NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 I 4.1263 7.8833 120.7959 61.1360 39.8328 177.3848 6 S 4.3492 8.0858 114.6048 60.3335 62.8146 173.3705 7 D 4.4237 8.8381 120.0843 55.6125 42.0212 176.4390 8 F 4.8244 8.0886 117.3245 57.4145 39.9083 177.0023 9 Y 3.4926 8.1109 120.4201 61.1837 37.6661 177.9534 10 Q 4.1588 8.2308 118.3673 59.5370 28.8490 179.3262 11 T 3.9284 7.8999 115.8964 66.7772 68.6503 176.3985 12 F 4.6246 8.1900 123.8052 60.6865 39.3256 177.1739 13 F 4.4416 8.3096 118.0343 60.5860 38.5512 177.3010 14 D 4.3736 8.3547 118.4779 57.5086 40.1774 178.7368 15 E 3.9464 8.2721 118.7149 59.3600 29.4121 179.3313 16 A 3.8253 8.0693 121.0980 55.0327 18.3596 179.2185 17 D 4.2529 7.9907 117.4038 57.5672 40.8778 178.8313 18 E 3.9064 7.8805 119.3894 59.3724 29.4702 178.8447 19 L 3.9938 7.8952 117.8754 57.7458 41.7174 179.2595 20 L 4.1200 8.1163 118.2868 57.6885 41.8757 179.0781 21 A 4.1896 8.0502 120.7436 55.0265 18.2887 179.8441 22 D 4.2739 8.1538 116.4492 54.5748 40.9566 178.3516 *24 E 4.2217 8.1499 121.5311 56.3717 31.7054 177.2900 25 Q 3.9813 8.0626 119.1266 59.6735 28.7488 178.1837 26 H 4.3151 8.0827 115.9139 58.9373 28.9295 177.4425 27 L 4.2262 7.9874 120.3002 57.8856 41.2673 179.4709 28 L 4.0806 7.9717 118.1121 57.4919 41.6551 177.7531 29 D 4.6841 7.7915 115.7160 54.2184 41.1140 176.2238 30 L 4.2103 7.4607 122.1511 54.4260 42.9228 176.8316 31 V 4.1569 8.0442 125.0190 60.2320 31.0256 174.2241 32 P 4.2272 0.0000 0.0000 66.0387 30.7928 177.5593 33 E 4.4686 8.0825 115.1363 56.2374 29.9873 177.6293 34 S 4.6831 7.7842 113.8863 56.5730 65.1469 173.9050 35 P 4.2823 0.0000 0.0000 62.6242 32.0937 176.5627 36 D 4.3830 8.7802 121.6559 53.8064 42.0388 176.1014 37 A 3.9824 8.8034 129.6340 55.8779 18.2957 179.1247 38 E 3.9745 8.2392 116.0967 59.4248 29.7155 179.4595 39 Q 3.9060 9.1087 118.6554 58.7832 28.6998 178.4605 40 L 4.0063 8.1900 121.5558 58.1809 42.1152 178.6692 41 N 4.3335 8.2502 116.1850 56.4857 38.5682 177.2167 42 A 4.1502 8.2249 122.0778 55.1175 18.3599 179.8809 43 I 3.7039 7.6359 118.0606 64.3577 37.2551 178.2438 44 F 3.9287 8.4354 121.7143 61.2792 39.2020 176.9465 45 R 3.8969 8.6859 118.4307 59.4359 29.8430 178.1526 46 A 3.9611 7.9562 120.0530 55.1984 18.3537 179.4337 47 A 3.8576 7.7741 119.1657 55.5296 18.4450 179.2316 48 H 3.8070 8.1387 117.1020 59.4261 29.9609 177.4059 49 S 4.0885 8.4545 115.2823 61.3338 62.1494 176.2293 50 I 3.9815 7.9723 122.5970 64.2427 36.8420 178.0960 51 K 3.9945 8.4517 121.0496 59.6465 31.9518 178.9387 52 G 3.5731 7.9900 105.8756 47.6422 0.0000 175.8584 53 G 3.0884 7.9709 107.7684 47.2691 0.0000 175.5180 54 A 4.1713 8.3919 124.1106 54.8158 17.9914 179.9412 55 G 3.4645 8.1667 104.2117 47.9465 0.0000 176.0606 56 T 3.5315 7.3921 117.1836 65.8942 68.4910 175.9748 57 F 3.9617 7.3392 116.2724 56.5914 39.0379 176.1491 58 G 3.7630 7.2207 106.2370 47.0623 0.0000 175.8326 59 F 4.7081 7.7611 120.4788 55.3157 36.0692 175.6065 60 T 3.9466 8.1013 120.0340 66.9705 68.8326 175.6036 61 I 3.0061 7.7372 120.6161 64.1199 37.0351 178.2057 62 L 4.9244 8.0476 122.1349 57.6775 41.7426 178.7237 63 Q 4.0176 8.5774 119.9209 59.2465 29.0514 177.9418 64 E 4.1627 8.5177 120.3641 59.6693 29.5348 178.7196 65 T 4.0404 8.0690 114.5719 67.2745 68.6516 176.4224 66 T 4.0956 8.1756 116.6215 66.5938 68.6882 176.0345 67 H 4.4399 8.6192 120.5819 59.2401 29.4132 178.4228 68 L 4.1786 7.7869 118.7652 55.0865 41.2613 178.6938 *70 E 4.1799 8.1768 121.8266 56.3663 31.6238 177.1579 71 N 4.3695 8.6159 116.6036 56.6668 38.5854 177.3394 72 L 4.1179 7.7082 119.2894 57.8734 41.7244 179.5191 73 L 4.1138 7.9789 118.4548 57.7975 41.4963 179.1705 74 D 4.2462 8.5873 118.9750 57.6290 40.8845 178.5073 75 E 4.1372 8.1098 118.3060 59.5951 29.1656 179.4519 76 A 4.0143 7.8450 120.2354 55.2097 18.7022 179.7683 77 R 3.9944 8.0786 113.4714 59.4250 29.4921 178.1900 78 R 4.0735 8.2537 120.4728 57.0475 30.2471 176.3563 79 G 4.0845 8.4013 118.8774 45.6421 0.0000 173.3785 80 E 3.8213 7.8646 120.5347 58.7716 29.7070 176.5934 *82 Q 4.0708 7.6735 118.4327 55.8650 29.9083 173.6208 83 L 4.7094 8.0101 121.1057 53.4778 44.4698 175.2487 84 N 4.7940 7.7023 114.8343 51.8219 39.4232 174.8860 85 T 3.9794 8.4513 113.4817 67.0683 68.4895 176.6218 86 D 4.3083 8.1158 120.5554 57.3110 40.9232 178.6825 87 I 3.4898 