NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0963 8.0129 117.9097 60.5508 33.4668 174.0812 6 L 5.0470 8.2031 116.5597 52.5598 43.4405 171.5922 7 T 4.3579 9.6714 116.0204 60.6263 71.1423 175.2153 8 G 4.4720 7.4360 114.3074 46.1975 0.0000 171.6748 9 V 5.0158 8.1669 115.2048 59.5089 33.6090 175.2447 10 A 5.0208 9.2740 126.0750 50.3277 22.3387 175.0787 11 T 5.1982 8.4285 109.1618 60.1403 72.4195 172.6803 12 D 4.7886 8.9937 121.4311 52.4989 45.1980 175.2777 13 K 4.6585 8.6286 123.0643 56.2910 34.0431 176.7616 14 S 4.8317 10.1002 115.5921 57.9776 64.5310 173.1005 15 E 5.2663 8.2242 117.9251 54.9403 32.2789 175.0651 16 A 4.8224 9.3481 123.3996 50.5953 21.8334 176.0239 17 K 4.9347 9.1805 122.3884 54.6042 34.5437 175.2620 18 V 4.7447 8.2469 127.6948 60.0937 34.0227 174.5883 19 T 4.7564 8.4250 121.7366 61.5842 71.3141 173.3883 20 V 4.3230 8.9160 126.4402 61.2372 33.5168 174.2972 21 L 4.8847 8.9564 128.5113 53.2479 44.2741 176.6030 22 G 4.1021 8.7564 109.4635 46.6345 0.0000 173.7390 23 I 4.4524 8.1963 120.0425 60.0039 38.5026 176.6616 24 S 4.4233 8.7779 121.0112 59.2343 63.5980 175.0435 25 D 4.6775 8.4217 126.5866 52.7877 39.5146 175.1902 26 K 4.6378 7.3597 122.1307 53.2612 35.9026 173.3173 27 P 4.2636 0.0000 0.0000 64.3970 31.8692 176.7823 28 G 4.1066 9.0698 110.7684 45.5841 0.0000 175.2885 29 E 4.2339 8.1347 119.2579 59.2293 29.5386 178.8521 30 A 4.1379 8.1054 120.2443 54.9348 18.4228 179.3403 31 A 4.1070 8.1064 119.1221 55.1410 18.4842 179.7359 32 K 3.9547 7.8248 115.7144 59.6507 32.3206 179.5605 33 V 3.4507 7.4388 117.1150 66.1648 31.4031 177.9875 34 F 4.2690 7.9170 116.9153 59.6745 38.7922 178.0489 35 R 3.8623 8.7702 119.0698 59.3200 29.6859 178.1170 36 A 4.1093 7.6739 119.0595 55.5432 18.8161 179.3873 37 L 4.0388 7.7867 116.5196 57.7389 41.4911 179.5104 38 A 4.1371 8.5169 121.1757 54.5377 19.1552 177.9698 39 D 4.7408 8.6290 121.8073 53.3941 38.3882 175.4706 40 A 4.5981 9.4479 134.6072 51.1452 17.8261 176.8966 41 E 3.6446 8.4413 116.9359 57.7916 27.0015 176.1425 42 I 4.2909 7.4730 117.9178 59.1257 38.3678 176.0203 43 N 4.4812 8.6273 124.8835 53.3949 39.4681 173.9821 44 I 4.5133 8.0187 117.3945 60.8506 40.7668 173.3371 45 D 4.5594 10.0063 123.3784 55.2780 42.3184 177.1906 46 M 4.3878 8.8782 114.9929 55.5676 34.1538 176.3902 47 V 5.0577 8.1478 120.8291 61.5443 35.4236 174.1335 48 L 4.6432 8.7719 126.9548 54.0732 46.0784 174.2274 49 Q 4.5266 8.4941 127.0784 56.2748 31.5607 172.1798 50 N 4.4790 9.2477 128.1107 54.4504 37.0865 177.3072 51 V 4.6693 8.6309 102.5535 58.7889 35.9484 175.2084 52 F 4.6155 8.8991 117.1449 56.9249 38.7038 174.6878 53 S 4.6248 8.6236 116.9427 56.5382 64.6930 175.4436 54 V 3.6204 8.4407 123.4949 66.2045 31.5462 177.2600 55 E 4.1359 8.2061 116.0016 59.5577 29.1517 177.7683 56 D 4.4114 8.1587 119.6736 54.1123 41.3369 178.3965 57 G 3.8411 8.2192 106.0569 45.7699 0.0000 173.1255 58 T 4.6764 7.2708 115.1826 61.0434 69.9536 173.0147 59 T 5.1148 8.9608 119.9780 60.4544 71.5037 171.7500 60 D 5.4558 8.6582 121.8184 52.4153 44.2671 175.9383 61 I 4.8080 8.5400 121.5175 59.9276 40.8659 174.5426 62 T 5.0433 8.7069 123.5093 61.7438 71.2876 173.4509 63 F 5.6120 8.5271 119.4115 55.6340 42.2247 173.3445 64 T 5.7971 9.4850 115.3674 61.1960 72.1046 173.1905 65 C 5.4242 8.5077 118.4726 56.1192 34.0810 171.2344 66 P 4.7575 0.0000 0.0000 62.6075 31.6004 177.9289 67 R 3.9959 9.1954 122.4757 59.6301 29.6928 179.2677 68 S 4.1623 8.1485 113.6743 61.8244 63.1716 175.8275 69 D 4.7825 8.2675 119.0782 54.4875 40.9341 178.7531 70 G 3.7227 7.7458 107.3753 48.0821 0.0000 175.8576 71 R 3.0144 7.7355 121.3507 58.5056 30.0204 