NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1718 8.0249 120.7873 60.9025 39.1785 174.6933 3 Q 4.4572 8.3261 123.5401 52.4376 32.5112 173.0950 4 S 4.9532 9.1913 116.3384 56.7583 67.2724 172.8158 5 Q 4.6929 8.5817 120.5583 54.4684 30.4514 175.9390 6 I 4.4206 8.1756 111.0479 60.2036 38.9019 174.7130 7 N 4.8707 7.8223 120.2375 51.1020 40.7785 174.7755 8 R 3.9873 8.5868 123.6235 59.0800 29.3979 178.3295 9 N 4.3229 8.7471 117.9285 56.0487 38.3973 177.2372 10 I 3.6819 7.4588 121.3517 64.6347 37.1843 178.6699 11 R 4.0562 7.9037 118.0536 58.8396 30.1212 178.8971 12 L 3.9980 8.1958 119.3450 57.7645 41.6558 179.1551 13 D 4.3980 8.4773 119.3106 56.9790 40.6218 178.4476 14 L 3.9400 8.0009 120.9107 58.1136 42.0325 178.8937 15 A 4.0903 8.2331 120.9441 55.3008 18.2426 179.3387 16 D 4.2946 8.1299 116.9616 57.4394 40.8907 178.9104 17 A 3.9911 7.9890 121.1474 55.0305 18.3219 179.6378 18 I 3.6530 8.0154 118.5924 64.7533 37.2708 178.7445 19 L 4.0460 8.1562 119.7646 57.5276 41.3069 179.3460 20 L 3.9577 8.1444 120.6120 58.1380 42.0528 178.9925 21 S 4.0437 8.1683 113.1826 61.0543 62.2892 175.9812 22 K 3.8131 8.4298 122.6003 59.5245 31.9943 178.7013 23 A 3.9511 8.0081 120.9712 55.0954 18.0676 179.7986 24 K 3.9786 8.1929 116.4025 58.9974 32.1984 178.8204 25 K 4.1839 7.9654 116.1701 55.3373 32.9519 175.7864 26 D 4.2923 7.6392 117.8132 55.1902 39.9495 173.0051 27 L 4.7660 7.7838 117.0399 53.4154 44.0505 177.3008 28 S 4.6631 8.5257 116.0587 56.7853 66.4441 175.4655 29 F 4.2380 8.3702 121.4227 60.7129 38.6765 177.7449 30 A 4.0816 8.1474 120.2696 55.1976 18.0283 179.3173 31 E 4.0333 8.2302 115.0501 59.3639 29.8956 178.9859 32 I 3.8202 7.7835 120.0315 64.1162 37.5103 177.7274 33 A 4.2695 8.1785 121.1002 52.9025 18.5249 177.0292 34 D 4.4142 7.2622 117.1322 56.2773 41.4768 177.0238 35 G 4.0286 9.0136 114.4614 45.6875 0.0000 174.0699 36 T 4.0208 7.6898 108.9800 62.3270 69.2717 176.2090 37 G 3.9585 8.4431 109.2072 45.2389 0.0000 172.8201 38 L 4.7622 7.5959 118.1047 51.8985 45.1599 176.9638 39 A 4.2078 8.2598 122.7636 51.8593 20.3239 178.4747 40 E 3.9282 8.8816 122.7106 59.5588 29.7076 179.4417 41 A 3.9157 7.9729 120.2174 54.9074 18.4624 179.3201 42 F 3.9058 8.0282 118.7855 61.2995 39.6464 177.4686 43 V 3.6181 8.0335 117.8887 66.3681 31.3446 178.0724 44 T 3.7694 8.1298 115.3213 66.6253 68.2129 176.4158 45 A 3.8474 7.7849 122.3568 54.9552 18.2968 179.5806 46 A 4.1737 7.6383 120.5302 54.8356 18.2437 179.6632 47 L 4.0039 7.7422 116.2634 57.7473 41.7183 178.8214 48 L 4.5411 7.5494 116.3534 54.3874 41.7193 177.4949 49 G 3.9124 8.0805 106.6461 45.6770 0.0000 174.4684 50 Q 4.5106 8.1912 116.1262 55.4276 29.9965 174.7419 51 Q 4.6067 7.4372 115.9713 54.5484 33.9085 172.8056 52 A 4.9389 8.4370 121.6817 50.3840 21.0931 176.4494 53 L 4.5992 8.6894 122.3521 53.1205 43.5303 175.3708 54 P 4.3748 0.0000 0.0000 62.2934 32.3039 177.2600 55 A 4.0269 8.7261 122.5098 55.6671 18.2160 180.0693 56 D 4.2699 8.0642 116.5468 57.4711 40.9528 178.6896 57 A 4.0318 8.0285 120.6187 54.9959 18.4309 179.3755 58 A 3.9526 8.2091 119.3607 55.4208 18.4754 180.0302 59 R 3.8841 8.2526 116.8031 59.2154 30.1963 179.0995 60 L 3.9484 7.9608 120.0595 58.4263 42.2052 179.5691 61 V 3.8286 8.1485 112.5623 64.1263 31.3512 178.8658 62 G 3.6208 8.3334 105.6093 47.6098 0.0000 175.7319 63 A 4.0030 8.2251 123.1361 54.9176 18.2075 179.8128 64 K 3.9514 7.8373 115.8055 58.9756 32.2249 178.5423 65 L 4.4094 7.7737 115.8593 53.3897 42.6491 175.7957 66 D 4.3903 7.6206 116.7015 55.2986 38.4523 173.9889 67 L 4.3961 7.9664 118.1881 53.8544 43.2294 177.7191 68 D 