NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.3066 8.2549 119.7042 55.7061 31.6752 174.7957 10 C 4.1551 8.3233 118.1247 59.7762 28.9997 171.7131 11 Q 5.0092 8.9712 124.1121 55.2256 30.9477 174.2055 12 A 4.6559 8.6853 121.5465 51.1295 23.4514 174.9312 13 Q 5.0434 8.5327 117.8593 54.1314 31.1341 175.5774 14 V 4.5345 8.8851 123.7223 61.1705 34.5916 174.3833 15 S 5.4181 8.7712 122.3357 56.7729 66.5911 173.2466 16 R 4.7003 9.0328 122.9550 54.5329 33.3352 173.7217 17 R 5.2985 8.7171 125.8519 54.7134 32.2042 174.7083 18 I 5.0071 8.8873 118.6689 59.4351 41.7993 173.7162 19 S 5.4315 8.6765 116.1055 56.6700 66.1832 173.0785 20 F 5.2560 8.7388 114.7875 55.6433 41.8457 173.1911 21 S 5.3449 9.2045 116.1939 57.3041 64.9120 173.2152 22 A 5.2598 8.9424 124.6310 50.9396 22.6133 175.0806 23 S 5.2775 8.7075 114.2032 57.3405 66.5800 172.5516 24 H 4.7799 8.8465 115.7205 55.3500 32.2321 172.0889 25 R 4.6910 9.3469 118.5228 54.7291 32.8967 174.1064 26 L 4.0832 8.5100 126.4402 53.9491 42.8849 175.5960 27 Y 5.0298 7.9110 122.5875 56.8016 41.6221 172.9841 28 S 4.3566 8.9007 124.8696 56.5624 63.6095 175.2851 29 K 3.7256 8.4263 132.3966 58.0364 31.5896 175.0292 *30 F 4.3356 7.2571 115.5253 59.0837 38.3418 180.4331 31 L 4.2856 7.4636 119.6654 53.9504 42.1365 177.4819 32 S 4.4639 8.5112 119.0487 59.1850 64.8272 176.0064 33 D 4.4683 8.5038 123.8954 58.6067 39.7597 178.0901 34 E 4.3100 8.2865 122.7527 59.2324 29.6425 179.1078 35 E 4.0740 8.1655 118.3429 60.8509 29.8464 183.0211 36 N 4.6857 8.7038 119.8383 56.9777 38.6662 178.0285 37 L 4.1399 8.4429 126.4244 60.1811 40.7905 182.0050 38 K 4.1448 8.2526 123.9035 59.4725 31.6896 180.4202 39 L 4.1391 7.9267 120.8185 57.2797 42.3783 178.1159 40 F 4.8913 8.7722 116.1779 56.5233 40.0754 177.3532 41 G 3.8356 8.9581 109.2501 46.0492 0.0000 177.0825 42 K 4.1687 8.6457 121.0164 59.7026 32.6798 178.7092 43 C 4.0506 8.0153 116.6494 61.7166 28.0457 174.1586 44 N 4.8931 8.2814 116.8830 52.1566 38.8449 174.0225 45 N 4.1109 8.0973 116.3268 54.2540 39.2498 173.2296 46 P 4.1197 0.0000 0.0000 65.7631 31.4827 176.8240 47 N 4.5303 8.1084 111.9603 52.8825 38.6387 175.2926 48 G 3.9148 9.6058 106.2225 45.2488 0.0000 171.1852 49 H 4.7994 8.5984 112.4300 55.2230 31.9983 172.0386 50 G 4.4361 8.2447 104.3471 46.2425 0.0000 171.6882 51 H 4.8141 8.9265 115.2358 54.3385 33.6572 173.6114 52 N 4.7441 8.5005 119.2360 52.3204 38.2601 174.2449 53 Y 4.2347 8.4827 122.3897 57.5856 39.4615 174.9618 54 K 5.0642 8.8711 122.4801 54.6170 35.3221 175.2964 55 V 5.0609 9.1558 124.2994 61.1228 34.8538 174.1188 56 V 4.8638 9.2624 127.9520 61.2528 33.9161 174.0712 57 V 4.8292 8.8768 128.6201 61.5708 33.6952 174.2836 58 T 5.1492 9.0218 124.6792 62.0001 71.1683 173.8303 59 V 5.0449 8.9585 119.9355 59.9802 35.0195 174.3354 60 H 5.3566 9.6372 117.4151 53.6954 32.2065 173.0911 61 G 3.9605 7.5832 104.1120 46.3496 0.0000 171.2148 62 E 4.6947 7.9883 119.0043 56.1651 30.8717 177.0294 63 I 4.2300 8.5220 125.3576 60.7994 37.5168 175.4214 64 D 4.4608 8.8041 128.4085 54.2172 41.4871 175.7475 65 P 4.3315 0.0000 0.0000 64.4671 31.9850 177.3032 66 A 4.2390 8.4553 122.7063 54.8742 18.9393 178.6763 67 T 4.1122 8.1227 103.3418 61.7367 69.6600 175.8397 68 G 3.9308 8.4795 109.7006 46.0135 0.0000 172.9467 69 M 4.8515 7.5392 118.1118 53.0703 35.3830 177.0260 70 V 3.8975 8.3298 120.4729 65.0844 32.1840 176.2245 71 M 4.4965 7.5112 115.9875 53.8893 35.0475 173.0644 72 N 4.2498 8.9600 126.8018 54.4859 39.5583 175.6568 73 L 4.0140 8.8399 129.8089 59.7362 41.1698 175.5026 74 A 4.2695 8.0267 121.2686 54.4207 18.1297 179.0733 75 D 4.1807 7.8702 117.4821 56.4278 41.2107 178.6468 76 L 4.1416 7.7445 120.5664 57.7518 42.1684 178.7262 77 K 3.9106 8.0280 119.8457 59.3012 32.1309 178.6697 78 K 3.8489 7.3694 118.6685 59.7623 32.0246 178.3559 79 Y 4.2921 7.8435 117.1047 61.5121 37.7856 178.5575 80 M 4.1490 8.3985 119.7090 58.0459 31.9869 178.4014 81 E 3.9281 8.7129 120.0932 59.3567 29.6152 178.5806 82 E 3.9234 