NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Y 4.6428 8.1444 118.3663 58.3558 39.8904 173.5276 7 T 4.3820 9.0821 123.3461 61.5943 66.0291 175.6013 *9 N 4.7140 9.5401 115.3713 53.1978 41.3776 175.5490 10 E 3.8875 7.8009 112.9210 57.9323 29.6456 178.5983 *12 V 4.0473 7.8032 120.6565 63.1248 33.4736 177.3301 13 D 4.3359 8.3215 119.4283 57.3798 40.3904 178.3753 14 I 3.7016 7.9388 119.4425 64.9959 37.2471 178.0630 15 T 4.0098 7.7919 113.8902 66.8335 68.7233 176.5722 16 K 4.1837 8.5231 120.4440 59.1685 31.8064 178.8964 17 D 4.3328 8.0736 117.7770 54.9282 40.6023 178.0906 *19 L 3.9838 7.9173 122.0960 55.0290 44.0098 179.1347 20 N 4.5096 8.1666 115.3671 55.7664 38.6551 176.9691 21 K 3.7642 8.7375 119.0029 59.7976 32.1212 177.5039 22 R 4.1300 7.8390 114.0895 56.6759 30.0383 176.7100 23 G 3.8244 8.8987 106.6544 45.9055 0.0000 173.1689 24 V 4.4138 8.2456 119.8476 60.6994 34.8825 175.5865 *26 I 4.1754 8.1085 118.9988 61.1402 38.9979 177.8660 27 E 4.2511 7.9782 118.2645 58.9290 29.4907 178.5760 28 D 4.3768 7.9794 118.9911 57.1749 41.1958 178.2271 29 I 3.8528 7.6983 119.6913 64.3859 37.2743 178.1980 30 A 3.9940 8.4661 121.8383 54.9987 17.9968 179.9420 31 R 3.8794 7.7393 116.5259 59.5497 30.0489 179.2838 32 I 3.7750 7.9242 119.7638 63.9835 36.8688 178.2717 33 V 3.5905 7.8669 118.2497 66.2611 31.4828 177.6341 34 Q 4.0608 7.9605 116.9887 59.2756 28.2607 178.1295 35 K 3.8803 8.1947 120.9655 59.2933 32.1076 178.3011 36 L 4.2056 8.0292 118.6768 56.8422 41.6981 178.2643 37 Q 4.6354 7.7787 117.0206 55.6082 28.7128 177.3530 38 E 3.9418 8.1910 119.2763 59.3951 30.0170 178.8738 39 K 3.8791 8.2699 119.6444 58.9922 32.4339 177.6503 40 Y 4.3884 8.1295 117.2861 60.6149 39.4852 176.7309 41 N 5.1161 8.7210 116.5746 51.5736 40.6962 173.4715 42 P 4.5568 0.0000 0.0000 63.9499 32.2422 177.3765 43 N 4.9251 7.6739 116.9955 52.6944 38.7053 174.5835 44 L 4.5326 7.5742 119.3273 52.5039 44.0770 174.2524 45 P 4.3243 0.0000 0.0000 62.2280 32.1374 176.6916 46 L 3.9132 8.7088 125.2962 58.6762 42.0281 178.9994 47 S 4.2496 7.9270 112.3335 61.2261 63.3270 176.2467 48 V 3.7588 7.5903 121.3295 65.9207 31.3859 178.0246 49 C 3.6132 7.9196 114.9406 60.7917 28.8400 175.3100 *51 E 4.2604 8.1852 123.7156 56.3941 31.2289 177.5848 52 N 4.2745 8.5213 116.2700 57.1545 38.5804 178.2391 53 V 3.3269 7.5728 119.4124 65.7659 31.9317 177.8093 54 E 4.1864 7.9683 116.6951 58.9028 29.7813 179.0051 55 K 4.1397 7.8563 118.4745 59.1780 32.1204 179.1331 56 V 3.7313 7.8730 120.2857 65.4407 31.1991 177.8844 57 L 4.2495 8.2826 115.7610 56.3666 41.4027 177.8370 58 N 4.7890 7.7932 116.1566 52.0320 39.2898 174.3193 59 K 4.5162 7.5476 121.5916 54.6733 34.0302 176.9168 60 R 3.7229 8.7784 124.0612 59.8466 29.8603 178.0948 61 E 3.9331 8.2059 117.4085 59.8958 29.4531 179.5361 62 I 3.7508 7.7388 118.8021 64.3482 37.0739 178.5514 63 I 3.6997 7.6338 120.5099 64.8133 37.1315 177.8862 64 H 4.0545 8.3043 117.0891 59.1276 28.4941 177.4554 65 A 3.9714 7.7703 121.6470 55.1095 18.5135 179.5619 66 V 3.5512 8.0963 117.2212 66.4343 31.3867 178.1664 67 L 3.9853 8.2514 118.7307 58.0562 41.5402 179.7325 68 T 3.9411 7.8052 115.5958 66.2251 68.3727 177.1486 69 G 3.5327 7.9165 107.6494 48.0365 0.0000 175.7199 70 L 4.0957 7.9230 121.5742 56.8210 41.6111 179.1037 71 A 3.9680 8.1789 121.3066 55.4771 18.1174 179.7769 72 L 3.7930 7.3804 116.7412 57.7601 41.4421 179.4012 73 D 4.5297 7.8987 118.9007 57.3065 40.6706 178.5620 74 Q 4.1176 7.6501 117.8892 58.2402 29.1891 178.1400 75 L 4.0091 8.1331 119.8756 57.6114 41.5550 179.4669 76 A 4.2567 7.8176 121.1284 54.7675 18.3769 179.0349 77 