178.3743 72 R 3.8665 7.8428 117.9355 58.8211 30.1321 178.1312 73 A 3.9878 8.2428 121.2346 55.3419 18.1290 178.7805 74 M 3.8583 7.7324 116.6533 59.1774 32.1529 178.0727 75 E 4.0502 7.8125 118.2375 59.7281 29.5619 179.4240 76 I 3.7129 7.7624 119.5302 64.3636 37.2421 178.0038 77 L 4.5988 7.9739 120.7037 57.0653 41.6796 179.8583 78 K 4.4843 8.9838 125.6653 58.9156 31.5632 183.5361 79 K 4.2839 8.3007 120.1929 59.7199 32.2202 178.9803 80 L 3.9001 7.5791 118.6738 57.0882 41.3715 179.2827 81 Q 3.8094 8.0334 117.8407 58.7756 28.3427 178.0177 82 V 3.8460 7.2822 117.9146 64.1312 31.8858 175.9247 83 Q 4.2948 7.7458 117.1033 55.9241 28.7002 176.3879 84 G 3.8452 7.8953 104.1527 46.4416 0.0000 175.2504 85 N 4.1275 7.2078 117.7530 55.0592 38.3427 175.0480 86 W 5.6705 6.8353 113.8184 53.9906 33.3037 174.9209 87 T 4.2888 8.6517 114.6263 64.5096 66.6248 174.0315 88 N 5.1457 7.9757 116.0017 52.0558 41.2018 172.3605 89 V 4.9550 8.3840 111.9027 59.6197 34.3998 175.4459 90 L 4.9200 9.1440 123.8996 53.1510 45.1781 174.9335 91 Y 5.2035 8.4234 122.0616 56.0442 41.9086 173.8099 92 D 4.3967 9.2881 126.4276 52.0571 44.3670 175.0508 93 D 5.1052 8.0288 127.3721 52.6711 40.2057 176.2079 94 Q 4.6582 8.1625 114.9631 56.6873 29.3946 175.3598 95 V 4.4110 7.9689 118.1825 61.0826 34.0209 175.1014 96 G 4.1259 9.7669 116.1946 44.3290 0.0000 171.8015 97 K 4.9308 8.7265 127.8956 55.2813 33.8474 175.3934 98 V 5.0241 9.0228 127.5359 61.4304 34.8074 174.4117 99 S 5.2744 9.2128 121.8214 57.0405 67.7985 172.4841 100 L 5.0087 9.0459 126.1225 53.4159 44.3109 174.9973 101 V 4.6246 8.0989 125.5135 61.5391 34.1710 174.8093 102 G 3.8183 8.1013 112.7930 47.1961 0.0000 170.6972 103 A 4.5081 8.7471 121.9710 53.7425 20.9131 178.5013 *108 H 4.4590 8.4334 117.0474 53.1274 29.1500 173.2116 109 P 4.7672 0.0000 0.0000 62.3504 31.5080 178.4095 110 G 3.7973 7.8558 105.7390 46.3844 0.0000 176.2493 111 V 3.6880 7.6215 120.8156 66.4461 31.5184 177.5670 112 T 3.8780 8.0350 113.4738 66.7038 68.5117 175.8085 113 A 4.2229 8.1080 124.3475 56.0616 18.6201 180.1520 114 E 4.0362 7.9508 115.0560 60.8152 29.4483 180.8540 115 F 4.2000 8.1505 119.2377 62.1069 39.2387 177.1823 116 M 4.2679 8.4071 118.2193 58.2101 31.8475 178.2620 117 E 3.9253 8.2922 118.0893 59.6110 29.1267 179.1053 118 A 3.9620 7.7222 119.9679 55.2526 18.3475 179.7402 119 L 3.9138 7.3326 117.4504 57.5348 41.6584 179.3520 120 R 3.8510 8.2632 119.1383 59.8084 29.7878 178.0996 121 D 4.3457 8.1907 117.3638 57.2766 40.9442 178.3207 122 V 3.8503 7.2613 114.3835 61.7138 33.0550 174.7935 123 N 4.1418 8.1079 115.5697 55.1009 36.9821 173.5565 124 V 4.4273 7.8349 110.6700 59.3390 36.0772 175.1951 125 N 4.5471 8.6434 122.6298 52.3992 39.4087 174.5155 126 I 3.9345 8.3030 127.0758 61.6237 37.0965 175.4083 127 E 4.2856 8.5456 125.5480 58.1465 29.7269 176.5904 128 L 4.9668 7.8182 121.0857 53.0845 45.2930 174.4904 129 I 5.1048 8.1294 117.3393 59.5526 41.2450 174.7920 130 S 4.5379 8.7243 118.1017 57.8966 65.9076 173.3244 131 T 5.0527 8.2324 116.9025 60.3336 72.2707 172.1358 132 S 4.4988 9.0495 115.1776 57.3235 65.9342 175.2969 133 E 3.9085 8.8505 119.9167 59.0521 28.9802 178.4790 134 I 4.6376 7.4135 108.2654 59.4343 38.5327 174.5031 135 R 4.7794 7.7561 120.5261 55.5686 34.0812 173.4089 136 I 4.6377 8.4789 126.1840 59.5206 40.3148 174.7229 137 S 5.2171 8.7037 122.2251 56.8413 66.9847 173.5887 138 V 5.0382 9.0187 115.5432 59.7606 36.3315 174.3186 139 L 5.1738 8.8034 123.3590 53.7152 43.8524 175.8508 140 I 5.0293 8.9665 122.6496 59.5058 42.8818 174.1730 141 R 4.3705 8.7264 121.1240 57.0787 30.0183 178.3973 142 E 4.0140 8.7914 121.6827 59.3280 29.8172 