 5.1751 8.8526 122.9407 61.9110 72.0895 172.8992 55 R 4.9179 9.0512 125.4125 54.6120 32.6474 175.3570 56 L 5.3454 8.0824 122.9333 53.0396 45.4357 175.6837 57 F 5.0121 9.3589 121.3653 55.7577 43.8519 173.8327 58 Y 4.9379 8.1787 118.6528 58.6449 38.1329 176.0162 59 E 4.5777 9.2466 120.8076 57.1514 30.3362 176.0235 60 A 4.8669 7.9020 121.0302 49.4997 22.6023 174.9672 61 Y 4.4224 8.4300 120.2475 57.2910 39.6163 175.0327 62 P 3.9294 0.0000 0.0000 65.4333 31.3759 176.8001 63 P 4.0390 0.0000 0.0000 65.8179 31.1692 178.1400 64 M 3.9732 7.9181 116.5031 58.7048 32.0579 178.4699 65 V 3.4545 7.4353 117.7816 65.8358 31.6501 177.8893 66 I 3.5245 7.7109 119.6527 64.2223 36.9165 178.0372 67 R 3.8034 7.9244 119.5620 59.9266 29.8194 178.3214 68 T 3.8407 7.8443 115.0629 66.7978 68.4117 176.4884 69 L 3.9686 8.0757 120.8587 58.0804 41.6662 179.3191 70 M 3.9918 8.4593 118.5322 58.6195 32.1099 178.2357 71 S 4.1153 8.3019 113.5033 61.2466 62.5056 176.2404 72 I 3.6892 7.8425 122.5621 64.3596 36.7966 178.1367 73 I 3.7976 8.0557 121.1163 64.5105 36.9952 178.3267 74 G 3.7842 8.0422 106.1254 48.1606 0.0000 175.7400 75 R 3.9495 7.7347 119.4204 59.0389 30.0453 178.6510 76 C 4.2965 8.2733 116.5395 63.0139 27.6738 176.1530 77 E 4.1221 8.5943 120.3462 59.2846 28.8062 178.9160 78 D 4.1682 7.8858 117.8850 56.5815 40.8865 178.4283 79 K 4.1992 7.5784 117.3831 58.1156 32.2176 176.5164 80 A 4.6462 6.8348 119.0382 50.3369 22.4450 175.1235 81 E 3.9864 8.5609 120.8893 57.3249 29.8939 177.1683 82 G 3.8947 8.9197 112.9243 45.6963 0.0000 172.5017 83 V 4.3746 7.5751 119.5227 62.3713 32.4584 175.4532 84 R 4.9083 9.1459 126.6810 54.3953 33.2745 174.6314 85 V 5.0469 8.9678 123.2804 61.1070 34.4274 174.5953 86 A 5.1011 9.1864 127.4784 50.3628 23.0484 175.0720 87 V 4.9194 9.2395 120.8151 61.0137 35.0049 174.0390 88 A 5.3878 9.3461 129.5589 50.4521 22.0367 174.3300 89 H 5.2097 9.5560 121.8877 54.3156 33.5139 171.9874 90 R 5.8907 9.0010 125.5198 54.1162 32.7274 174.4207 91 T 4.3203 8.2850 113.9430 60.1214 73.0007 172.0742 92 G 3.7583 8.4859 106.0463 44.2203 0.0000 171.6882 93 E 4.7147 8.3778 123.2979 55.2114 30.5475 176.7662 94 L 4.9570 8.9763 127.1092 53.0848 45.3671 176.0630 95 Q 4.7229 9.5797 121.3069 54.2678 31.2011 175.4870 96 I 3.8222 7.4279 121.9586 63.5857 37.3965 176.4741 97 G 4.0436 9.2555 114.5875 45.2489 0.0000 173.5970 98 D 4.5669 8.1990 120.1715 54.0098 42.1006 175.6522 99 A 4.7133 8.7382 124.4181 51.3865 18.5928 177.1476 100 A 4.4029 9.2734 125.5975 53.4017 20.7040 177.5044 101 V 4.8258 7.4563 113.7664 60.1792 35.3699 174.4920 102 V 4.7304 8.9639 123.1610 61.2354 34.3528 174.0543 103 I 5.0814 9.4018 128.8518 59.4538 40.4623 174.7958 104 G 4.4909 9.2447 112.9042 44.3701 0.0000 171.5762 105 A 5.4574 9.1327 125.1959 50.0914 22.8020 175.1844 106 S 5.4686 9.1774 115.4952 55.7107 67.4091 172.4206 107 A 4.8410 7.9855 119.0517 51.4721 21.7516 175.4271 108 P 4.5800 0.0000 0.0000 64.6967 31.9792 176.5649 109 H 5.1089 8.0041 114.4655 53.0740 32.5638 174.7999 110 R 3.8888 8.7015 117.8475 59.4794 29.2568 178.6135 111 A 4.0949 8.1964 121.0964 55.3414 18.2848 179.4089 112 E 4.0543 8.2937 115.9417 59.1055 29.5908 179.3461 113 A 3.9728 7.6767 120.9648 55.0595 18.4040 179.6697 114 F 3.9665 8.4461 116.3014 60.6976 38.9578 177.4173 115 D 4.4140 8.2963 118.2919 57.5625 40.6729 178.9450 116 A 3.9910 8.3222 120.9509 55.0633 18.4183 179.5404 117 A 3.9151 8.0843 119.2695 55.2363 18.4682 179.8933 118 R 3.6945 8.1737 117.3059 59.7501 30.1834 178.1484 119 M 3.9592 8.3466 118.4547 58.8486 32.1401 177.6589 120 C 4.0646 8.2000 118.5771 62.6777 31.8295 175.4420 121 I 3.7115 7.6478 120.0646 63.9672 37.4327 177.7023 122 E 3.9244 8.1265 119.5327 59.4166 29.3348 179.3323 123 L 3.9967 8.0919 119.0882 57.5204 41.6388 179.1210 124 L 3.9772 8.0339 120.3176 58.4524 41.8126 179.4147 125 K 4.1751 7.9529 117.0004 59.0228 32.0583 178.7619 126 Q 4.2738 7.8794 116.0015 57.4207 29.0597 176.3004 127 E 4.3915 8.1649 118.8223 56.2566 31.6026 175.8732 128 V 4.1361 8.0470 119.2561 60.4049 31.7690 173.1287 129 P 4.6972 0.0000 0.0000 