E 4.2064 8.2862 114.1285 58.1496 29.7390 178.0236 78 Q 4.4700 7.4650 118.1060 54.4516 29.9124 175.3881 79 K 4.0083 7.7493 117.6954 57.8473 30.1873 175.3718 80 L 4.5362 8.2933 116.2545 54.5903 42.9193 177.5058 81 L 4.3744 7.7491 119.2008 52.8003 42.7593 174.7619 82 P 4.5099 0.0000 0.0000 62.8791 32.1008 174.5569 83 E 4.8615 8.4186 117.8478 54.3896 31.3765 175.0351 84 P 4.6854 0.0000 0.0000 62.7472 31.8011 177.0791 85 L 3.8381 7.8744 121.7169 58.7341 41.7316 178.3613 86 Q 3.8880 8.5599 119.5531 59.6733 28.8976 178.0327 87 H 4.4770 8.0499 119.7644 58.1785 29.9508 176.9652 88 L 3.6844 8.2535 121.3040 57.5694 41.4066 179.6796 89 V 3.2920 8.1198 118.6112 66.0641 31.0604 177.8401 90 E 3.9639 8.2919 118.7272 59.2080 29.1123 178.7355 91 T 4.1408 7.8200 107.1776 60.7182 70.2819 173.6325 92 D 4.1314 7.7480 120.0842 54.5159 39.7454 173.8797 93 E 3.8765 8.2634 120.5285 56.1946 30.2230 175.3553 94 P 3.8017 0.0000 0.0000 65.3908 31.4789 176.8830 95 L 4.4611 7.9359 115.0272 54.3690 41.9113 175.4246 96 Y 4.3667 8.6767 122.6779 56.9764 39.2369 175.1195 97 G 4.4343 7.8406 113.9103 45.7590 0.0000 174.1556 98 I 3.6642 6.2838 122.2172 63.8033 36.7211 177.7635 99 D 4.3298 7.5005 119.1048 56.1773 39.4205 177.7637 100 E 4.4497 8.0213 118.8895 58.1118 29.6913 178.7214 101 I 3.9680 7.4677 119.7549 63.5016 37.6970 177.5301 102 I 3.7104 8.0218 120.9595 64.2758 37.2237 176.2357 103 P 4.3576 0.0000 0.0000 63.7352 31.2608 178.1446 104 L 3.9074 7.6895 119.7593 57.2319 41.2455 178.9418 105 S 4.0615 8.2287 113.1479 61.0573 62.5494 176.0103 106 I 4.0011 7.5189 122.6041 64.2917 37.1635 178.7346 107 V 3.8555 7.4560 112.2848 63.8832 31.3481 178.1701 108 N 4.2683 8.2640 117.0613 56.5143 38.2416 177.2335 109 V 3.5583 7.1816 116.4157 65.1551 31.6428 175.9768 110 Y 4.4681 8.0475 115.9344 57.0169 39.1079 176.9791 111 G 3.9314 8.1101 110.4838 46.2847 0.0000 175.1711 112 S 4.1872 8.6139 111.9806 61.7352 63.0858 176.4439 113 I 3.8841 7.9421 123.1206 63.8528 36.7571 178.5767 114 G 3.6245 7.9117 105.3725 47.8130 0.0000 175.5427 115 L 4.1110 7.9714 121.9228 58.1466 41.6783 180.0214 116 T 4.0106 8.2247 115.3796 66.7733 68.3979 176.7967 117 N 4.5501 8.6413 118.6777 55.8828 38.3120 177.3318 118 F 4.4675 8.5634 122.0811 61.3104 39.8392 176.7533 119 G 3.9083 8.1263 105.4109 48.2030 0.0000 174.5052 120 Y 4.0649 8.0442 122.3144 60.4290 38.6394 178.4193 121 L 3.9877 7.9264 119.3479 56.7433 41.7352 178.6256 122 D 4.2471 7.5140 117.1332 56.0440 41.1185 177.8798 123 K 4.3167 7.5922 118.5496 57.7681 32.8168 177.5002 124 E 4.0159 7.1802 124.4212 54.9549 28.4040 175.6220 125 K 4.2535 8.2197 124.2336 55.7175 32.7585 176.9572 126 I 4.6370 7.6954 116.2877 59.9418 41.5136 175.9476 127 G 4.0022 8.4975 107.7598 45.9200 0.0000 174.6407 128 I 3.8487 8.3519 118.0311 63.9123 37.5921 178.7613 129 I 3.7583 7.4730 120.1121 64.2089 37.2046 177.7853 130 K 4.0760 7.6822 120.6306 59.6544 31.8859 178.7333 131 E 3.9661 8.0867 116.9859 59.3095 29.5117 178.5806 132 L 3.9565 7.9309 119.4771 57.3034 43.3456 177.4557 133 D 4.7917 8.0153 121.0370 53.2824 39.7472 176.6448 134 E 4.5866 7.1068 118.5816 55.0472 30.0768 176.6177 135 S 3.8980 7.7566 115.1735 58.2143 62.4112 169.6365 136 P 4.7151 0.0000 0.0000 62.2795 29.5729 175.9000 137 D 4.3369 8.1427 115.1229 55.9363 41.1690 177.6685 138 G 3.8323 7.8022 105.6735 44.3754 0.0000 172.8236 139 I 4.3467 8.0857 122.7112 60.4802 38.0229 175.5818 140 H 5.2486 8.4124 122.9256 55.3134 29.1762 176.5296 141 T 3.6965 8.3873 118.1423 67.9751 68.7513 175.5968 142 F 4.3108 9.1797 119.6158 59.6893 39.0497 177.9368 143 L 4.0774 8.2260 120.5112 