178.9427 143 D 4.3858 8.0558 117.9957 56.4493 40.8184 176.4004 144 D 4.8050 7.8498 118.5892 54.2526 41.1175 178.3014 145 L 3.9766 7.6563 122.5234 58.3004 42.0789 178.4011 146 D 4.3279 8.0932 117.9628 57.5105 40.7132 178.5328 147 A 3.9319 8.1076 120.2612 55.2094 18.1814 179.4486 148 A 3.7976 7.6082 117.5643 55.3587 18.6435 179.4603 149 A 3.8923 8.5504 119.8946 55.5969 18.1914 180.1709 150 R 3.8080 8.6735 116.3454 59.4653 30.2567 179.2386 151 A 3.9743 7.7231 120.5645 54.9781 18.0813 179.7195 152 L 4.0560 8.0447 119.7007 58.7140 41.7221 179.5399 *153 H 4.2650 7.9391 118.3582 59.3197 27.9267 179.2663 154 E 4.4781 7.6351 118.0259 56.6382 30.3626 177.0233 155 Q 3.9456 7.3995 120.4580 56.2697 29.1285 176.1788 *156 F 3.6774 8.7078 120.7354 57.9745 37.6209 176.6608 157 Q 3.8986 8.7133 123.9087 54.6340 27.8668 170.4119 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 5 V 8.01 4.10 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 0.71 0.00 0.00 0.93 0.00 0.00 6 L 8.20 5.05 0.00 1.69 1.43 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 T 9.67 4.36 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 1.22 0.00 0.00 8 G 7.44 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 0.00 0.00 0.00 0.00 9 V 8.17 5.02 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 0.75 0.00 0.00 0.94 0.00 0.00 10 A 9.27 5.02 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 11 T 8.43 5.20 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 1.22 0.00 0.00 12 D 8.99 4.79 0.00 2.71 2.49 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 13 K 8.63 4.66 0.00 1.63 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.41 7.81 14 S 10.10 4.83 0.00 3.76 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 15 E 8.22 5.27 0.00 2.09 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 2.20 2.31 0.00 16 A 9.35 4.82 1.42 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 17 K 9.18 4.93 0.00 1.74 1.62 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.27 7.81 18 V 8.25 4.74 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 0.29 0.00 0.00 0.51 0.00 0.00 19 T 8.42 4.76 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 1.14 0.00 0.00 20 V 8.92 4.32 1.65 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 0.15 0.00 0.00 0.43 0.00 0.00 21 L 8.96 4.88 0.00 1.90 1.56 0.93 0.68 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 22 G 8.76 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 0.00 0.00 0.00 23 I 8.20 4.45 1.90 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.57 1.05 0.00 0.00 24 S 8.78 4.42 0.00 3.92 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 25 D 8.42 4.68 0.00 2.65 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 26 K 7.36 4.64 0.00 1.78 1.60 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.42 7.81 27 P 0.00 4.26 0.00 2.09 2.00 0.00 3.69 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 2.09 0.00 28 G 9.07 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 29 E 8.13 4.23 0.00 2.08 2.17 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 2.39 2.70 0.00 30 A 8.11 4.14 1.47 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 0.00 0.00 31 A 8.11 4.11 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 32 K 7.82 3.95 0.00 2.28 2.08 0.00 1.94 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.68 7.81 33 V 7.44 3.45 1.63 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 0.04 0.00 0.00 0.30 0.00 0.00 34 F 7.92 4.27 0.00 3.13 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 35 R 8.77 3.86 0.00 2.18 1.96 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 36 A 7.67 4.11 1.46 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 0.00 0.00 37 L 7.79 4.04 0.00 1.79 1.62 0.