8.5049 120.8259 64.2105 37.0751 178.5625 88 I 3.7765 7.5051 120.2492 64.3726 36.9080 178.2677 89 N 4.4169 8.3213 117.7064 56.0655 38.2431 177.2485 90 L 4.0576 7.7333 121.9218 57.9902 42.1604 178.9997 91 F 4.6773 8.0530 117.9923 60.6628 38.9097 177.6713 92 L 4.1107 8.2733 118.7627 57.6565 41.4222 179.1350 93 E 3.9901 8.3980 119.3845 59.5935 29.3779 178.9678 94 T 3.9691 8.2119 115.1953 66.5869 68.6029 176.1218 95 K 4.1057 7.9859 120.4762 59.5975 32.4981 178.3185 96 D 4.5710 8.0431 119.0392 57.2406 40.6534 179.5795 97 I 3.7655 7.7219 117.6310 61.9153 36.8580 177.7582 *99 Q 4.1981 8.0516 123.0646 56.2569 30.8896 177.1163 100 E 3.9164 8.2060 117.3016 59.2069 29.3086 179.3873 101 Q 3.7282 8.2676 118.4134 58.6959 28.8272 178.3601 102 L 4.0650 7.8615 120.7546 58.5422 42.2545 178.6136 103 D 4.1493 8.1969 118.4792 57.0919 40.5358 178.8250 104 A 3.8148 7.5284 121.2263 55.3297 18.3642 179.3268 105 Y 3.9338 7.2497 114.8095 61.0606 37.5754 178.8466 106 K 3.5790 7.5813 118.7052 58.6935 31.9894 177.9617 107 N 4.7397 7.4517 114.0377 52.1192 39.0152 174.9444 108 S 3.7304 7.7855 114.4254 59.6092 61.1563 171.9529 109 E 4.5366 8.4832 119.4742 54.3694 31.6153 174.1166 110 E 4.3876 8.1698 122.5043 53.5717 30.9588 173.9233 111 P 4.1595 0.0000 0.0000 61.9945 32.3191 175.9089 112 D 4.3718 8.3795 117.9354 54.0585 41.8405 176.5199 113 A 4.1794 8.7212 129.6508 55.1293 18.5080 178.6897 114 A 3.9900 8.0567 118.8065 55.8166 18.5361 179.9978 115 S 4.2255 8.7071 113.2926 61.3378 62.8645 176.7422 116 F 4.3738 8.1807 123.1417 61.6536 39.1952 177.1315 117 E 3.5661 8.3254 118.0699 59.1952 29.2130 178.7161 118 Y 3.8847 8.1490 119.6446 60.7902 38.8283 178.1361 119 I 3.6626 8.3147 119.9414 64.2082 38.0914 177.6575 120 C 4.0670 7.9725 117.7280 62.6660 27.7582 175.8458 121 N 4.2347 8.0143 118.0583 56.0800 38.2408 177.3584 122 A 3.7838 7.7046 122.2182 55.0823 18.4347 179.7315 123 L 4.0409 8.1678 117.7661 57.8079 41.4542 179.9194 124 R 3.9572 7.7943 117.5907 59.0553 30.2899 178.4618 125 Q 4.0493 8.3112 119.8014 59.0406 28.7872 177.9666 126 L 3.9259 7.8426 120.7853 58.1209 41.8728 178.8458 127 A 4.0418 7.6055 119.2988 54.7005 18.2688 179.5425 128 L 4.0597 7.5948 117.1621 58.0015 41.9606 177.0304 129 E 4.1179 7.3999 121.1808 56.9383 29.5120 177.0204 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 I 7.88 4.13 1.87 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 0.91 0.00 0.00 6 S 8.09 4.35 0.00 4.10 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 0.00 7 D 8.84 4.42 0.00 2.17 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 8 F 8.09 4.82 0.00 3.24 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 9 Y 8.11 3.49 0.00 2.93 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 10 Q 8.23 4.16 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 11 T 7.90 3.93 4.62 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 1.40 0.00 0.00 12 F 8.19 4.62 0.00 2.92 2.40 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 13 F 8.31 4.44 0.00 3.24 2.92 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 14 D 8.35 4.37 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.27 3.95 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 16 A 8.07 3.83 0.79 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 0.00 0.00 17 D 7.99 4.25 0.00 2.86 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 18 E 7.88 3.91 0.00 2.02 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 0.00 2.31 2.40 0.00 19 L 7.90 3.99 0.00 1.64 1.73 0.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.12 4.12 0.00 1.71 1.72 0.90 0.70 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 21 A 8.05 4.19 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 22 D 8.15 4.27 0.00 2.83 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 *24 E 8.15 4.22 0.00 2.04 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 2.29 2.33 0.00 25 Q 8.06 3.98 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 26 H 8.08 4.32 0.00 3.25 3.34 0.00 5.74 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 27 L 7.99 4.23 0.00 1.93 1.82 0.99 0.83 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 28 L 7.97 4.08 0.00 1.83 1.75 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.79 4.68 0.00 2.75 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 