58.0509 41.9510 178.3055 144 D 4.4350 8.2198 119.0141 57.7571 40.7540 178.5976 145 D 4.6600 8.0518 117.7188 56.4022 41.4156 178.5903 146 I 3.6768 7.9708 120.5893 64.6393 37.0446 178.5551 147 V 3.6524 8.2118 118.7579 65.7879 31.3784 177.9285 148 A 4.0512 8.1351 120.2590 55.0956 18.1684 179.4203 149 A 3.8951 8.9377 119.8883 55.4498 18.4885 179.8841 150 L 3.8248 8.4065 117.6606 57.8545 41.6466 179.7141 151 A 3.9928 8.3986 120.8343 54.9242 17.8836 179.6009 152 A 3.9942 8.3273 119.2922 55.0369 18.4294 179.7649 153 A 3.7227 8.1595 119.2690 55.2440 18.3126 179.6854 154 A 3.7222 7.8000 119.0142 55.2497 18.3633 179.7155 155 A 3.9367 8.1738 118.9023 54.5425 18.4269 179.1595 156 S 4.4293 7.5672 110.6470 60.0650 62.7393 176.0493 157 R 4.1546 8.2704 121.2371 59.1641 29.4683 177.9011 158 I 4.0120 7.5142 119.1716 63.4668 37.7086 177.9299 159 A 4.1593 7.8835 121.4742 55.0937 18.3657 178.5765 160 H 4.4898 8.3551 112.8902 57.8494 29.0849 176.2664 161 T 4.4028 7.6088 116.5601 64.6190 68.9814 176.5724 162 H 4.1307 7.7833 121.9802 58.6978 29.2373 176.4690 163 Q 4.4026 7.6466 118.6567 57.5801 29.1390 177.2710 164 D 4.3953 7.9020 118.3341 56.3788 40.8207 177.5338 165 L 4.0056 8.2385 120.1273 57.5718 42.1310 177.2370 166 Q 4.1965 7.7225 121.7999 56.1881 28.7120 175.9590 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 6 Y 8.14 4.64 0.00 3.07 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 7 T 9.08 4.38 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 1.30 0.00 0.00 *9 N 9.54 4.71 0.00 2.84 2.91 0.00 0.00 6.85 7.66 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 10 E 7.80 3.89 0.00 2.49 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 0.00 2.37 2.29 0.00 *12 V 7.80 4.05 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 0.98 0.00 0.00 0.94 0.00 0.00 13 D 8.32 4.34 0.00 2.88 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 14 I 7.94 3.70 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.68 0.89 0.00 0.00 15 T 7.79 4.01 4.40 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 1.21 0.00 0.00 16 K 8.52 4.18 0.00 1.76 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.84 7.81 17 D 8.07 4.33 0.00 2.82 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 *19 L 7.92 3.98 0.00 1.74 1.77 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.17 4.51 0.00 2.94 2.87 0.00 0.00 6.35 7.84 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 21 K 8.74 3.76 0.00 1.82 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.45 7.81 22 R 7.84 4.13 0.00 1.97 1.98 0.00 3.46 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 23 G 8.90 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 24 V 8.25 4.41 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 1.01 0.00 0.00 0.95 0.00 0.00 *26 I 8.11 4.18 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 1.47 0.68 0.90 0.00 0.00 27 E 7.98 4.25 0.00 2.19 2.19 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 2.35 2.39 0.00 28 D 7.98 4.38 0.00 2.65 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 29 I 7.70 3.85 1.99 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 1.58 0.58 0.90 0.00 0.00 30 A 8.47 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.74 3.88 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 32 I 7.92 3.78 1.99 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 1.43 0.66 0.96 0.00 0.00 33 V 7.87 3.59 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 0.83 0.00 0.00 0.94 0.00 0.00 34 Q 7.96 4.06 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.50 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 35 K 8.19 3.88 0.00 1.75 2.07 0.00 1.96 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.61 7.81 36 L 8.03 4.21 0.00 1.94 1.71 1.