NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4965 8.3231 115.5488 58.1781 64.4002 173.0262 3 G 3.9111 8.7585 109.2913 44.8368 0.0000 171.5706 4 K 4.7797 9.2363 120.4265 54.3502 35.7116 173.5792 5 L 4.7228 9.3863 125.6393 53.6593 44.3703 175.0057 6 T 4.8426 7.8080 123.2952 61.7489 70.8668 173.6424 7 V 4.8438 8.7257 126.4972 61.1556 34.4965 174.0249 8 I 4.9296 8.8032 129.4273 60.3242 38.9256 174.8715 9 T 5.3348 9.4593 121.8647 59.7686 71.5921 173.0853 10 G 4.1665 8.1529 110.4058 43.7812 0.0000 170.0394 11 P 4.5205 0.0000 0.0000 61.5794 32.5724 175.6230 12 M 3.8085 8.0242 118.2596 56.9887 31.9841 176.2646 13 Y 3.7991 8.1124 118.1210 59.3129 35.0676 170.2723 14 S 4.7696 7.7583 111.6922 57.4668 63.9001 174.4093 15 G 3.9761 8.2075 109.4348 46.5466 0.0000 176.0138 16 K 4.0417 8.2507 121.4228 59.4352 32.0427 179.1220 17 T 4.0805 7.8807 109.7995 64.7265 69.1237 176.7874 18 T 3.8888 7.8848 112.2393 64.1864 68.8038 176.2204 19 E 3.7814 8.2497 122.3662 59.1056 29.7302 178.0831 20 L 4.2554 8.0694 120.5064 58.5485 42.1368 178.8902 21 L 4.0177 8.2442 118.7544 57.5920 40.5097 178.7963 22 S 3.8955 7.6582 114.6570 61.6341 62.3400 175.8589 23 F 4.2745 7.3917 120.3103 60.4578 38.6107 177.5515 24 V 2.3550 7.3897 117.7677 65.9777 31.1346 177.7355 25 E 3.8993 8.1007 117.9447 59.7436 29.3704 179.6382 26 I 3.7694 7.7145 119.1135 64.4377 37.0395 178.2441 27 Y 3.8235 8.2394 117.6249 60.9780 37.8236 178.2910 28 K 3.9354 8.1792 119.4371 59.4833 31.9336 179.0658 29 L 4.0789 7.9346 119.5662 57.9654 42.1271 178.5324 30 G 3.7367 7.8294 102.2615 44.2111 0.0000 173.3684 31 K 3.9843 7.7884 118.8923 57.3787 29.9430 175.7524 32 K 4.5130 8.0303 117.6304 55.2722 33.5538 177.1583 33 K 4.3035 8.7024 125.4741 56.5822 33.3452 175.9305 34 V 5.3548 8.5195 119.0375 59.5711 35.5536 174.6687 35 A 4.6612 9.1873 124.3393 50.1268 22.1376 175.1438 36 V 4.7641 7.9262 121.7032 61.0011 34.7317 174.2708 37 F 5.5984 9.3046 125.6675 55.6608 43.2380 173.9573 38 K 5.2326 9.1323 120.6917 54.1379 36.4692 174.3558 39 P 4.3999 0.0000 0.0000 62.4336 31.1743 176.1415 *59 E 3.8820 8.0887 116.4461 56.9049 29.4520 174.2341 60 A 4.7722 8.0542 125.0728 50.1669 22.2343 174.8723 61 H 4.3098 8.5361 118.6072 55.0398 30.2242 174.8047 62 V 4.7402 8.4238 124.4363 61.9882 31.6777 174.9079 63 I 4.8443 8.6700 121.6854 59.3672 40.3989 176.1465 64 E 4.2554 9.2982 124.3610 57.5544 30.4572 176.8180 65 R 4.9000 8.1909 116.4409 53.3862 33.5289 174.7622 66 P 4.0699 0.0000 0.0000 65.4634 31.4588 178.2125 67 E 4.1427 8.0025 115.7233 58.0439 29.4544 177.9342 68 E 4.2319 8.0940 118.3920 58.2436 29.5300 178.5896 69 M 3.6892 7.6099 119.5712 58.0474 31.8508 178.2056 70 R 3.8298 7.9835 118.4964 59.5368 29.8881 178.2373 71 K 3.8581 7.4066 117.9237 58.5344 32.0877 176.7888 72 Y 4.6737 7.7674 114.2644 57.4438 38.4837 174.9550 73 I 4.5060 7.5092 121.4647 59.6552 38.9174 175.3104 74 E 4.6518 8.6383 125.2594 54.1874 31.3623 176.7754 75 E 3.9325 8.8038 118.4485 59.6856 29.3375 178.1573 76 D 4.4695 8.0036 117.3573 56.4343 41.6991 176.5203 77 T 4.2156 7.8905 116.6444 64.0200 68.9595 174.0342 78 R 4.7037 9.0466 123.7538 55.8982 32.7494 175.7120 79 G 4.3600 8.1189 106.6254 44.3661 0.0000 171.6473 80 V 5.1079 8.4930 124.7178 61.0047 34.6960 174.1165 81 F 5.2510 9.4698 126.0770 55.7506 42.3962 174.0625 82 I 5.1554 9.2819 124.3334 59.6842 40.3565 174.0698 83 D 5.1236 9.2380 126.8979 52.6965 43.4824 175.4899 84 E 3.8547 8.6726 120.5743 57.4131 27.4488 177.1704 85 V 4.2609 7.7487 112.0984 63.9700 32.1842 179.2264 86 Q 3.8428 7.6593 117.0463 58.5565 28.2143 177.4689 87 F 4.5991 7.4281 