NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6272 8.2233 120.1962 53.8382 42.7097 176.2192 3 D 4.3116 8.4434 121.6928 56.3229 40.6645 177.5430 4 R 3.9229 8.1344 119.1919 59.1902 30.6351 177.7225 5 L 3.9564 7.9295 119.7348 58.1385 41.9012 178.5597 6 F 4.2066 8.1552 119.2906 61.5108 39.4547 177.0329 7 R 3.9131 7.9454 116.4205 59.1577 29.9018 178.4329 8 N 4.4062 8.3979 115.6572 56.1075 38.7592 177.7171 9 A 4.0721 7.8802 118.2381 53.0522 18.0920 179.1712 *11 G 3.6821 8.0619 110.2820 46.5193 0.0000 175.4758 12 K 3.7717 7.8706 118.0341 57.6400 32.2645 176.6831 13 F 4.6563 8.0191 121.3489 56.5407 39.1554 174.8050 14 A 4.7301 8.0931 130.4899 52.2892 19.2196 176.0403 15 T 4.5602 8.6913 109.6655 59.9377 73.1773 174.0203 16 G 4.1960 8.5300 109.1990 44.9977 0.0000 172.5196 17 V 4.7880 8.3472 118.2450 61.2366 34.9463 174.9823 18 T 5.1181 8.8640 116.5972 59.9666 72.8543 172.4921 19 V 4.4661 8.5054 122.0966 61.1005 34.1619 174.3450 20 I 4.7346 8.1782 128.7522 60.7445 38.7779 174.8293 21 T 5.1517 9.0677 116.7436 60.4268 72.3247 172.6269 22 T 4.8754 8.7366 116.8181 61.0543 71.9380 171.4798 23 E 5.0570 8.6023 124.0776 54.1126 32.3650 174.6068 24 L 4.5565 8.7889 128.0735 54.4521 44.9037 175.3468 25 N 4.4694 9.9320 121.7648 54.4133 35.6308 173.8869 26 G 4.1487 8.0556 108.4579 45.4627 0.0000 171.9263 27 A 4.3891 7.7460 122.1372 50.7814 20.1553 175.7255 28 V 4.4320 7.8936 121.4153 61.7141 32.9441 174.7811 29 H 4.9895 9.1804 124.8490 54.2141 32.2758 173.2339 30 G 4.8273 8.4893 108.1342 44.7337 0.0000 171.1873 *32 T 4.3901 8.4165 114.7969 63.3842 69.7345 173.5446 33 A 4.7224 8.8558 128.2638 50.6333 22.2248 175.9574 34 N 4.9774 8.7987 116.9285 52.5592 38.9951 175.5517 35 A 4.4367 7.7174 123.9624 50.8965 17.2346 175.4751 36 F 5.3811 7.6788 122.2155 55.0736 43.4370 173.4146 *38 S 4.0187 8.2856 115.8000 58.1291 62.6845 171.6676 39 V 4.1714 8.2005 124.9744 63.6543 33.5362 175.1804 40 S 4.7182 7.4779 113.0017 56.3368 65.6773 174.2617 41 L 3.9812 8.6523 127.7851 56.9338 42.3215 176.5659 42 N 4.8132 7.8250 118.1691 50.5663 39.8693 172.4516 43 P 4.4943 0.0000 0.0000 61.5442 32.9042 176.2684 44 K 4.5564 8.3566 117.4959 56.1761 32.3458 176.3023 45 L 5.5415 9.0345 125.5295 52.8063 45.7689 176.2992 46 V 4.8556 8.8546 120.2498 60.1750 35.3858 173.8122 47 L 5.5052 8.1981 122.1386 53.4654 45.8053 175.1955 48 V 4.8183 8.6891 123.5584 59.9681 35.1252 174.0516 49 S 5.2109 8.8060 117.3197 56.7387 64.3176 173.1683 50 I 4.6605 8.8396 128.0536 59.0726 40.4000 175.4577 51 G 3.6789 8.6485 114.0475 45.8141 0.0000 