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.78 4.64 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 38 E 8.19 3.94 0.00 2.15 2.19 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 2.37 2.35 0.00 39 K 8.27 3.88 0.00 1.78 1.97 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.40 7.81 40 Y 8.13 4.39 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.72 5.12 0.00 2.56 2.55 0.00 0.00 6.84 8.00 0.00 0.00 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 P 0.00 4.56 0.00 2.18 2.24 0.00 3.36 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 43 N 7.67 4.93 0.00 2.74 2.82 0.00 0.00 6.76 7.19 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 44 L 7.57 4.53 0.00 1.47 1.57 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.32 0.00 2.19 1.96 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 46 L 8.71 3.91 0.00 1.71 1.73 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.93 4.25 0.00 4.06 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 48 V 7.59 3.76 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 1.03 0.00 0.00 0.95 0.00 0.00 49 C 7.92 3.61 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 E 8.19 4.26 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 2.28 2.34 0.00 52 N 8.52 4.27 0.00 2.86 2.78 0.00 0.00 6.58 7.79 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 53 V 7.57 3.33 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 1.00 0.00 0.00 0.91 0.00 0.00 54 E 7.97 4.19 0.00 2.16 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 2.33 0.00 55 K 7.86 4.14 0.00 2.00 1.90 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.61 7.81 56 V 7.87 3.73 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 0.99 0.00 0.00 0.48 0.00 0.00 57 L 8.28 4.25 0.00 1.60 1.71 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.79 4.79 0.00 3.01 2.85 0.00 0.00 6.87 7.03 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 59 K 7.55 4.52 0.00 1.84 1.72 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.64 7.81 60 R 8.78 3.72 0.00 1.82 1.87 0.00 3.19 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 61 E 8.21 3.93 0.00 2.00 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 2.40 2.36 0.00 62 I 7.74 3.75 2.04 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 1.88 0.56 0.91 0.00 0.00 63 I 7.63 3.70 2.05 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 1.51 0.79 0.89 0.00 0.00 64 H 8.30 4.05 0.00 3.36 3.38 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.77 3.97 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 66 V 8.10 3.55 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 1.03 0.00 0.00 0.99 0.00 0.00 67 L 8.25 3.99 0.00 1.81 1.65 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.81 3.94 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 1.11 0.00 0.00 69 G 7.92 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.92 4.10 0.00 1.88 1.71 0.97 0.64 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 71 A 8.18 3.97 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 L 7.38 3.79 0.00 0.92 0.94 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.90 4.53 0.00 2.90 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 74 Q 7.65 4.12 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 75 L 8.13 4.01 0.00 1.66 1.71 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.82 4.26 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 77 E 8.29 4.21 0.00 2.14 