NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3888 8.4449 116.7616 55.1689 31.5020 175.4550 3 L 3.9623 8.3765 122.1744 54.4204 42.1390 172.4923 4 V 4.3936 8.5715 117.4705 60.5148 33.1873 175.6450 5 F 4.6307 7.7178 114.3141 55.7226 42.6726 173.9713 6 D 4.9955 8.3930 123.9649 51.2266 43.1854 177.1183 7 K 3.7758 8.5599 119.9315 60.0037 31.8907 178.2924 8 D 4.4263 8.1534 118.4139 57.2250 40.9580 178.5780 9 G 3.8573 9.1585 106.6237 48.0623 0.0000 175.4102 10 L 3.2982 8.1742 123.4190 57.5369 41.9142 179.1520 11 S 4.0907 7.9649 114.5198 61.3368 62.6946 176.6363 12 A 3.9838 7.9379 123.4716 55.4675 17.7482 179.1163 13 Y 4.3296 8.4618 118.5311 60.7849 38.8040 178.1424 14 L 3.8674 8.3709 122.8942 58.4403 41.5111 179.9860 15 E 4.1254 7.7764 116.8017 60.8332 29.6329 180.5245 16 E 4.2514 7.8788 118.8060 59.3337 29.9030 178.5667 17 V 3.7301 8.0299 120.2085 65.5170 33.2661 177.1285 *18 F 4.7928 8.1727 117.2358 54.2136 38.1843 175.7863 19 P 4.4924 0.0000 0.0000 65.4347 32.1618 178.8438 20 Q 4.0904 8.5137 118.9109 58.8767 28.3096 183.7937 21 I 4.2620 7.1140 117.8999 59.1503 34.4437 178.7709 22 Q 4.2065 7.7325 121.3710 55.8163 29.1760 178.2098 23 G 3.9629 8.8002 110.1573 45.4332 0.0000 173.5467 24 E 4.1092 7.9679 122.1554 56.9836 31.2281 175.8076 25 F 5.6296 8.0011 116.6272 55.5926 41.7297 175.1576 26 S 4.7971 9.1810 117.3727 56.5891 66.2900 173.6153 27 I 4.1542 8.3614 123.0744 61.2475 36.9545 175.7206 28 D 4.4839 9.4906 128.3844 56.6416 41.3233 176.9654 29 A 4.7039 7.4984 119.6307 50.5839 22.1890 174.4739 30 L 5.0618 8.1571 121.5260 53.4644 45.4839 175.2727 31 A 4.5361 8.8751 128.3530 51.4574 22.6327 178.0063 32 K 3.9007 8.9257 121.3705 57.6801 31.7005 178.0789 33 G 4.4184 8.2250 106.6295 45.9110 0.0000 172.2938 34 E 5.3821 8.2968 117.0633 54.6322 34.4376 177.7020 35 I 5.1368 8.7361 122.2778 59.2272 42.1731 174.0314 36 T 5.8527 8.7409 123.5928 60.7882 72.7006 172.8287 *38 R 4.4827 8.2260 121.7563 56.3707 32.0409 173.5758 39 L 4.8366 9.0490 128.4782 53.5341 44.1400 175.2068 40 N 4.7812 8.8881 125.7610 52.5019 38.6340 176.5174 41 V 3.6649 8.9385 127.5498 65.4091 31.7664 178.9628 42 Q 4.0757 8.0673 121.5147 60.5146 27.6595 183.4154 43 E 4.0199 7.7440 119.6889 59.0969 29.6721 178.7433 44 R 3.8905 7.3838 116.1529 57.2782 31.2520 176.4359 45 H 4.0322 7.3669 113.1191 56.7277 26.5810 174.5691 46 L 4.3281 7.5161 119.9743 54.2745 43.4844 178.5921 47 R 4.1177 8.3197 119.2149 55.5618 29.9579 175.4344 48 P 4.4523 0.0000 0.0000 64.4831 31.7647 176.5234 49 G 3.9693 8.7894 107.9551 46.2918 0.0000 173.6271 50 G 4.2150 7.4860 107.2337 43.4957 0.0000 173.4542 51 T 4.7533 7.8907 109.1411 58.8261 71.8187 174.0466 52 V 3.5976 8.3691 122.6586 63.4620 31.9229 176.1006 53 S 4.4626 8.4247 120.8664 57.1445 64.3046 174.3225 54 G 3.8056 8.6230 110.0634 48.5213 0.0000 173.0305 55 P 4.4808 0.0000 0.0000 65.4258 31.5207 179.5634 56 S 4.6134 7.9815 112.1435 58.9593 62.3160 176.1526 *58 F 4.4376 8.3157 123.5475 58.2810 41.0551 176.6029 59 A 4.1451 8.6542 122.4515 55.1841 18.1286 179.2409 60 L 3.5790 8.4207 118.7229 58.1784 42.2724 179.0003 61 A 3.8644 7.8225 120.0236 55.1978 18.3604 178.9427 62 D 4.1786 8.0726 117.0895 57.4568 41.3106 178.8507 63 V 3.6206 7.9865 120.1005 64.6662 31.3574 178.5319 64 S 3.9748 7.8895 115.7698 61.5408 62.6966 176.9168 65 V 3.5975 7.6226 120.3696 65.8831 31.2234 177.3647 66 Y 3.5966 7.9858 119.1701 60.5484 38.6080 177.7091 67 A 3.7083 8.2896 122.0426 55.3394 18.2480 179.4263 68 L 3.9457 7.5757 118.0233 57.8713 42.1311 179.3711 69 V 3.5505 7.7344 118.4400 65.9355 31.4562 177.8374 70 L 3.8527 7.7987 118.8885 57.7794 41.4420 179.1143 71 A 4.0341 8.0718 120.9782 55.8373 17.9821 179.2139 72 H 4.3724 7.7064 111.1205 58.1606 29.2971 177.4306 73 L 4.2879 7.9076 119.7938 56.0093 40.7414 