30 L 7.46 4.21 0.00 1.80 1.78 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.04 4.16 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 1.00 0.00 0.00 0.95 0.00 0.00 32 P 0.00 4.23 0.00 2.22 2.31 0.00 3.83 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 2.01 2.04 0.00 33 E 8.08 4.47 0.00 1.99 2.02 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 2.31 2.33 0.00 34 S 7.78 4.68 0.00 3.82 3.78 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 35 P 0.00 4.28 0.00 2.21 2.11 0.00 3.78 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 2.01 1.99 0.00 36 D 8.78 4.38 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.80 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.24 3.97 0.00 2.12 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 2.34 0.00 39 Q 9.11 3.91 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 40 L 8.19 4.01 0.00 1.90 1.83 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.25 4.33 0.00 3.00 2.89 0.00 0.00 6.93 7.18 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 42 A 8.22 4.15 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 43 I 7.64 3.70 2.05 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 1.46 0.78 0.85 0.00 0.00 44 F 8.44 3.93 0.00 3.09 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.69 3.90 0.00 2.09 2.15 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 46 A 7.96 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.77 3.86 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 48 H 8.14 3.81 0.00 2.42 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.45 4.09 0.00 4.02 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 50 I 7.97 3.98 2.08 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 1.79 0.81 1.10 0.00 0.00 51 K 8.45 3.99 0.00 1.87 1.87 0.00 1.63 0.00 0.00 1.96 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.66 7.81 52 G 7.99 3.57 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 0.00 0.00 0.00 53 G 7.97 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.39 4.17 1.53 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 55 G 8.17 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 0.00 0.00 0.00 56 T 7.39 3.53 3.71 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 0.35 0.00 0.00 57 F 7.34 3.96 0.00 1.51 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 0.00 0.00 0.00 58 G 7.22 3.76 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 0.00 0.00 0.00 59 F 7.76 4.71 0.00 3.03 2.40 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 60 T 8.10 3.95 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 61 I 7.74 3.01 1.70 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.50 0.32 0.00 0.00 62 L 8.05 4.92 0.00 2.12 2.12 1.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.58 4.02 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 64 E 8.52 4.16 0.00 2.32 2.34 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 2.74 2.63 0.00 65 T 8.07 4.04 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 66 T 8.18 4.10 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 1.25 0.00 0.00 67 H 8.62 4.44 0.00 3.32 3.61 0.00 5.78 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 68 L 7.79 4.18 0.00 1.78 1.67 0.90 0.81 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 *70 E 8.18 4.18 0.00 2.00 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 2.41 1.86 0.00 71 N 8.62 4.37 0.00 2.97 2.90 0.00 0.00 7.05 6.28 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 72 L 7.71 4.12 0.00 1.94 2.03 1.17 0.71 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 73 L 7.98 4.11 0.00 1.98 1.87 0.73 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.59 4.25 0.00 3.10 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 75 E 8.11 4.14 0.00 2.24 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 0.00 2.78 2.56 0.00 76 A 7.84 4.01 1.50 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 0.00 0.00 77 R 8.08 3.99 0.00 1.91 2.06 0.00 2.92 0.00 0.00 2.85 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.52 0.00 78 R 8.25 4.07 0.00 2.00 2.03 0.00 3.28 0.00 0.00 3.16 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 79 G 8.40 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.86 3.82 0.00 1.98 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 