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 2.57 2.36 0.00 78 Q 7.47 4.47 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 79 K 7.75 4.01 0.00 1.83 1.82 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.43 7.81 80 L 8.29 4.54 0.00 1.69 1.68 0.91 0.94 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 81 L 7.75 4.37 0.00 1.67 1.59 0.94 0.89 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 82 P 0.00 4.51 0.00 2.22 2.21 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 83 E 8.42 4.86 0.00 1.95 1.89 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 2.22 2.20 0.00 84 P 0.00 4.69 0.00 2.28 2.27 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 85 L 7.87 3.84 0.00 1.79 1.88 0.93 0.71 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 86 Q 8.56 3.89 0.00 2.37 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 87 H 8.05 4.48 0.00 3.29 3.53 0.00 5.97 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.25 3.68 0.00 1.31 1.25 0.92 0.83 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 89 V 8.12 3.29 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 1.16 0.00 0.00 0.84 0.00 0.00 90 E 8.29 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.95 1.05 0.00 0.00 99 D 7.50 4.33 0.00 2.56 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 0.00 100 E 8.02 4.45 0.00 2.30 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 0.00 2.18 2.45 0.00 101 I 7.47 3.97 2.04 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 1.81 1.40 0.93 0.00 0.00 102 I 8.02 3.71 2.06 0.00 0.00 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 1.34 0.78 0.96 0.00 0.00 103 P 0.00 4.36 0.00 1.89 2.01 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.23 0.00 104 L 7.69 3.91 0.00 1.84 1.68 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.23 4.06 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.52 4.00 1.90 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 1.51 0.97 0.87 0.00 0.00 107 V 7.46 3.86 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 0.53 0.00 0.00 0.72 0.00 0.00 108 N 8.26 4.27 0.00 2.81 2.85 0.00 0.00 6.44 7.40 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 0.00 109 V 7.18 3.56 2.37 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 0.40 0.00 0.00 1.03 0.00 0.00 110 Y 8.05 4.47 0.00 3.13 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 0.00 111 G 8.11 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 0.00 112 S 8.61 4.19 0.00 4.10 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 0.00 113 I 7.94 3.88 2.00 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 1.62 0.69 1.05 0.00 0.00 114 G 7.91 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 0.00 115 L 7.97 4.11 0.00 2.00 1.85 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.22 4.01 4.57 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 1.24 0.00 0.00 117 N 8.64 4.55 0.00 2.96 2.98 0.00 0.00 6.67 8.85 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 0.00 118 F 8.56 4.47 0.00 2.98 3.45 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 0.00 119 G 8.13 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 0.00 120 Y 8.04 4.06 0.00 3.10 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 0.00 121 L 7.93 3.99 0.00 1.78 1.71 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 122 D 7.51 4.25 0.00 2.17 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 0.00 123 K 7.59 4.32 0.00 1.66 1.66 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 124 E 7.18 4.02 0.00 1.16 1.61 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 2.03 1.97 0.00 125 K 8.22 4.25 0.00 1.70 1.72 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.31 7.81 126 I 7.70 4.64 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 0.96 0.00 0.00 127 G 8.