176.7842 74 G 3.8212 8.8551 107.1008 44.7388 0.0000 174.5035 75 R 4.3118 8.2494 117.6294 59.2889 29.6567 174.3731 76 E 4.0614 8.3913 113.0649 58.7734 29.7582 179.2589 77 A 3.9252 7.1708 125.3074 53.3615 18.7373 179.2747 78 L 4.6477 8.2841 126.2226 53.2597 40.0790 172.7684 79 A 4.6888 7.7315 124.6408 51.9056 20.0010 177.4215 80 V 4.5636 8.6261 121.1692 60.9688 34.8062 175.0102 81 T 3.8172 8.8558 124.9665 64.3133 68.1258 173.8136 82 T 4.4843 8.6248 116.5303 62.2644 71.0640 174.0118 83 N 5.1330 7.7848 117.5292 51.9340 42.4577 173.6146 84 A 4.9233 8.2368 124.3342 50.5093 22.5988 175.7976 85 S 4.7741 9.0927 116.5607 56.5172 66.7388 173.2216 86 L 4.9677 8.2718 120.9993 53.2889 45.6262 175.0453 87 D 4.7263 8.9816 123.9912 52.5034 43.1409 175.4129 88 F 5.0156 8.4749 121.6355 55.9056 41.2527 175.5054 *90 R 4.1992 8.4933 122.3067 56.2366 31.3520 176.3984 91 K 4.0470 8.6566 124.0887 54.0748 32.2075 174.7622 92 P 4.5033 0.0000 0.0000 61.2116 32.1767 175.6817 93 E 4.1229 8.9989 123.0489 55.4580 30.1493 176.3371 94 S 4.3958 8.0132 120.6666 59.2744 62.8909 174.7859 95 G 4.0250 8.9913 115.2744 45.4246 0.0000 173.0538 96 R 4.5804 7.2869 118.1164 54.1580 31.9474 176.0783 97 D 4.6819 8.4887 121.0538 54.8268 42.4804 174.8176 98 L 5.0933 8.4645 122.8226 53.6161 44.3632 175.0184 99 L 5.0708 9.4489 125.9624 52.8771 45.1070 175.6058 100 G 4.2638 8.7917 110.2594 44.7836 0.0000 172.3190 101 Q 4.9458 9.5651 127.4213 54.4263 30.1339 174.7304 102 A 5.2741 9.1315 127.3105 49.8354 22.0460 175.0775 103 R 5.1385 8.9830 118.2332 54.2320 33.1717 174.1625 104 L 4.7465 8.2979 122.8556 54.0218 42.6380 175.8050 105 L 4.6153 8.8605 126.1078 55.4442 43.9316 177.0210 106 K 4.5413 7.7940 118.5320 54.7275 35.9512 175.2612 107 L 5.0030 8.5511 128.0002 53.5706 42.2000 175.4996 108 G 4.1150 8.8863 114.9370 43.2554 0.0000 171.9956 109 R 4.0465 8.7224 117.5105 59.0818 30.0982 177.7522 110 T 4.8624 7.5640 101.6820 61.0180 71.1653 173.6933 111 L 5.1620 7.8425 124.0989 53.6285 45.8153 174.1571 112 A 5.2935 8.9285 127.4616 50.2777 22.3995 175.3188 113 V 4.7095 8.8130 119.8098 61.3014 35.1671 174.5364 114 G 4.6539 8.8690 113.6056 44.4853 0.0000 170.5503 115 D 5.3708 8.5605 120.0067 51.5684 43.5186 174.3474 116 I 4.9178 8.4143 117.2206 59.9029 41.9410 173.0578 117 L 5.0528 8.9119 128.6860 52.9203 44.6371 175.2104 118 L 5.2356 8.6100 122.2819 52.9819 44.8468 175.5383 119 F 5.1540 9.1823 121.4765 55.4453 43.0624 174.5243 120 S 4.7061 8.8984 119.4580 58.2882 63.2091 173.7979 121 E 3.8041 8.8266 127.2220 57.4012 29.9653 177.3775 122 G 3.9779 8.6736 115.9208 46.1702 0.0000 174.1853 *124 E 4.2346 8.0834 119.4426 55.5980 31.6145 176.6503 125 A 4.3097 8.0373 122.1177 50.7008 18.9173 175.3642 126 P 4.2192 0.0000 0.0000 62.8692 32.0210 177.0201 127 V 3.9915 8.2604 114.2876 64.0942 32.3612 176.0577 128 A 4.8737 7.5055 119.8777 50.6982 22.8575 175.2204 129 R 5.0079 8.4190 114.5908 54.7456 33.4835 174.2747 130 S 4.8853 8.7931 113.4263 57.6010 66.6268 173.1513 131 T 5.1536 8.1503 121.5037 61.1048 72.2389 172.8443 *133 T 4.6106 8.1839 116.7320 64.2911 70.2018 173.1209 134 Y 5.2952 8.9849 121.9283 56.2339 42.5829 174.4919 135 S 5.2477 9.0786 116.3246 56.8594 66.1209 173.1472 136 I 4.7732 8.2317 123.1680 59.0495 38.5070 174.1640 137 P 4.4937 0.0000 0.0000 62.1561 32.1437 175.0507 138 P 4.4144 0.0000 0.0000 61.8649 30.6115 175.9937 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 E 8.44 4.39 0.00 2.01 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 2.13 1.91 0.00 3 L 8.38 3.96 0.00 1.69 1.74 0.96 0.40 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 4 V 8.57 4.39 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 0.69 0.00 0.00 0.95 0.00 0.00 5 F 7.72 4.63 0.00 3.14 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 6 D 8.39 5.00 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 7 K 8.56 3.78 0.00 1.85 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.55 7.81 8 D 8.15 4.43 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 9 G 9.16 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 10 L 8.17 3.30 0.00 1.42 1.49 0.20 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.96 4.09 0.00 4.06 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 12 A 7.94 3.