116.0558 58.8230 39.3848 176.1600 88 F 4.5361 7.5339 118.6141 56.7320 39.6385 175.1294 89 N 4.6811 8.6747 119.7940 52.8027 39.1751 174.7127 90 P 4.5680 0.0000 0.0000 64.2575 31.3606 178.6587 91 S 4.2936 8.1508 113.5889 60.7520 62.6499 175.8827 92 L 3.8801 8.0551 124.5907 57.7636 41.7125 178.0328 93 F 3.9551 8.3218 120.8437 61.9365 39.1907 177.3059 94 E 3.9744 8.2742 117.1617 59.4478 29.4850 179.7211 95 V 3.5889 7.5981 112.4330 64.1893 31.5297 178.8684 96 V 3.4559 7.8877 118.3532 65.7065 31.3548 177.9891 97 K 3.6972 7.7755 119.4266 59.3844 32.0465 178.2661 98 D 4.2490 7.9712 118.3904 57.2839 41.1580 178.2462 99 L 3.9812 7.6989 119.0377 57.5788 41.5710 179.4333 100 L 4.0368 7.9225 118.9753 58.0691 41.3758 179.3915 101 D 4.5362 7.7946 117.3267 57.0445 40.7887 178.1539 102 R 4.3256 7.6477 115.6374 55.9577 30.2160 177.0893 103 G 3.8361 7.8191 106.5067 45.7871 0.0000 172.9152 104 I 4.3739 8.0396 121.4873 59.4521 38.8107 175.2249 105 D 4.6186 8.7318 127.4745 54.3115 42.2562 175.5827 106 V 4.5904 8.3450 122.0247 60.9811 35.0159 174.0323 107 F 5.1273 8.8665 126.1324 55.8004 42.1102 173.9617 108 C 5.4772 9.0870 120.3370 57.8434 32.3395 172.7976 109 A 5.2015 8.8346 125.0580 50.3337 21.6847 175.4053 110 G 4.2136 8.4334 107.8125 45.2790 0.0000 172.4820 111 L 4.7925 9.0503 121.4700 54.1684 41.6788 177.6954 112 D 4.6900 8.9571 123.1120 55.3445 41.0087 176.4418 113 L 5.0358 7.7686 116.9398 52.3572 45.4337 176.1514 114 T 3.9071 8.0674 113.2681 61.1550 69.3316 174.9756 115 H 5.1074 8.5367 115.9077 57.3181 28.6098 176.1441 116 K 4.4604 7.7489 118.1609 55.6588 32.1896 175.8579 117 Q 3.4545 7.8929 116.8416 57.1752 26.6845 173.2298 118 N 4.8594 7.6582 113.9156 50.5884 40.7649 173.5857 119 P 4.6678 0.0000 0.0000 62.5860 32.2859 176.1232 120 F 4.4763 8.5847 121.0558 56.8792 39.8363 176.6933 121 E 3.9736 9.0396 126.3620 59.7315 29.5601 179.0242 122 T 4.0037 7.9374 115.3887 66.7784 68.5057 176.8897 123 T 3.9062 7.9503 117.1627 66.3164 68.7199 176.3007 124 A 4.0069 8.1515 122.7625 55.3733 17.9925 179.6035 125 L 3.9328 8.0288 117.1568 58.1298 41.7821 179.9064 126 L 4.1722 8.0955 118.7632 57.8064 41.2722 179.6188 127 L 4.0776 8.0297 118.5559 57.7919 41.5660 179.3842 128 S 4.2947 7.9173 114.1752 60.9916 62.8428 175.7036 129 L 4.2094 7.4692 120.3016 55.5840 42.4139 176.9229 130 A 4.1406 7.0820 121.0386 52.5265 18.9764 177.0728 131 D 4.5591 8.8407 122.2225 56.7762 41.7990 177.4170 132 T 4.6306 7.6879 114.1627 61.4904 72.2643 173.1532 133 V 4.7330 8.5037 125.5286 61.1489 33.9000 174.4317 134 I 4.4658 9.2859 129.9264 59.6848 39.2246 174.6884 135 K 5.0063 8.7057 127.2974 55.0593 33.0496 176.2887 136 K 4.6370 9.3932 126.2157 55.0324 33.4427 176.3476 137 K 4.7144 8.5385 121.7324 54.7437 35.4750 174.9397 138 A 4.8230 8.2842 123.5584 49.7097 22.6874 175.8332 139 V 4.2610 8.3943 119.2310 63.0872 32.5709 175.1595 140 C 4.4861 9.2460 129.3288 59.3804 31.7968 173.9181 141 H 4.1122 9.5351 127.3578 59.1288 29.8213 176.4960 142 R 4.1104 8.0748 118.8358 58.8577 30.1793 176.7854 143 C 4.2894 8.0528 109.9846 58.0807 30.4505 174.6091 144 G 3.9600 8.2244 108.4613 45.4325 0.0000 173.6312 145 E 4.3422 7.6961 119.1382 55.9897 30.5892 175.6528 146 Y 4.3819 8.2861 123.5271 56.3061 37.0638 175.3682 147 N 4.6991 7.7313 113.7017 52.9098 39.6131 174.8508 148 A 4.4702 8.0347 123.7625 52.3200 19.2755 178.4113 149 T 4.6659 8.4841 110.9029 61.0227 70.5281 173.4524 150 L 4.9836 8.3226 121.8244 53.3058 46.4919 175.2162 151 T 5.1754 8.5088 116.2379 61.8385 71.8007 172.9829 152 L 5.1577 9.5254 127.8954 53.0310 45.4841 175.3539 153 K 4.1375 8.7940 126.9146 