174.3107 52 E 4.0198 8.9011 122.2043 58.8459 29.5158 178.1673 53 K 4.2635 7.8884 115.5894 56.0468 32.5964 176.0808 54 A 4.3508 7.8178 123.6903 51.1691 18.7922 179.2443 55 K 3.8672 8.5927 125.6687 56.2437 32.4394 179.0606 *57 L 4.3300 8.0823 120.6400 55.1217 44.1152 178.1486 58 E 4.1797 8.1328 116.4587 59.4756 29.3976 178.7639 59 K 3.8118 7.6186 118.4174 59.4672 32.0507 179.3277 60 I 3.6433 7.4623 119.2350 64.2260 36.8107 178.2314 61 Q 4.1278 7.9118 118.1661 58.9109 28.5539 178.8218 62 Q 4.1712 7.9873 118.4454 58.9509 29.1463 178.4437 63 S 4.2039 8.0639 113.5841 59.1266 63.2137 174.7526 64 K 4.0225 8.4435 120.5333 56.6090 30.0901 174.3721 65 K 5.0910 7.6869 116.2821 56.1140 35.9146 174.6132 66 Y 5.0402 8.0620 116.6130 56.1789 41.6291 173.1331 67 A 5.1526 9.2980 122.7463 50.2784 22.6827 175.4348 68 V 4.4053 8.8637 120.6856 61.2585 33.9232 174.3686 69 N 5.0082 9.0926 126.4962 51.4995 40.4361 174.0376 70 I 4.3117 8.3522 126.3000 60.9581 38.5832 175.6557 71 L 4.9483 8.8764 127.7738 53.8701 43.6106 176.8200 72 S 4.8746 9.0223 117.8577 57.1619 64.6896 174.8454 73 Q 3.9683 8.8801 121.7544 59.1486 28.6579 176.9981 74 D 4.6969 7.8390 114.8945 54.6846 41.3107 176.5627 75 Q 4.6162 7.9351 118.9052 55.2671 29.4613 177.6340 76 K 3.5000 8.2235 121.8808 59.4407 32.2785 178.1272 77 V 3.6829 7.6010 117.2267 65.6798 31.9192 176.9590 78 L 4.1174 7.8037 119.6090 57.8113 41.5060 178.9711 79 S 4.2888 7.9793 109.3312 59.8527 62.4845 174.9343 *81 N 4.4920 8.1414 117.5225 53.7283 39.9920 175.8380 82 F 4.5204 8.3094 113.2714 58.3888 39.1042 175.9979 83 A 4.4470 7.7791 122.8674 51.4490 19.0432 177.5292 84 G 3.8749 7.9089 103.5741 46.9781 0.0000 174.8271 85 Q 4.4670 8.2048 116.5385 55.1866 29.7151 175.5122 86 L 4.7663 7.3841 118.0354 52.5898 43.9584 176.3842 87 E 4.0484 8.9195 122.4833 58.4425 29.7019 177.3309 88 K 4.5214 7.6101 118.5815 53.4278 34.2130 173.7857 89 P 4.4547 0.0000 0.0000 62.6664 31.9359 176.5152 90 V 3.8692 8.1465 115.3549 60.4138 32.5145 176.2949 91 D 4.4713 8.3030 122.0370 53.5329 40.1789 175.5821 92 V 3.8295 7.9503 126.3811 61.6266 32.8063 175.3960 93 Q 4.2698 8.1903 125.8756 55.2385 29.4265 174.6283 94 F 5.4516 8.6483 123.2072 56.1398 41.4961 175.4767 95 E 4.9061 9.2359 119.4176 54.9522 33.0585 173.7520 96 E 5.1172 8.6931 118.3334 54.9177 32.7555 175.7018 97 L 4.3359 9.1154 125.9755 55.1790 45.2983 175.4995 98 G 4.1543 9.3252 114.5035 45.4469 0.0000 173.9759 99 G 3.9050 8.5378 104.8816 44.9700 0.0000 173.8106 100 L 4.9270 7.6882 119.7815 51.6695 45.0645 174.0818 101 P 4.8384 0.0000 