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.46 4.33 0.00 3.08 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 14 L 8.37 3.87 0.00 1.83 1.66 0.84 0.74 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 15 E 7.78 4.13 0.00 2.04 1.87 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 2.26 2.19 0.00 16 E 7.88 4.25 0.00 2.07 2.25 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 2.39 2.39 0.00 17 V 8.03 3.73 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 0.85 0.00 0.00 0.10 0.00 0.00 *18 F 8.17 4.79 0.00 2.15 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 0.00 0.00 0.00 19 P 0.00 4.49 0.00 2.04 2.19 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.32 0.00 20 Q 8.51 4.09 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.62 0.00 0.00 0.00 0.00 0.00 2.29 1.97 0.00 21 I 7.11 4.26 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 1.16 1.12 0.91 0.00 0.00 22 Q 7.73 4.21 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.44 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 23 G 8.80 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 24 E 7.97 4.11 0.00 1.90 1.56 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 1.47 2.03 0.00 25 F 8.00 5.63 0.00 2.98 2.87 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 26 S 9.18 4.80 0.00 3.82 3.80 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 27 I 8.36 4.15 1.87 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 1.33 0.54 0.93 0.00 0.00 28 D 9.49 4.48 0.00 2.75 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 29 A 7.50 4.70 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 30 L 8.16 5.06 0.00 1.52 1.48 0.89 0.94 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 31 A 8.88 4.54 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 32 K 8.93 3.90 0.00 1.78 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.05 7.81 33 G 8.23 4.42 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 0.00 0.00 0.00 34 E 8.30 5.38 0.00 1.59 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 35 I 8.74 5.14 1.85 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 1.22 1.69 0.95 0.00 0.00 36 T 8.74 5.85 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 1.25 0.00 0.00 *38 R 8.23 4.48 0.00 2.08 2.05 0.00 3.17 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 39 L 9.05 4.84 0.00 1.91 1.73 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.89 4.78 0.00 2.63 2.73 0.00 0.00 6.22 8.53 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 41 V 8.94 3.66 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 0.89 0.00 0.00 0.95 0.00 0.00 42 Q 8.07 4.08 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.67 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 43 E 7.74 4.02 0.00 1.94 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 2.27 2.57 0.00 44 R 7.38 3.89 0.00 2.01 1.95 0.00 3.50 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 45 H 7.37 4.03 0.00 3.27 3.30 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.52 4.33 0.00 1.61 1.58 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.32 4.12 0.00 1.73 1.82 0.00 3.27 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.24 0.00 48 P 0.00 4.45 0.00 2.03 2.03 0.00 3.76 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 2.03 2.10 0.00 