62.5113 32.7754 175.1003 130 I 5.1903 8.3187 124.2042 59.0263 40.3825 174.7496 131 W 4.4015 9.9456 135.0000 57.0090 31.6290 174.7619 132 K 5.1541 8.2469 128.0990 54.5780 34.5789 175.0526 133 K 4.5520 9.0496 127.5263 54.7921 36.0223 174.4463 134 E 5.1837 8.7521 125.3813 55.2530 31.1853 174.9475 135 F 4.8246 9.4421 121.3882 55.7531 44.0503 175.3977 136 S 4.4324 8.7558 112.9372 58.7049 62.4607 173.3683 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 A 8.12 4.43 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 3 N 8.51 5.24 0.00 2.76 2.64 0.00 0.00 6.89 6.83 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 4 V 9.04 4.58 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 0.66 0.00 0.00 0.83 0.00 0.00 5 V 8.24 4.72 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 0.70 0.00 0.00 0.57 0.00 0.00 6 A 8.59 4.39 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 7 E 8.83 4.91 0.00 2.00 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 2.22 2.29 0.00 8 G 8.49 3.67 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 0.00 0.00 0.00 9 A 8.61 4.12 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 10 Y 6.83 4.48 0.00 3.22 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 11 P 0.00 4.39 0.00 2.09 2.05 0.00 3.85 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 2.08 2.14 0.00 12 Y 8.65 4.28 0.00 3.07 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 13 C 7.87 5.03 0.00 2.87 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.97 4.91 0.00 1.56 1.71 0.00 3.20 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 15 L 8.69 5.39 0.00 1.62 1.65 0.67 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.86 5.07 4.47 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 0.00 0.00 0.00 1.37 0.00 0.00 17 D 8.47 5.34 0.00 2.78 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 18 Q 8.11 4.57 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 19 P 0.00 4.29 0.00 2.03 1.97 0.00 3.67 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 2.02 2.09 0.00 20 L 8.17 4.35 0.00 1.61 1.61 0.96 0.82 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 21 S 8.17 4.55 0.00 3.82 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 22 V 8.34 3.53 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 0.97 0.00 0.00 0.87 0.00 0.00 23 D 8.15 4.34 0.00 2.69 2.69 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 24 E 8.06 3.86 0.00 1.98 1.91 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 2.33 2.30 0.00 25 V 7.00 3.06 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 0.85 0.00 0.00 26 L 8.40 3.99 0.00 1.80 1.78 0.87 1.15 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 27 A 8.31 3.92 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 28 A 7.76 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.06 4.20 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 0.79 0.00 0.00 0.97 0.00 0.00 30 S 7.66 4.40 0.00 4.00 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 31 G 8.13 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 32 P 0.00 4.17 0.00 2.04 2.15 0.00 3.63 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 2.03 2.13 0.00 33 E 8.10 4.43 0.00 1.99 1.91 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 2.29 2.28 0.00 34 Q 8.22 4.65 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 35 G 7.98 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 36 G 8.31 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 0.00 0.00 0.00 0.00 37 I 8.38 5.11 1.82 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 1.19 0.68 0.90 0.00 0.00 38 V 9.03 4.18 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 0.74 0.00 0.00 -0.12 0.00 0.00 39 I 8.33 4.93 1.83 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 1.18 0.72 0.92 0.00 0.00 40 F 9.17 4.89 0.00 3.11 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 41 V 7.52 4.21 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 0.72 0.00 0.00 0.78 0.00 0.00 42 G 8.40 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 0.00 0.00 0.00 43 N 8.43 5.45 0.00 2.60 