8.2377 117.9514 58.9054 29.8286 177.9793 83 A 4.2223 8.2971 119.8333 53.3267 19.0985 177.1447 84 I 4.2294 7.7496 115.5470 63.4265 39.7796 177.8457 85 M 3.9595 8.0249 118.9041 58.7569 32.1963 178.6699 86 Q 4.0090 8.1618 116.5967 58.5805 28.9193 176.9361 87 P 4.4454 0.0000 0.0000 64.5062 31.8501 176.7871 88 L 4.3361 7.5002 117.5430 55.1207 43.3040 176.5397 89 D 4.5821 8.2227 118.7384 55.3378 41.7668 175.4640 90 H 4.1165 9.1884 123.4244 57.3303 27.0483 174.4819 91 K 4.6408 7.7272 115.8146 54.4746 36.0499 175.2833 92 N 5.2436 9.3611 119.3436 51.3813 39.3262 175.8245 93 L 3.9493 8.9305 127.4501 58.1042 41.8277 179.6191 94 D 4.5014 7.8752 116.8695 56.4483 40.9916 177.1186 95 M 4.4914 8.2013 116.6839 55.6090 33.6424 176.2779 96 D 4.6265 8.4228 116.9958 54.0455 42.4917 176.2702 97 V 4.2679 7.3915 119.6172 60.2332 32.1507 174.0088 98 P 4.2724 0.0000 0.0000 65.8450 31.5132 178.0222 99 Y 3.8989 8.2592 118.5719 60.7173 38.4887 177.3220 100 F 4.6505 8.0255 115.0921 57.3401 39.0965 176.4522 101 A 4.2407 8.1713 126.8917 54.7312 18.1486 178.7751 102 D 4.9041 7.7099 113.4014 52.9208 40.1169 175.2859 103 V 4.3032 6.9160 120.0418 61.5044 34.2760 175.1583 104 V 3.7511 8.4119 127.0706 63.0327 32.1474 176.1908 105 S 4.3421 8.3642 124.0249 58.3031 63.1852 174.8005 106 T 4.1791 7.5942 110.9738 62.8377 70.9047 174.2630 107 T 3.9657 8.4921 118.5505 66.7785 68.4841 176.4498 108 E 3.9687 8.3347 120.0771 59.9318 29.5368 179.2406 109 N 4.5558 8.1176 115.3653 55.8985 38.6163 177.8290 110 V 3.8868 8.1408 120.0889 65.8577 31.5738 177.8855 111 A 4.1244 8.3932 120.8851 55.2234 18.1696 179.8445 112 V 3.1078 7.7131 116.7775 65.9673 31.4626 177.4207 113 Y 3.6605 8.1729 119.3594 60.7794 38.5461 178.3540 114 I 3.5069 8.0135 120.4631 63.9710 37.1848 177.9941 115 W 4.1383 8.4098 129.2331 60.8795 30.3211 177.7644 116 D 4.4203 8.2523 117.3576 57.4058 40.3940 178.1971 117 N 4.2257 7.9946 117.2415 56.1191 38.3721 177.4678 118 L 3.8302 8.0889 120.7219 57.8935 41.5215 179.6295 119 Q 3.7352 7.6824 116.2848 58.2469 28.5949 178.5884 120 K 4.0679 7.4247 118.9768 58.3491 32.0500 177.9942 121 V 4.1730 7.2485 110.4343 61.8334 33.9479 176.4440 122 L 3.4684 7.4381 119.2568 53.3899 41.9062 175.3618 123 P 4.3081 0.0000 0.0000 62.1903 31.9492 176.5137 124 V 3.5178 7.9530 120.5627 64.4725 31.8789 176.4367 125 G 3.9879 9.0399 114.5577 45.3015 0.0000 173.4608 126 V 4.3320 7.4235 119.6544 64.0136 33.8682 175.8026 127 L 3.9915 7.7056 122.1466 55.6634 41.6941 175.5683 128 Y 4.7182 8.8074 127.2448 58.8329 40.9039 175.6394 129 K 4.8613 7.8216 117.8285 55.2131 36.1291 174.3985 130 V 4.9214 9.0897 126.1835 61.0184 34.6005 173.8754 131 K 5.0563 9.3701 129.5149 54.5756 35.0060 174.5787 132 V 5.0178 8.8710 127.3243 61.4322 34.6256 173.6248 133 Y 4.8437 9.5386 126.5217 56.6300 38.4916 176.3856 134 E 3.5091 8.8845 127.3078 58.5750 29.7257 176.1731 135 T 4.6561 7.3422 106.6377 59.7502 72.0700 173.7912 136 D 4.4419 8.7754 120.4617 57.0042 40.6877 177.4773 137 N 4.8211 8.0750 113.5210 52.8814 39.8024 174.0590 138 N 5.0188 8.0579 116.1616 51.4674 41.5487 173.5223 139 I 4.9086 8.3319 123.7993 59.2690 41.1468 175.1208 140 V 4.4505 8.6934 125.2888 61.0014 34.5519 174.2143 141 V 4.8567 8.4497 126.6411 61.2114 33.9716 173.7141 142 Y 4.7576 9.0112 128.5471 55.5040 41.4574 175.7316 143 K 4.0656 7.2877 123.5516 55.5098 33.2928 177.0586 144 G 2.6176 5.3800 104.7247 45.6866 0.0000 174.1582 145 E 4.0090 6.6424 124.8189 56.1490 29.5058 176.3098 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 9 R 8.25 4.31 0.00 1.80 1.92 0.00 3.17 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 10 C 8.32 4.16 0.00 2.95 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 11 Q 8.97 5.01 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 12 A 8.69 4.66 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 13 Q 8.53 5.04 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.62 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 14 V 8.89 