4.6887 8.2524 121.3618 52.9070 41.8358 177.3509 69 E 4.0006 8.5657 119.0324 59.6879 29.3462 179.3796 70 D 4.4170 8.0540 118.4896 57.2660 40.9030 178.8977 71 S 4.1096 8.5901 116.0133 61.6137 62.6495 176.5040 72 I 3.7074 7.5681 121.3677 64.4364 37.1371 177.8963 73 L 4.2520 8.0387 121.0054 58.2143 41.7177 179.0842 74 L 4.0613 7.9340 118.1726 57.6218 41.7709 179.1339 75 L 4.1513 8.1622 118.9166 56.7354 42.5537 177.3003 76 Q 4.9868 7.4333 119.2136 53.5164 27.3179 174.6299 *78 I 3.9027 7.3411 119.5814 60.3053 38.8267 174.3829 79 P 4.6558 0.0000 0.0000 61.9510 32.2639 176.0822 80 L 4.2665 8.0717 121.4957 53.8802 40.9566 176.4712 81 R 4.1559 8.1080 124.7679 55.6265 30.9251 175.0581 82 G 3.0601 8.3495 106.7775 44.8542 0.0000 173.5324 83 C 4.3458 8.2230 122.0177 58.0503 30.6806 173.9802 84 I 4.0788 7.4375 122.2906 60.3480 37.6049 174.7243 85 D 4.4942 8.9344 125.7627 57.0685 41.3754 176.6534 86 D 4.6248 7.2372 115.6885 53.0497 41.4155 173.8053 87 R 4.2544 8.2719 126.8643 56.4291 29.1539 176.8471 88 I 4.1133 7.1540 115.7959 58.3733 39.2646 174.0421 89 P 4.4767 0.0000 0.0000 62.8415 31.8665 176.3812 90 T 4.2227 8.2677 110.5778 62.9883 69.8664 175.0069 91 D 4.5211 7.9629 121.7999 53.0903 42.1767 173.7804 92 P 4.4844 0.0000 0.0000 66.3279 32.0423 178.8020 93 T 3.7939 7.7947 109.4949 65.1788 68.1721 175.0516 *95 Y 4.4178 7.8600 124.9538 57.7102 40.4523 177.3833 96 R 3.9040 8.0493 117.9181 59.0758 30.0287 178.7065 97 F 4.2486 7.3915 115.8138 60.5845 39.1926 176.6360 98 Y 4.1302 7.9788 118.7870 60.2183 38.7820 178.1147 99 E 4.0962 7.9135 122.2315 55.7481 29.4883 178.5437 *101 L 4.2156 7.9274 118.9886 54.6641 43.8776 179.6806 102 Q 3.8259 7.5268 116.4340 58.4124 28.8321 177.7520 103 V 3.6906 7.7859 116.7799 64.4698 32.0621 176.1152 104 Y 4.6756 7.6675 114.3938 57.4659 39.0434 177.4434 105 G 3.6114 8.4141 109.7881 48.2597 0.0000 176.4707 106 T 3.9707 7.8380 112.2582 64.5239 68.7974 176.6901 107 T 3.9127 7.8882 118.1815 66.4151 68.5151 176.3305 108 L 3.9936 8.4368 121.3519 57.6293 41.5870 179.3656 109 K 3.7621 8.1737 119.1904 59.6193 32.1302 178.6226 110 A 4.0243 8.1276 120.8552 55.2603 18.2681 179.6053 111 L 4.0339 8.4168 117.8756 57.5086 41.6317 179.7846 112 V 3.8094 8.1550 118.8011 66.4862 31.3484 177.8751 113 H 4.9047 8.3386 117.4480 58.4314 28.2882 177.4874 114 E 3.9549 8.2732 120.4360 58.9920 29.5594 178.4455 115 K 4.0119 8.1531 117.3862 57.6324 32.4166 177.8330 116 F 4.2339 9.3872 115.7432 60.2054 41.2338 175.9186 117 G 4.1549 7.2104 102.9673 44.4264 0.0000 171.8773 118 D 4.6701 8.4231 119.5099 54.4839 42.2745 176.0218 119 G 3.9919 7.9142 111.1904 45.2761 0.0000 172.2682 120 I 4.7751 8.1659 114.3681 59.1931 41.7525 174.6799 121 I 4.5905 8.1079 123.6003 59.8228 37.9327 175.9655 122 S 4.2066 9.1096 123.1267 58.2992 62.8898 173.7033 123 A 4.0032 8.4311 127.2336 51.8379 19.3360 176.6952 124 I 4.3055 7.9594 117.0216 63.6520 39.2351 176.7584 125 N 4.7833 7.8265 122.7564 52.1054 37.8487 172.1814 126 F 5.3835 8.0649 122.9756 56.5426 42.7612 172.5599 127 K 4.5940 8.1975 123.8625 55.0668 36.2410 174.8488 128 L 5.6179 8.2849 120.1607 53.3462 43.8340 174.9118 129 D 4.7671 8.3205 117.7613 52.2189 43.0831 173.8250 130 V 4.7458 8.3345 119.4511 61.2049 33.7524 174.6789 131 K 4.7334 9.1528 127.3373 54.4509 35.5499 174.8395 132 K 4.9506 8.5750 124.3619 55.1720 33.6547 175.7493 133 V 4.7103 8.6934 119.2363 59.1241 36.3882 174.9136 134 A 4.5178 8.5888 123.7557 52.1883 19.3408 176.5701 135 D 4.6419 8.7574 120.2136 52.3429 42.2155 176.0040 136 P 4.2039 0.0000 0.0000 65.6170 31.4277 176.9120 137 E 4.2136 8.6737 