2.67 0.00 0.00 6.74 7.68 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 44 V 8.64 3.95 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 0.94 0.00 0.00 0.91 0.00 0.00 45 R 8.56 4.87 0.00 1.82 1.92 0.00 3.07 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 46 D 8.41 4.88 0.00 2.71 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 47 H 7.77 4.90 0.00 3.10 3.27 0.00 5.85 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.21 4.00 0.00 2.85 2.85 0.00 0.00 7.11 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 *52 D 7.81 4.69 0.00 2.75 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 53 V 7.80 4.83 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 1.01 0.00 0.00 0.94 0.00 0.00 54 T 8.85 5.18 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 1.28 0.00 0.00 55 R 9.05 4.92 0.00 2.09 1.87 0.00 2.74 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 56 L 8.08 5.35 0.00 1.38 1.27 0.92 0.71 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 57 F 9.36 5.01 0.00 2.91 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 58 Y 8.18 4.94 0.00 3.07 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 59 E 9.25 4.58 0.00 2.01 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 0.00 2.56 2.51 0.00 60 A 7.90 4.87 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 61 Y 8.43 4.42 0.00 2.90 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 62 P 0.00 3.93 0.00 1.88 1.93 0.00 2.86 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 1.94 2.19 0.00 63 P 0.00 4.04 0.00 2.09 2.01 0.00 2.41 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 64 M 7.92 3.97 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 65 V 7.44 3.45 1.70 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 0.54 0.00 0.00 0.56 0.00 0.00 66 I 7.71 3.52 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.18 0.76 0.00 0.00 67 R 7.92 3.80 0.00 1.96 2.06 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 68 T 7.84 3.84 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 1.20 0.00 0.00 69 L 8.08 3.97 0.00 1.74 1.70 0.88 1.06 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 70 M 8.46 3.99 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 71 S 8.30 4.12 0.00 3.92 4.07 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 72 I 7.84 3.69 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 1.53 0.50 0.93 0.00 0.00 73 I 8.06 3.80 2.04 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 1.50 0.84 0.95 0.00 0.00 74 G 8.04 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 0.00 0.00 0.00 75 R 7.73 3.95 0.00 1.96 2.02 0.00 3.18 0.00 0.00 3.50 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 76 C 8.27 4.30 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 4.12 0.00 2.15 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 0.00 2.51 2.50 0.00 78 D 7.89 4.17 0.00 2.83 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 79 K 7.58 4.20 0.00 1.93 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.61 7.81 80 A 6.83 4.65 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 81 E 8.56 3.99 0.00 1.93 1.88 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 2.30 2.38 0.00 82 G 8.92 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 0.00 0.00 0.00 83 V 7.58 4.37 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 0.88 0.00 0.00 0.95 0.00 0.00 84 R 9.15 4.91 0.00 1.74 1.79 0.00 3.11 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 85 V 8.97 5.05 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 0.80 0.00 0.00 0.95 0.00 0.00 86 A 9.19 5.10 1.24 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 0.00 0.00 0.00 87 V 9.24 4.92 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 1.05 0.00 0.00 1.00 0.00 0.00 88 A 9.35 5.39 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 89 H 9.56 5.21 0.00 3.25 3.25 0.00 5.53 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 9.00 5.89 0.00 1.79 1.69 0.00 3.18 0.00 0.00 3.20 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 91 T 8.28 4.32 4.12 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 