56.7577 32.8915 173.3616 154 V 2.9210 8.1625 128.3603 61.3575 29.0575 171.9942 *168 K 4.2407 7.9774 126.8773 55.0777 33.6560 172.0086 169 Y 5.3603 8.6690 119.1955 56.1138 41.5657 175.0636 170 I 4.9230 8.9486 121.3170 59.6348 42.0460 174.0335 171 A 5.2879 8.7395 126.3194 50.8263 21.1929 176.4559 172 V 4.9191 8.8420 114.8707 59.5640 36.8925 175.2169 173 C 4.6183 8.5707 117.4166 57.3316 31.2177 174.8283 174 R 3.8496 8.5680 119.0089 59.6443 29.7015 177.8795 175 D 4.4088 8.0986 118.1250 57.8085 40.9389 178.5546 176 C 4.2107 8.0986 116.5982 62.8158 28.0344 175.1687 177 Y 3.9757 8.3429 121.3702 61.0858 38.1260 178.2723 178 N 4.5765 8.4010 116.1684 56.1380 38.7310 176.9791 179 T 4.2009 7.8021 109.4769 63.2867 69.3750 176.0240 180 L 4.3769 8.9066 122.5777 55.3568 42.2314 177.1942 *181 K 4.0737 7.2294 125.2933 54.0253 33.9533 180.2294 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.32 4.50 0.00 3.85 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 3 G 8.76 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 4 K 9.24 4.78 0.00 1.56 1.54 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.29 7.81 5 L 9.39 4.72 0.00 1.50 1.34 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.81 4.84 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 1.09 0.00 0.00 7 V 8.73 4.84 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 0.99 0.00 0.00 0.94 0.00 0.00 8 I 8.80 4.93 1.98 0.00 0.00 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 1.37 0.62 1.02 0.00 0.00 9 T 9.46 5.33 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 1.23 0.00 0.00 10 G 8.15 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 0.00 0.00 0.00 11 P 0.00 4.52 0.00 2.24 2.23 0.00 3.93 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 2.01 2.15 0.00 12 M 8.02 3.81 0.00 1.05 1.80 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.21 0.00 13 Y 8.11 3.80 0.00 3.23 3.10 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 14 S 7.76 4.77 0.00 3.96 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 15 G 8.21 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.25 4.04 0.00 1.82 1.90 0.00 1.74 0.00 0.00 2.07 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.51 7.81 17 T 7.88 4.08 4.38 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 1.33 0.00 0.00 18 T 7.88 3.89 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 1.22 0.00 0.00 19 E 8.25 3.78 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 20 L 8.07 4.26 0.00 2.09 2.00 1.24 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.24 4.02 0.00 1.84 1.80 0.88 0.81 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 22 S 7.66 3.90 0.00 3.87 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 0.00 23 F 7.39 4.27 0.00 3.00 2.45 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 24 V 7.39 2.35 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 0.62 0.00 0.00 0.01 0.00 0.00 25 E 8.10 3.90 0.00 2.17 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 2.26 2.50 0.00 26 I 7.71 3.77 2.19 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 1.54 1.26 0.97 0.00 0.00 27 Y 8.24 3.82 0.00 3.31 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.18 3.94 0.00 1.89 1.84 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.39 7.81 29 L 7.93 4.08 0.00 1.89 1.84 0.91 0.98 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 30 G 7.83 3.74 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 0.00 0.00 0.00 31 K 7.79 3.98 0.00 1.95 1.95 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.53 7.81 32 K 8.03 4.51 0.00 1.80 1.94 0.00 1.39 0.00 0.00 