4.53 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 1.07 0.00 0.00 0.94 0.00 0.00 15 S 8.77 5.42 0.00 3.80 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 16 R 9.03 4.70 0.00 1.97 1.76 0.00 3.17 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 17 R 8.72 5.30 0.00 1.88 1.80 0.00 3.11 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 18 I 8.89 5.01 1.97 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 1.39 1.24 0.97 0.00 0.00 19 S 8.68 5.43 0.00 3.83 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 20 F 8.74 5.26 0.00 3.21 3.17 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 0.00 21 S 9.20 5.34 0.00 3.57 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 22 A 8.94 5.26 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 23 S 8.71 5.28 0.00 3.98 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 24 H 8.85 4.78 0.00 3.24 3.31 0.00 5.25 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.35 4.69 0.00 1.68 1.73 0.00 3.36 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 26 L 8.51 4.08 0.00 1.20 0.13 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.91 5.03 0.00 2.75 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 28 S 8.90 4.36 0.00 3.92 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 29 K 8.43 3.73 0.00 1.81 1.74 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.03 7.81 *30 F 7.26 4.34 0.00 2.33 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 0.00 0.00 0.00 0.00 31 L 7.46 4.29 0.00 1.92 1.63 0.92 0.91 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 32 S 8.51 4.46 0.00 4.07 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 33 D 8.50 4.47 0.00 2.71 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 34 E 8.29 4.31 0.00 2.14 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 2.37 1.94 0.00 35 E 8.17 4.07 0.00 2.01 1.94 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 2.31 1.97 0.00 36 N 8.70 4.69 0.00 3.16 3.18 0.00 0.00 7.09 7.34 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 37 L 8.44 4.14 0.00 1.63 1.68 0.92 1.00 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 38 K 8.25 4.14 0.00 1.79 1.76 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 39 L 7.93 4.14 0.00 1.69 1.26 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.77 4.89 0.00 3.23 2.98 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 41 G 8.96 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 42 K 8.65 4.17 0.00 1.92 2.08 0.00 1.51 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.43 7.81 43 C 8.02 4.05 0.00 3.29 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 44 N 8.28 4.89 0.00 2.83 3.06 0.00 0.00 7.05 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 45 N 8.10 4.11 0.00 2.95 2.73 0.00 0.00 7.15 7.09 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 46 P 0.00 4.12 0.00 2.04 2.05 0.00 3.70 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 2.00 2.08 0.00 47 N 8.11 4.53 0.00 2.69 2.82 0.00 0.00 7.11 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 48 G 9.61 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 49 H 8.60 4.80 0.00 3.11 3.36 0.00 5.27 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.24 4.44 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 0.00 51 H 8.93 4.81 0.00 1.99 2.59 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.50 4.74 0.00 2.51 2.71 0.00 0.00 7.00 7.46 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 53 Y 8.48 4.23 0.00 1.43 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 0.00 0.00 0.00 0.00 54 K 8.87 5.06 0.00 1.59 1.59 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.22 7.81 55 V 9.16 5.06 2.27 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 1.11 0.00 0.00 1.27 0.00 0.00 56 V 9.26 4.86 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 1.07 0.00 0.00 1.14 0.00 0.00 57 V 8.88 4.83 2.14 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 0.99 0.00 0.00 1.00 0.00 0.00 58 T 9.02 5.15 