0.51 0.00 0.00 92 G 8.49 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 0.00 0.00 0.00 93 E 8.38 4.71 0.00 1.91 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 2.19 2.25 0.00 94 L 8.98 4.96 0.00 1.67 1.46 0.83 0.81 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 95 Q 9.58 4.72 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 96 I 7.43 3.82 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.89 0.00 0.00 97 G 9.26 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 0.00 0.00 0.00 98 D 8.20 4.57 0.00 2.73 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 99 A 8.74 4.71 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 0.00 100 A 9.27 4.40 1.24 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 0.00 0.00 0.00 101 V 7.46 4.83 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 0.82 0.00 0.00 1.13 0.00 0.00 102 V 8.96 4.73 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 1.00 0.00 0.00 0.87 0.00 0.00 103 I 9.40 5.08 2.08 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 1.27 0.82 0.98 0.00 0.00 104 G 9.24 4.49 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 0.00 0.00 0.00 105 A 9.13 5.46 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 0.00 106 S 9.18 5.47 0.00 3.81 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 0.00 107 A 7.99 4.84 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 0.00 108 P 0.00 4.58 0.00 2.05 2.04 0.00 3.83 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 2.13 1.96 0.00 109 H 8.00 5.11 0.00 3.34 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.70 3.89 0.00 2.36 2.33 0.00 3.10 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 111 A 8.20 4.09 1.37 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 0.00 0.00 0.00 112 E 8.29 4.05 0.00 2.12 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 2.43 2.47 0.00 113 A 7.68 3.97 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 0.00 114 F 8.45 3.97 0.00 3.25 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 0.00 115 D 8.30 4.41 0.00 2.93 2.76 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 0.00 116 A 8.32 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 0.00 117 A 8.08 3.92 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 0.00 118 R 8.17 3.69 0.00 2.04 1.95 0.00 3.05 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 119 M 8.35 3.96 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 120 C 8.20 4.06 0.00 3.17 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 0.00 121 I 7.65 3.71 1.71 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 0.99 0.93 0.67 0.00 0.00 122 E 8.13 3.92 0.00 2.15 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 2.54 2.46 0.00 123 L 8.09 4.00 0.00 1.70 1.72 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.03 3.98 0.00 1.95 1.92 1.04 0.71 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 0.00 125 K 7.95 4.18 0.00 1.80 1.88 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.62 7.81 126 Q 7.88 4.27 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.40 0.00 127 E 8.16 4.39 0.00 2.10 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 2.25 2.29 0.00 128 V 8.05 4.14 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 0.87 0.00 0.00 0.97 0.00 0.00 129 P 0.00 4.70 0.00 2.41 2.23 0.00 3.78 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 130 I 8.32 5.19 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 0.98 0.00 0.00 131 W 9.95 4.40 0.00 3.49 3.32 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 0.00 132 K 8.25 5.15 0.00 1.76 1.56 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.40 7.81 133 K 9.05 4.55 0.00 1.26 1.86 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.47 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.17 1.18 7.81 134 E 8.75 5.18 0.00 1.88 1.88 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 2.30 2.38 0.00 135 F 9.44 4.82 0.00 2.87 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 0.00 136 S 8.76 4.43 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.