0.99 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.31 7.81 33 K 8.70 4.30 0.00 1.90 1.89 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.53 7.81 34 V 8.52 5.35 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 0.91 0.00 0.00 0.88 0.00 0.00 35 A 9.19 4.66 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 36 V 7.93 4.76 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 1.05 0.00 0.00 0.78 0.00 0.00 37 F 9.30 5.60 0.00 3.02 2.97 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 38 K 9.13 5.23 0.00 1.85 1.94 0.00 1.33 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.40 7.81 39 P 0.00 4.40 0.00 1.80 0.83 0.00 3.42 0.00 0.00 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 *59 E 8.09 3.88 0.00 2.02 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 2.05 2.17 0.00 60 A 8.05 4.77 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.54 4.31 0.00 2.97 2.76 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.42 4.74 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 0.81 0.00 0.00 0.93 0.00 0.00 63 I 8.67 4.84 2.12 0.00 0.00 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 1.46 1.25 1.16 0.00 0.00 64 E 9.30 4.26 0.00 2.01 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 2.29 2.27 0.00 65 R 8.19 4.90 0.00 2.05 1.80 0.00 3.22 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 66 P 0.00 4.07 0.00 2.10 1.91 0.00 3.64 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 67 E 8.00 4.14 0.00 1.94 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 2.32 2.27 0.00 68 E 8.09 4.23 0.00 2.27 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 2.38 2.39 0.00 69 M 7.61 3.69 0.00 1.32 1.76 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.13 0.00 70 R 7.98 3.83 0.00 1.82 1.89 0.00 3.15 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 71 K 7.41 3.86 0.00 1.41 1.42 0.00 1.13 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.92 1.24 7.81 72 Y 7.77 4.67 0.00 3.33 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.51 4.51 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.01 0.96 0.00 0.00 74 E 8.64 4.65 0.00 2.13 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 0.00 2.28 2.29 0.00 75 E 8.80 3.93 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 76 D 8.00 4.47 0.00 2.67 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 77 T 7.89 4.22 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 1.36 0.00 0.00 78 R 9.05 4.70 0.00 1.89 2.07 0.00 3.29 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 79 G 8.12 4.36 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 0.00 80 V 8.49 5.11 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 1.28 0.00 0.00 1.03 0.00 0.00 81 F 9.47 5.25 0.00 2.92 2.93 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 82 I 9.28 5.16 1.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 0.92 0.00 0.00 83 D 9.24 5.12 0.00 2.76 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 84 E 8.67 3.85 0.00 2.26 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 2.29 2.35 0.00 85 V 7.75 4.26 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 0.94 0.00 0.00 0.99 0.00 0.00 86 Q 7.66 3.84 0.00 0.