115.7430 55.8317 29.7653 176.3040 138 G 4.0753 8.5871 107.8403 45.4331 0.0000 175.9400 139 G 3.8571 9.3445 108.1116 44.2458 0.0000 171.7941 140 E 5.1661 8.3378 117.1626 54.8396 33.8348 175.3178 141 R 4.8189 9.3843 120.2816 54.4139 34.6170 174.0386 142 A 5.0747 8.5798 123.0186 50.4681 21.0772 176.5484 143 V 4.2239 8.7238 122.9127 61.3865 33.5355 174.2732 144 I 4.9170 8.3990 129.1870 59.9674 39.0676 175.2941 145 T 4.5929 8.8396 124.1773 61.7016 71.0362 173.1352 146 L 4.7249 8.5724 126.4682 53.1349 43.6303 175.5929 147 D 4.6428 8.6190 123.8832 52.4180 43.5295 174.3125 148 G 4.6814 8.5233 111.9957 43.7624 0.0000 170.8130 149 K 4.3262 8.8710 123.4587 56.1532 33.4934 175.4073 150 Y 4.7548 8.6735 128.3042 57.5303 40.2487 173.7934 151 L 4.6898 8.5509 127.3228 52.0459 44.2574 174.2585 152 P 4.5529 0.0000 0.0000 62.6923 32.5604 175.8516 153 T 4.5188 8.4797 118.9715 62.2695 69.8078 174.2029 154 K 4.6492 8.4908 125.3708 53.4476 35.5715 174.5811 155 P 4.4152 0.0000 0.0000 62.8209 31.9770 176.6554 156 F 4.5381 7.7316 114.4039 57.2142 37.9655 174.5108 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 I 8.02 4.17 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.33 4.46 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.19 4.95 0.00 3.91 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 5 Q 8.58 4.69 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 6 I 8.18 4.42 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 1.30 0.66 0.91 0.00 0.00 7 N 7.82 4.87 0.00 2.76 2.67 0.00 0.00 6.93 7.65 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 8 R 8.59 3.99 0.00 2.06 2.28 0.00 3.11 0.00 0.00 3.32 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.75 4.32 0.00 2.83 2.91 0.00 0.00 6.83 7.88 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 10 I 7.46 3.68 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 1.52 0.83 0.91 0.00 0.00 11 R 7.90 4.06 0.00 1.81 1.95 0.00 3.28 0.00 0.00 3.52 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 12 L 8.20 4.00 0.00 1.67 1.71 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.48 4.40 0.00 2.88 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 14 L 8.00 3.94 0.00 1.77 1.83 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.23 4.09 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 16 D 8.13 4.29 0.00 2.90 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 17 A 7.99 3.99 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 18 I 8.02 3.65 2.06 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 1.53 0.74 0.95 0.00 0.00 19 L 8.16 4.05 0.00 1.84 1.74 0.99 0.58 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 20 L 8.14 3.96 0.00 1.75 1.80 0.92 0.69 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 21 S 8.17 4.04 0.00 3.93 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 22 K 8.43 3.81 0.00 1.79 1.90 0.00 1.11 0.00 0.00 1.14 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.21 7.81 23 A 8.01 3.95 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 24 K 8.19 3.98 0.00 1.83 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 25 K 7.97 4.18 0.00 1.70 1.82 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.54 7.81 26 D 7.64 4.29 0.00 2.77 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 27 L 7.78 4.77 0.00 1.67 1.44 0.92 0.62 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 28 S 8.53 4.66 0.00 4.03 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 29 F 8.37 4.24 0.00 3.22 3.09 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 0.00 0.00 0.00 30 A 8.15 4.08 