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.52 4.14 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 39 D 8.63 4.74 0.00 2.75 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 40 A 9.45 4.60 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 41 E 8.44 3.64 0.00 2.02 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 2.25 2.41 0.00 42 I 7.47 4.29 1.85 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 1.31 0.87 0.94 0.00 0.00 43 N 8.63 4.48 0.00 2.68 2.73 0.00 0.00 7.00 7.94 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 44 I 8.02 4.51 2.05 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 1.16 0.66 0.89 0.00 0.00 45 D 10.01 4.56 0.00 2.55 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 46 M 8.88 4.39 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 47 V 8.15 5.06 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 0.88 0.00 0.00 0.82 0.00 0.00 48 L 8.77 4.64 0.00 1.82 1.46 1.00 0.54 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 49 Q 8.49 4.53 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 50 N 9.25 4.48 0.00 2.73 2.31 0.00 0.00 7.02 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 51 V 8.63 4.67 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 0.83 0.00 0.00 0.84 0.00 0.00 52 F 8.90 4.62 0.00 3.32 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 53 S 8.62 4.62 0.00 4.18 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 54 V 8.44 3.62 2.07 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 0.86 0.00 0.00 0.85 0.00 0.00 55 E 8.21 4.14 0.00 2.14 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 0.00 2.30 2.29 0.00 56 D 8.16 4.41 0.00 2.87 2.79 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 0.00 0.00 0.00 57 G 8.22 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 0.00 0.00 0.00 0.00 58 T 7.27 4.68 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 1.28 0.00 0.00 59 T 8.96 5.11 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 1.27 0.00 0.00 60 D 8.66 5.46 0.00 2.56 2.59 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 0.00 0.00 0.00 0.00 61 I 8.54 4.81 1.76 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 1.27 0.99 1.15 0.00 0.00 62 T 8.71 5.04 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 1.18 0.00 0.00 63 F 8.53 5.61 0.00 3.32 3.34 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 64 T 9.48 5.80 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 1.34 0.00 0.00 65 C 8.51 5.42 0.00 3.21 3.19 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 66 P 0.00 4.76 0.00 2.24 2.05 0.00 3.73 0.00 0.00 3.84 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 67 R 9.20 4.00 0.00 1.84 2.07 0.00 3.18 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 68 S 8.15 4.16 0.00 3.86 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 69 D 8.27 4.78 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 70 G 7.75 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 0.00 0.00 0.00 71 R 7.74 3.01 0.00 1.58 1.81 0.00 3.17 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 72 R 7.84 3.87 0.00 1.89 2.04 0.00 3.23 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 73 A 8.24 3.99 1.60 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 0.00 0.00 74 M 7.73 3.86 0.00 2.00 1.88 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 2.63 2.76 0.00 75 E 7.81 4.05 0.00 2.15 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 2.44 0.00 76 I 7.76 3.71 2.08 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 