4.45 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 1.39 0.00 0.00 59 V 8.96 5.04 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 0.75 0.00 0.00 0.96 0.00 0.00 60 H 9.64 5.36 0.00 3.00 3.01 0.00 5.73 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 61 G 7.58 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 62 E 7.99 4.69 0.00 1.93 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 0.00 2.37 2.31 0.00 63 I 8.52 4.23 1.86 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 1.11 0.56 0.91 0.00 0.00 64 D 8.80 4.46 0.00 2.78 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.33 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 66 A 8.46 4.24 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 67 T 8.12 4.11 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 68 G 8.48 3.93 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 0.00 0.00 0.00 69 M 7.54 4.85 0.00 2.03 1.92 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 2.72 2.43 0.00 70 V 8.33 3.90 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 1.01 0.00 0.00 71 M 7.51 4.50 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 72 N 8.96 4.25 0.00 2.76 2.87 0.00 0.00 7.31 6.66 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 73 L 8.84 4.01 0.00 1.69 1.67 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.03 4.27 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 75 D 7.87 4.18 0.00 2.78 2.30 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 76 L 7.74 4.14 0.00 1.82 1.81 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.03 3.91 0.00 1.96 1.75 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 78 K 7.37 3.85 0.00 1.88 1.63 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.36 7.81 79 Y 7.84 4.29 0.00 3.14 2.82 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 80 M 8.40 4.15 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 81 E 8.71 3.93 0.00 2.11 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 0.00 2.30 2.36 0.00 82 E 8.24 3.92 0.00 2.37 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 2.19 0.00 83 A 8.30 4.22 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 84 I 7.75 4.23 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.79 0.00 0.00 85 M 8.02 3.96 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.55 0.00 86 Q 8.16 4.01 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 87 P 0.00 4.45 0.00 2.29 2.24 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 88 L 7.50 4.34 0.00 0.89 0.89 0.47 0.91 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 89 D 8.22 4.58 0.00 2.69 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 90 H 9.19 4.12 0.00 3.30 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.73 4.64 0.00 1.87 1.66 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.61 1.53 7.81 92 N 9.36 5.24 0.00 2.67 2.84 0.00 0.00 7.12 6.52 0.00 0.00 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 L 8.93 3.95 0.00 1.51 1.19 0.52 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.88 4.50 0.00 2.64 2.77 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 95 M 8.20 4.49 0.00 2.00 2.11 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 2.68 2.54 0.00 96 D 8.42 4.63 0.00 2.78 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 97 V 7.39 4.27 2.44 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 0.90 0.00 0.00 0.98 0.00 0.00 98 P 0.00 4.27 0.00 2.27 2.13 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 99 Y 8.26 3.90 0.00 2.88 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.03 4.65 0.00 3.29 3.02 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 0.00 101 A 8.17 4.24 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 0.00 102 D 7.71 4.90 0.00 2.64 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 0.00 103 V 6.92 4.30 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.49 0.00 0.00 104 V 8.41 3.75 2.14 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 0.78 0.00 