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.04 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 87 F 7.43 4.60 0.00 2.90 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 88 F 7.53 4.54 0.00 3.26 2.97 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 89 N 8.67 4.68 0.00 2.84 2.80 0.00 0.00 6.88 8.03 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 90 P 0.00 4.57 0.00 2.17 2.10 0.00 3.65 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 2.13 2.18 0.00 91 S 8.15 4.29 0.00 4.06 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 92 L 8.06 3.88 0.00 1.81 1.72 0.56 0.61 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 93 F 8.32 3.96 0.00 3.19 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 94 E 8.27 3.97 0.00 2.06 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 2.58 2.42 0.00 95 V 7.60 3.59 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 0.85 0.00 0.00 0.76 0.00 0.00 96 V 7.89 3.46 1.97 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 0.80 0.00 0.00 0.83 0.00 0.00 97 K 7.78 3.70 0.00 1.42 1.69 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.66 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.46 1.27 7.81 98 D 7.97 4.25 0.00 2.79 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 99 L 7.70 3.98 0.00 1.78 1.63 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.92 4.04 0.00 1.80 1.61 0.75 0.83 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 0.00 101 D 7.79 4.54 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 0.00 102 R 7.65 4.33 0.00 1.94 1.95 0.00 3.18 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 103 G 7.82 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 0.00 104 I 8.04 4.37 1.93 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 1.24 1.04 0.94 0.00 0.00 105 D 8.73 4.62 0.00 2.88 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.34 4.59 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 0.82 0.00 0.00 0.85 0.00 0.00 107 F 8.87 5.13 0.00 2.60 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 9.09 5.48 0.00 2.83 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 0.00 109 A 8.83 5.20 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 0.00 110 G 8.43 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.05 4.79 0.00 1.15 1.74 0.70 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.96 4.69 0.00 2.82 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.77 5.04 0.00 1.55 1.44 0.84 0.76 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 0.00 114 T 8.07 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 115 H 8.54 5.11 0.00 3.51 3.68 0.00 5.12 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.75 4.46 0.00 1.79 1.85 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.12 7.81 117 Q 7.89 3.45 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.67 0.00 0.00 0.00 0.00 0.00 2.00 1.80 0.00 118 N 7.66 4.86 0.00 2.58 2.57 0.00 0.00 7.08 7.47 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 0.00 119 P 0.00 4.67 0.00 1.99 1.95 0.00 3.58 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 120 F 8.58 4.48 0.00 3.19 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 0.00 121 E 9.04 3.97 0.00 2.06 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 2.37 2.38 0.00 122 T 7.94 4.00 4.39 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 1.34 0.00 0.00 123 T 7.95 3.91 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 1.23 0.00 0.00 124 A 8.15 4.01 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 0.00 125 L 8.03 3.93 0.00 1.80 1.68 0.84 0.26 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 0.00 126 L 8.10 4.17 0.00 1.86 1.72 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.03 4.08 0.00 1.81 1.75 0.94 1.21 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 0.00 128 S 7.92 4.29 0.00 4.19 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 0.00 129 L 7.47 4.21 0.00 1.70 1.76 0.65 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.08 4.