49 G 8.79 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 50 G 7.49 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 0.00 0.00 0.00 0.00 51 T 7.89 4.75 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 1.30 0.00 0.00 52 V 8.37 3.60 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 0.88 0.00 0.00 0.94 0.00 0.00 53 S 8.42 4.46 0.00 3.99 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 54 G 8.62 3.81 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 0.00 0.00 0.00 55 P 0.00 4.48 0.00 2.21 2.13 0.00 3.52 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 2.10 2.10 0.00 56 S 7.98 4.61 0.00 4.11 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 *58 F 8.32 4.44 0.00 3.20 3.37 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 59 A 8.65 4.15 1.71 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 0.00 0.00 60 L 8.42 3.58 0.00 2.15 1.79 1.07 1.51 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 61 A 7.82 3.86 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.07 4.18 0.00 2.23 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.62 1.67 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 0.05 0.00 0.00 0.77 0.00 0.00 64 S 7.89 3.97 0.00 3.99 3.92 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 65 V 7.62 3.60 2.28 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 1.15 0.00 0.00 1.01 0.00 0.00 66 Y 7.99 3.60 0.00 3.03 3.05 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 67 A 8.29 3.71 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 68 L 7.58 3.95 0.00 1.93 1.77 0.94 0.92 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 69 V 7.73 3.55 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 0.85 0.00 0.00 0.72 0.00 0.00 70 L 7.80 3.85 0.00 1.54 1.58 0.54 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.07 4.03 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 72 H 7.71 4.37 0.00 3.13 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.91 4.29 0.00 1.64 1.73 0.92 1.00 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 74 G 8.86 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 75 R 8.25 4.31 0.00 1.84 1.86 0.00 3.18 0.00 0.00 2.75 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.15 0.00 76 E 8.39 4.06 0.00 1.98 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 2.23 1.89 0.00 77 A 7.17 3.93 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 78 L 8.28 4.65 0.00 1.66 1.49 0.92 0.83 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 79 A 7.73 4.69 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 80 V 8.63 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 1.08 0.00 0.00 1.03 0.00 0.00 81 T 8.86 3.82 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 82 T 8.62 4.48 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 1.28 0.00 0.00 83 N 7.78 5.13 0.00 2.65 2.59 0.00 0.00 6.68 7.96 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 84 A 8.24 4.92 1.31 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 0.00 0.00 85 S 9.09 4.77 0.00 3.80 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 86 L 8.27 4.97 0.00 1.28 0.71 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.98 4.73 0.00 2.38 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 5.02 0.00 2.96 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 *90 R 8.49 4.20 0.00 1.74 1.93 0.00 3.24 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 91 K 8.66 4.05 0.00 1.77 1.62 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.04 7.81 92 P 0.00 4.50 0.00 2.05 2.05 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 93 E 9.00 4.12 0.00 2.05 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 2.32 2.30 0.00 94 S 8.01 4.40 0.00 3.89 3.73 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 95 