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 31 E 8.23 4.03 0.00 2.14 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 2.54 2.32 0.00 32 I 7.78 3.82 2.06 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.58 0.96 0.00 0.00 33 A 8.18 4.27 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 34 D 7.26 4.41 0.00 2.67 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 35 G 9.01 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 36 T 7.69 4.02 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 1.30 0.00 0.00 37 G 8.44 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 0.00 0.00 0.00 38 L 7.60 4.76 0.00 1.70 1.62 1.03 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.26 4.21 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 40 E 8.88 3.93 0.00 2.09 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 2.41 2.63 0.00 41 A 7.97 3.92 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 42 F 8.03 3.91 0.00 3.20 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 43 V 8.03 3.62 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 1.05 0.00 0.00 1.13 0.00 0.00 44 T 8.13 3.77 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 0.30 0.00 0.00 45 A 7.78 3.85 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 46 A 7.64 4.17 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 47 L 7.74 4.00 0.00 1.85 1.86 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.55 4.54 0.00 1.54 1.63 0.74 0.88 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 49 G 8.08 3.91 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 0.00 50 Q 8.19 4.51 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 51 Q 7.44 4.61 0.00 1.31 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.02 1.42 0.00 52 A 8.44 4.94 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 53 L 8.69 4.60 0.00 1.66 1.65 0.96 1.05 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 54 P 0.00 4.37 0.00 2.20 1.99 0.00 3.72 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 55 A 8.73 4.03 1.33 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 0.00 0.00 0.00 56 D 8.06 4.27 0.00 2.71 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 57 A 8.03 4.03 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 58 A 8.21 3.95 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 59 R 8.25 3.88 0.00 2.08 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 60 L 7.96 3.95 0.00 1.89 1.81 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.15 3.83 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 0.89 0.00 0.00 1.02 0.00 0.00 62 G 8.33 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 0.00 0.00 0.00 63 A 8.23 4.00 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 64 K 7.84 3.95 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.67 7.81 65 L 7.77 4.41 0.00 1.71 1.68 0.97 0.83 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 66 D 7.62 4.39 0.00 2.86 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 67 L 7.97 4.40 0.00 1.62 1.59 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.25 4.69 0.00 2.95 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 69 E 8.57 4.00 0.00 2.00 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 2.40 2.35 0.00 70 D 8.05 4.42 0.00 2.76 2.72 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 71 S 8.59 4.11 0.00 4.03 3.91 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 72 I 7.57 3.71 2.02 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 1.42 0.58 0.97 0.00 0.00 73 L 8.04 4.25 0.00 1.87 1.87 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.93 4.06 0.00 