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.84 4.56 0.00 2.56 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 0.00 132 T 7.69 4.63 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 1.22 0.00 0.00 133 V 8.50 4.73 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 0.83 0.00 0.00 0.92 0.00 0.00 134 I 9.29 4.47 1.98 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.96 1.02 0.00 0.00 135 K 8.71 5.01 0.00 1.65 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 136 K 9.39 4.64 0.00 1.61 1.96 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.18 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.61 7.81 137 K 8.54 4.71 0.00 0.94 0.99 0.00 1.38 0.00 0.00 1.71 0.00 0.00 2.48 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.26 7.81 138 A 8.28 4.82 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 0.00 139 V 8.39 4.26 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 0.87 0.00 0.00 1.12 0.00 0.00 140 C 9.25 4.49 0.00 3.18 2.83 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 0.00 141 H 9.54 4.11 0.00 3.16 3.35 0.00 5.99 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.07 4.11 0.00 1.85 1.95 0.00 3.29 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 143 C 8.05 4.29 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.22 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 0.00 145 E 7.70 4.34 0.00 2.24 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 2.42 2.26 0.00 146 Y 8.29 4.38 0.00 2.86 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 N 7.73 4.70 0.00 2.79 2.81 0.00 0.00 6.30 7.26 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 0.00 148 A 8.03 4.47 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 0.00 149 T 8.48 4.67 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 1.16 0.00 0.00 150 L 8.32 4.98 0.00 1.81 1.56 0.58 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.51 5.18 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 1.26 0.00 0.00 152 L 9.53 5.16 0.00 1.75 1.51 0.32 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.79 4.14 0.00 1.51 1.54 0.00 1.77 0.00 0.00 1.44 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.11 0.80 7.81 154 V 8.16 2.92 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 0.49 0.00 0.00 0.85 0.00 0.00 *168 K 7.98 4.24 0.00 1.47 1.73 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 169 Y 8.67 5.36 0.00 2.95 2.95 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 0.00 170 I 8.95 4.92 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.56 0.95 0.00 0.00 171 A 8.74 5.29 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 0.00 172 V 8.84 4.92 2.21 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 0.91 0.00 0.00 1.16 0.00 0.00 173 C 8.57 4.62 0.00 3.12 3.35 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 0.00 174 R 8.57 3.85 0.00 1.87 1.96 0.00 3.16 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 175 D 8.10 4.41 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 0.00 176 C 8.10 4.21 0.00 3.03 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 0.00 177 Y 8.34 3.98 0.00 3.24 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 N 8.40 4.58 0.00 2.97 2.93 0.00 0.00 7.11 7.10 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 0.00 179 T 7.80 4.20 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 1.28 0.00 0.00 180 L 8.91 4.38 0.00 1.60 1.66 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *181 K 7.23 4.07 0.00 1.82 1.75 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.18 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.