G 8.99 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 0.00 0.00 0.00 96 R 7.29 4.58 0.00 1.93 1.88 0.00 3.52 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 97 D 8.49 4.68 0.00 2.84 2.62 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 98 L 8.46 5.09 0.00 1.86 1.60 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.45 5.07 0.00 1.74 1.63 0.93 0.77 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 0.00 100 G 8.79 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 0.00 0.00 0.00 0.00 101 Q 9.57 4.95 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 102 A 9.13 5.27 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 0.00 103 R 8.98 5.14 0.00 1.85 2.02 0.00 2.76 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 104 L 8.30 4.75 0.00 1.66 1.56 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.86 4.62 0.00 1.54 1.68 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.79 4.54 0.00 1.77 1.58 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.42 7.81 107 L 8.55 5.00 0.00 1.55 1.44 0.90 0.93 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 0.00 108 G 8.89 4.11 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 0.00 109 R 8.72 4.05 0.00 1.82 2.03 0.00 3.15 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 110 T 7.56 4.86 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 1.22 0.00 0.00 111 L 7.84 5.16 0.00 1.76 1.51 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.93 5.29 1.31 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 0.00 0.00 113 V 8.81 4.71 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 1.03 0.00 0.00 0.95 0.00 0.00 114 G 8.87 4.65 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 0.00 0.00 0.00 115 D 8.56 5.37 0.00 2.90 2.75 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 0.00 0.00 0.00 116 I 8.41 4.92 1.84 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 1.21 0.90 0.00 0.00 117 L 8.91 5.05 0.00 1.56 0.94 1.00 0.31 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 0.00 118 L 8.61 5.24 0.00 1.58 1.50 0.87 0.97 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 0.00 119 F 9.18 5.15 0.00 2.95 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 0.00 120 S 8.90 4.71 0.00 3.82 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 0.00 121 E 8.83 3.80 0.00 2.00 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 2.33 2.29 0.00 122 G 8.67 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 0.00 0.00 0.00 *124 E 8.08 4.23 0.00 2.02 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 2.14 2.30 0.00 125 A 8.04 4.31 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 0.00 126 P 0.00 4.22 0.00 1.86 1.23 0.00 3.81 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 1.90 1.91 0.00 127 V 8.26 3.99 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.95 0.00 0.00 128 A 7.51 4.87 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 0.00 129 R 8.42 5.01 0.00 1.86 1.87 0.00 2.70 0.00 0.00 3.03 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 130 S 8.79 4.89 0.00 3.73 3.55 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 0.00 131 T 8.15 5.15 4.19 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 1.25 0.00 0.00 *133 T 8.18 4.61 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 1.27 0.00 0.00 134 Y 8.98 5.30 0.00 2.97 2.91 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 0.00 135 S 9.08 5.25 0.00 3.91 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 0.00 136 I 8.23 4.77 1.91 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 1.27 0.74 0.94 0.00 0.00 137 P 0.00 4.49 0.00 2.07 2.01 0.00 3.78 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 2.14 2.14 0.00 138 P 0.00 4.41 0.00 2.08 1.94 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.