1.82 1.72 0.92 1.21 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 75 L 8.16 4.15 0.00 1.87 1.74 0.93 0.88 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 76 Q 7.43 4.99 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.39 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 *78 I 7.34 3.90 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 1.49 0.65 0.92 0.00 0.00 79 P 0.00 4.66 0.00 2.21 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 80 L 8.07 4.27 0.00 1.75 1.65 0.91 0.93 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 81 R 8.11 4.16 0.00 1.82 1.81 0.00 3.24 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 82 G 8.35 3.06 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 83 C 8.22 4.35 0.00 3.05 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 84 I 7.44 4.08 1.85 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 1.29 0.54 0.93 0.00 0.00 85 D 8.93 4.49 0.00 2.60 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 86 D 7.24 4.62 0.00 2.57 2.47 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 0.00 87 R 8.27 4.25 0.00 1.98 2.05 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.15 4.11 1.74 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.59 0.00 0.00 89 P 0.00 4.48 0.00 2.17 2.03 0.00 3.36 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 90 T 8.27 4.22 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 1.19 0.00 0.00 91 D 7.96 4.52 0.00 2.68 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 92 P 0.00 4.48 0.00 2.26 2.13 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.79 3.79 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 1.35 0.00 0.00 *95 Y 7.86 4.42 0.00 3.20 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 96 R 8.05 3.90 0.00 1.52 1.75 0.00 3.40 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 97 F 7.39 4.25 0.00 3.13 3.08 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 0.00 0.00 0.00 98 Y 7.98 4.13 0.00 2.94 2.66 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 99 E 7.91 4.10 0.00 1.90 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 2.28 2.36 0.00 *101 L 7.93 4.22 0.00 1.62 1.57 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.53 3.83 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 1.71 2.25 0.00 103 V 7.79 3.69 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 0.14 0.00 0.00 0.85 0.00 0.00 104 Y 7.67 4.68 0.00 3.01 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 0.00 105 G 8.41 3.61 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 0.00 106 T 7.84 3.97 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 1.21 0.00 0.00 107 T 7.89 3.91 4.63 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 1.33 0.00 0.00 108 L 8.44 3.99 0.00 1.83 1.73 0.95 0.78 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 0.00 109 K 8.17 3.76 0.00 1.82 2.00 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.45 7.81 110 A 8.13 4.02 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 0.00 111 L 8.42 4.03 0.00 1.71 1.75 0.94 0.69 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 0.00 112 V 8.15 3.81 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 1.08 0.00 0.00 0.91 0.00 0.00 113 H 8.34 4.90 0.00 3.25 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.27 3.95 0.00 2.04 1.98 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 0.00 2.29 2.33 0.00 115 K 8.15 4.01 0.00 1.63 1.25 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.53 7.81 116 F 9.39 4.23 0.00 2.48 1.45 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 0.00 117 G 