1.54 0.94 0.95 0.00 0.00 77 L 7.97 4.60 0.00 1.91 1.91 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.98 4.48 0.00 1.68 1.73 0.00 1.78 0.00 0.00 1.48 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.18 7.81 79 K 8.30 4.28 0.00 2.01 2.07 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.48 7.81 80 L 7.58 3.90 0.00 1.85 0.84 0.85 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 81 Q 8.03 3.81 0.00 2.43 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.87 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 82 V 7.28 3.85 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 0.82 0.00 0.00 0.96 0.00 0.00 83 Q 7.75 4.29 0.00 2.15 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.96 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 84 G 7.90 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 85 N 7.21 4.13 0.00 1.44 1.80 0.00 0.00 6.63 7.55 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 86 W 6.84 5.67 0.00 3.43 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 87 T 8.65 4.29 4.30 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 1.33 0.00 0.00 88 N 7.98 5.15 0.00 2.80 2.91 0.00 0.00 5.90 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 89 V 8.38 4.96 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 0.89 0.00 0.00 0.99 0.00 0.00 90 L 9.14 4.92 0.00 1.48 1.50 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.42 5.20 0.00 2.79 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 92 D 9.29 4.40 0.00 2.64 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 93 D 8.03 5.11 0.00 2.69 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 94 Q 8.16 4.66 0.00 2.01 2.01 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 2.18 2.15 0.00 95 V 7.97 4.41 2.07 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 0.77 0.00 0.00 0.97 0.00 0.00 96 G 9.77 4.13 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 0.00 0.00 0.00 97 K 8.73 4.93 0.00 1.89 1.71 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.40 7.81 98 V 9.02 5.02 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 1.03 0.00 0.00 0.96 0.00 0.00 99 S 9.21 5.27 0.00 3.79 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 0.00 100 L 9.05 5.01 0.00 2.13 1.79 1.00 0.79 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 0.00 101 V 8.10 4.62 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 0.91 0.00 0.00 0.95 0.00 0.00 102 G 8.10 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 0.00 103 A 8.75 4.51 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 *108 H 8.43 4.46 0.00 2.97 2.96 0.00 7.20 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.77 0.00 2.16 2.16 0.00 3.73 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 1.94 1.95 0.00 110 G 7.86 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 0.00 0.00 0.00 111 V 7.62 3.69 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 1.11 0.00 0.00 0.95 0.00 0.00 112 T 8.03 3.88 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 1.20 0.00 0.00 113 A 8.11 4.22 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 0.00 114 E 7.95 4.04 0.00 2.03 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 2.24 2.19 0.00 115 F 8.15 4.20 0.00 3.16 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 0.00 116 M 8.41 4.27 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.03 0.00 117 E 8.29 3.93 0.00 2.16 2.00 0.00 0.00 0.00 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 2.45 0.00 118 A 7.72 3.96 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 0.00 119 L 7.33 3.91 0.00 1.79 1.69 0.84 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.26 