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.35 3.85 1.88 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 1.64 1.42 0.92 0.00 0.00 129 I 7.47 3.76 2.14 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 1.55 0.67 0.90 0.00 0.00 130 K 7.68 4.08 0.00 1.76 1.79 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 131 E 8.09 3.97 0.00 1.96 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 2.31 2.36 0.00 132 L 7.93 3.96 0.00 1.96 1.74 0.89 1.42 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 0.00 133 D 8.02 4.79 0.00 2.93 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 0.00 134 E 7.11 4.59 0.00 1.98 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 2.26 2.17 0.00 135 S 7.76 3.90 0.00 4.06 4.01 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 0.00 136 P 0.00 4.72 0.00 2.29 2.21 0.00 3.44 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 137 D 8.14 4.34 0.00 3.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.80 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 0.00 0.00 0.00 139 I 8.09 4.35 2.09 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 1.38 0.92 0.99 0.00 0.00 140 H 8.41 5.25 0.00 3.30 3.47 0.00 5.46 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 8.39 3.70 4.33 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 0.90 0.00 0.00 142 F 9.18 4.31 0.00 3.39 3.20 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 0.00 143 L 8.23 4.08 0.00 2.00 1.76 0.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.22 4.43 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.05 4.66 0.00 2.98 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 0.00 146 I 7.97 3.68 2.22 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.95 0.00 0.00 147 V 8.21 3.65 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 1.12 0.00 0.00 1.02 0.00 0.00 148 A 8.14 4.05 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.94 3.90 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 0.00 150 L 8.41 3.82 0.00 1.65 1.69 0.92 0.62 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 0.00 151 A 8.40 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 0.00 152 A 8.33 3.99 1.51 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 0.00 0.00 153 A 8.16 3.72 0.77 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 0.00 0.00 154 A 7.80 3.72 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 0.00 155 A 8.17 3.94 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 0.00 156 S 7.57 4.43 0.00 4.01 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 0.00 157 R 8.27 4.15 0.00 1.77 1.95 0.00 3.48 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 158 I 7.51 4.01 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.12 0.62 0.00 0.00 159 A 7.88 4.16 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 0.00 160 H 8.36 4.49 0.00 3.37 3.42 0.00 5.80 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.61 4.40 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 162 H 7.78 4.13 0.00 3.23 3.38 0.00 5.88 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 0.00 163 Q 7.65 4.40 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 164 D 7.90 4.40 0.00 3.01 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 0.00 165 L 8.24 4.01 0.00 1.74 1.68 0.78 0.85 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 0.00 166 Q 7.72 4.20 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.