7.21 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 0.00 118 D 8.42 4.67 0.00 2.79 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 0.00 119 G 7.91 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 0.00 0.00 0.00 120 I 8.17 4.78 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 1.18 1.06 0.92 0.00 0.00 121 I 8.11 4.59 1.82 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 0.92 0.00 0.00 122 S 9.11 4.21 0.00 3.91 3.98 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 0.00 0.00 0.00 0.00 123 A 8.43 4.00 0.98 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 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.96 4.31 1.87 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 1.15 0.97 0.93 0.00 0.00 125 N 7.83 4.78 0.00 2.80 2.75 0.00 0.00 6.52 7.71 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 0.00 126 F 8.06 5.38 0.00 3.16 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 0.00 127 K 8.20 4.59 0.00 1.63 1.67 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 1.13 7.81 128 L 8.28 5.62 0.00 1.72 1.42 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.32 4.77 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 0.00 130 V 8.33 4.75 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 0.91 0.00 0.00 131 K 9.15 4.73 0.00 1.67 1.66 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 132 K 8.58 4.95 0.00 1.78 1.71 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.47 7.81 133 V 8.69 4.71 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 0.67 0.00 0.00 0.99 0.00 0.00 134 A 8.59 4.52 1.23 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 0.00 0.00 0.00 135 D 8.76 4.64 0.00 2.68 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 0.00 136 P 0.00 4.20 0.00 2.08 2.12 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 137 E 8.67 4.21 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 2.32 2.40 0.00 138 G 8.59 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 139 G 9.34 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.34 5.17 0.00 1.81 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 2.21 2.33 0.00 141 R 9.38 4.82 0.00 1.67 1.77 0.00 3.22 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 1.53 1.55 0.00 142 A 8.58 5.07 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 0.00 143 V 8.72 4.22 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 1.06 0.00 0.00 0.94 0.00 0.00 144 I 8.40 4.92 1.99 0.00 0.00 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 1.42 0.84 0.99 0.00 0.00 145 T 8.84 4.59 4.43 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 0.00 0.00 0.00 1.18 0.00 0.00 146 L 8.57 4.72 0.00 1.63 1.94 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.62 4.64 0.00 2.63 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.52 4.68 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 0.00 0.00 0.00 149 K 8.87 4.33 0.00 1.93 1.71 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.45 7.81 150 Y 8.67 4.75 0.00 2.66 2.89 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 0.00 151 L 8.55 4.69 0.00 1.44 1.39 0.87 0.92 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 0.00 152 P 0.00 4.55 0.00 2.02 1.90 0.00 3.48 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 153 T 8.48 4.52 4.28 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 1.30 0.00 0.00 154 K 8.49 4.65 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.43 7.81 155 P 0.00 4.42 0.00 2.02 1.92 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 156 F 7.73 4.54 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.