3.85 0.00 1.92 2.12 0.00 3.11 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 1.62 1.68 0.00 121 D 8.19 4.35 0.00 2.76 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 0.00 122 V 7.26 3.85 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 0.77 0.00 0.00 0.94 0.00 0.00 123 N 8.11 4.14 0.00 2.84 2.79 0.00 0.00 6.87 8.57 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 0.00 124 V 7.83 4.43 2.07 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 0.76 0.00 0.00 0.98 0.00 0.00 125 N 8.64 4.55 0.00 2.65 2.72 0.00 0.00 7.12 7.94 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 0.00 126 I 8.30 3.93 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.00 0.97 0.00 0.00 127 E 8.55 4.29 0.00 1.99 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 2.30 2.41 0.00 128 L 7.82 4.97 0.00 1.68 1.46 0.92 0.78 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 0.00 129 I 8.13 5.10 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 1.21 0.79 0.92 0.00 0.00 130 S 8.72 4.54 0.00 3.88 3.68 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 0.00 131 T 8.23 5.05 4.20 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 1.04 0.00 0.00 132 S 9.05 4.50 0.00 3.91 3.95 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 0.00 0.00 0.00 133 E 8.85 3.91 0.00 1.96 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 0.00 2.31 2.27 0.00 134 I 7.41 4.64 1.95 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 1.82 0.90 0.00 0.00 135 R 7.76 4.78 0.00 1.82 1.71 0.00 3.01 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 136 I 8.48 4.64 1.39 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.38 -0.64 0.00 0.00 137 S 8.70 5.22 0.00 3.80 3.69 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 0.00 138 V 9.02 5.04 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 0.81 0.00 0.00 1.19 0.00 0.00 139 L 8.80 5.17 0.00 1.58 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.97 5.03 1.88 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 1.25 0.82 0.95 0.00 0.00 141 R 8.73 4.37 0.00 1.72 1.87 0.00 3.27 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 142 E 8.79 4.01 0.00 2.10 2.20 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 2.41 2.27 0.00 143 D 8.06 4.39 0.00 2.68 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 0.00 144 D 7.85 4.80 0.00 2.84 2.64 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 0.00 0.00 0.00 0.00 145 L 7.66 3.98 0.00 1.91 1.64 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.09 4.33 0.00 2.79 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 0.00 147 A 8.11 3.93 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 0.00 148 A 7.61 3.80 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 0.00 149 A 8.55 3.89 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 0.00 150 R 8.67 3.81 0.00 1.96 1.96 0.00 3.11 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 1.63 1.82 0.00 151 A 7.72 3.97 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 0.00 152 L 8.04 4.06 0.00 1.54 1.66 0.76 0.52 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 *153 H 7.94 4.26 0.00 3.04 2.99 0.00 7.19 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 7.64 4.48 0.00 2.02 2.07 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 2.23 2.54 0.00 155 Q 7.40 3.95 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.32 0.00 *156 F 8.71 3.68 0.00 2.32 2.20 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 0.00 157 Q 8.71 3.90 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 * Residues marked with a * may have inaccurate shift predictions.