0.00 2.33 2.32 0.00 *82 Q 7.67 4.07 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 83 L 8.01 4.71 0.00 1.92 1.59 1.03 1.09 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 84 N 7.70 4.79 0.00 2.88 2.89 0.00 0.00 5.94 7.22 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 85 T 8.45 3.98 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 86 D 8.12 4.31 0.00 2.80 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 87 I 8.50 3.49 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.27 0.00 0.00 88 I 7.51 3.78 2.02 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 1.79 1.19 0.98 0.00 0.00 89 N 8.32 4.42 0.00 2.90 2.87 0.00 0.00 6.62 7.45 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 90 L 7.73 4.06 0.00 1.72 1.63 0.96 0.94 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 91 F 8.05 4.68 0.00 3.34 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 92 L 8.27 4.11 0.00 1.93 1.76 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.40 3.99 0.00 2.18 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 2.40 2.40 0.00 94 T 8.21 3.97 4.56 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 0.00 0.00 1.30 0.00 0.00 95 K 7.99 4.11 0.00 1.88 2.09 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.65 7.81 96 D 8.04 4.57 0.00 3.01 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 97 I 7.72 3.77 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 1.01 0.00 0.00 *99 Q 8.05 4.20 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.55 0.00 100 E 8.21 3.92 0.00 2.18 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 0.00 2.28 2.31 0.00 101 Q 8.27 3.73 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.64 0.00 102 L 7.86 4.07 0.00 1.78 1.77 1.10 1.19 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 0.00 103 D 8.20 4.15 0.00 2.72 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 0.00 104 A 7.53 3.81 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.25 3.93 0.00 2.88 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 0.00 106 K 7.58 3.58 0.00 1.54 1.43 0.00 1.31 0.00 0.00 1.24 0.00 0.00 2.54 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.77 7.81 107 N 7.45 4.74 0.00 2.61 2.75 0.00 0.00 7.14 7.49 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 0.00 108 S 7.79 3.73 0.00 3.99 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 0.00 109 E 8.48 4.54 0.00 1.92 1.68 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 2.17 2.16 0.00 110 E 8.17 4.39 0.00 1.90 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 2.22 2.31 0.00 111 P 0.00 4.16 0.00 1.99 1.64 0.00 3.54 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.28 0.00 112 D 8.38 4.37 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.72 4.18 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 A 8.06 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 0.00 115 S 8.71 4.23 0.00 3.95 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 0.00 116 F 8.18 4.37 0.00 3.15 3.38 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 0.00 117 E 8.33 3.57 0.00 2.07 1.91 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 2.16 2.53 0.00 118 Y 8.15 3.88 0.00 3.05 3.14 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 0.00 119 I 8.31 3.66 2.12 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 1.63 1.38 1.06 0.00 0.00 120 C 7.97 4.07 0.00 2.64 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 0.00 121 N 8.01 4.23 0.00 2.72 2.70 0.00 0.00 6.85 7.59 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 0.00 122 A 7.70 3.78 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.17 4.04 0.00 1.69 1.77 0.99 1.39 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 0.00 124 R 7.79 3.96 0.00 1.94 1.95 0.00 3.18 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 125 Q 8.31 4.05 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 126 L 7.84 3.93 0.00 1.88 1.82 0.78 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 0.00 127 A 7.61 4.04 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 0.00 128 L 7.59 4.06 0.00 1.86 1.72 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 129 E 7.40 4.12 0.00 2.01 1.88 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 2.34 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.