0.00 0.96 0.00 0.00 105 S 8.36 4.34 0.00 3.52 3.46 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 0.00 106 T 7.59 4.18 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 107 T 8.49 3.97 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 1.33 0.00 0.00 108 E 8.33 3.97 0.00 2.09 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 2.43 2.51 0.00 109 N 8.12 4.56 0.00 3.20 3.23 0.00 0.00 6.73 7.24 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 0.00 110 V 8.14 3.89 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 1.01 0.00 0.00 0.77 0.00 0.00 111 A 8.39 4.12 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 0.00 0.00 112 V 7.71 3.11 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 0.92 0.00 0.00 0.04 0.00 0.00 113 Y 8.17 3.66 0.00 2.79 3.21 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 0.00 114 I 8.01 3.51 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.97 0.00 0.00 115 W 8.41 4.14 0.00 3.78 3.40 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 0.00 116 D 8.25 4.42 0.00 2.64 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 0.00 117 N 7.99 4.23 0.00 2.59 2.61 0.00 0.00 7.04 7.56 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 0.00 118 L 8.09 3.83 0.00 1.56 1.42 0.85 0.97 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 0.00 119 Q 7.68 3.74 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 1.73 2.07 0.00 120 K 7.42 4.07 0.00 1.77 1.80 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.53 7.81 121 V 7.25 4.17 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 0.74 0.00 0.00 0.82 0.00 0.00 122 L 7.44 3.47 0.00 1.30 1.30 0.63 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.31 0.00 1.99 1.95 0.00 3.47 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 124 V 7.95 3.52 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 0.76 0.00 0.00 0.90 0.00 0.00 125 G 9.04 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 0.00 126 V 7.42 4.33 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 1.01 0.00 0.00 0.91 0.00 0.00 127 L 7.71 3.99 0.00 1.23 0.89 0.73 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.81 4.72 0.00 2.65 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 0.00 129 K 7.82 4.86 0.00 1.48 1.65 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.29 7.81 130 V 9.09 4.92 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 1.15 0.00 0.00 1.18 0.00 0.00 131 K 9.37 5.06 0.00 1.87 1.82 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.56 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.10 1.20 7.81 132 V 8.87 5.02 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 1.26 0.00 0.00 1.09 0.00 0.00 133 Y 9.54 4.84 0.00 2.83 3.03 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 0.00 134 E 8.88 3.51 0.00 1.91 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 1.60 1.68 0.00 135 T 7.34 4.66 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 1.13 0.00 0.00 136 D 8.78 4.44 0.00 2.70 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 0.00 137 N 8.07 4.82 0.00 2.72 2.84 0.00 0.00 6.79 8.16 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 0.00 138 N 8.06 5.02 0.00 2.59 2.69 0.00 0.00 6.66 7.24 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 0.00 139 I 8.33 4.91 1.69 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 0.70 0.48 0.38 0.00 0.00 140 V 8.69 4.45 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 1.07 0.00 0.00 0.98 0.00 0.00 141 V 8.45 4.86 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 0.80 0.00 0.00 0.89 0.00 0.00 142 Y 9.01 4.76 0.00 2.95 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 0.00 143 K 7.29 4.07 0.00 1.59 1.30 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.28 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.96 1.11 7.81 144 G 5.38 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 0.00 0.00 0.00 145 E 6.64 4.01 0.00 1.89 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.