0.0000 63.0826 32.0465 175.8318 102 V 4.7450 9.1302 116.3822 59.5950 36.6246 174.2693 103 I 4.5186 8.7978 123.2744 59.4263 38.5840 175.8727 104 K 4.0807 8.3304 129.0264 58.1497 32.4162 176.2176 105 D 4.5040 8.9603 123.3764 54.6493 38.2297 174.0579 106 A 4.3606 7.4581 121.6739 51.9814 19.1561 178.0264 107 L 4.1907 8.6555 122.6095 57.5844 43.3059 176.9384 108 A 5.1709 7.6586 117.5907 50.8120 22.8523 175.1574 109 Q 5.0235 9.5693 119.1929 54.1774 33.0158 174.8160 110 I 4.9428 8.5853 123.5413 59.9535 41.2011 174.2902 111 S 5.0201 9.0677 124.0206 57.2263 65.2838 173.3636 112 C 5.2102 8.7594 120.1984 58.1021 32.8957 172.7556 113 Q 4.8031 8.5462 120.2539 53.7609 31.0964 175.3387 114 V 4.2352 8.7556 125.3681 63.5164 31.5486 175.9795 115 V 4.4470 8.8158 120.6111 61.5044 33.4824 175.1840 116 N 4.9437 7.8653 117.7160 52.4978 42.5272 172.7811 117 E 4.7927 8.6286 124.1499 54.6692 32.6774 174.4152 118 V 4.3260 8.3974 127.4144 60.8779 34.2629 174.3823 119 Q 4.5019 8.7069 129.2788 55.9615 30.3606 175.7038 120 A 4.3868 9.3832 129.2459 51.2683 21.2732 177.0957 121 G 3.8025 8.3820 114.7313 47.1576 0.0000 174.4598 122 D 4.5087 8.8220 124.4004 56.7767 41.0948 175.2440 123 H 5.3702 8.1870 114.9045 54.3917 33.9236 172.2074 124 T 4.8341 9.0707 116.7653 61.7921 71.6439 173.3523 125 L 4.7576 8.7913 126.6704 53.6371 43.6279 175.8061 126 F 5.0803 9.0483 124.5741 56.1407 40.2894 175.2224 127 I 4.7127 8.6732 126.2986 60.5858 38.6277 175.6155 128 G 4.3947 9.3935 113.7332 44.3552 0.0000 170.9204 129 E 4.8985 9.0564 126.0034 54.9400 31.2205 175.2664 130 V 4.2362 8.5012 128.2364 63.1868 31.6019 175.4359 131 T 4.4798 8.8715 118.3964 62.9194 70.4923 174.7258 132 D 4.9297 7.7881 119.5450 52.5583 45.6494 174.6402 133 I 4.9336 8.2660 120.9513 59.5890 41.3910 174.7438 134 K 4.6301 9.2470 126.4821 54.9574 35.4881 174.9632 135 I 5.0480 8.5449 127.1985 59.7613 40.7719 174.2859 136 T 4.6816 8.6610 114.0203 59.9184 72.7787 173.8662 137 E 4.5796 8.4501 117.6695 56.2343 29.8371 176.7070 138 Q 4.2428 7.8470 117.5250 55.9018 29.6221 175.4491 139 D 4.8646 8.3161 119.3618 53.2666 42.5065 174.1975 140 P 5.0005 0.0000 0.0000 62.0032 32.8886 175.5071 141 L 4.2547 8.5114 124.8064 55.3096 43.1814 175.6784 142 L 5.2469 8.9095 125.4601 52.9787 45.6929 175.1381 143 F 5.3841 9.3196 123.5212 56.5971 42.4463 173.4783 144 F 4.8094 8.9241 127.7393 57.5811 43.2494 174.2092 145 S 3.1456 8.5609 121.1722 59.4098 60.8114 173.5056 146 G 3.5572 7.4932 104.6565 45.3872 0.0000 173.8864 147 K 4.4979 7.0319 118.2028 54.1518 35.8201 174.8659 148 Y 5.1170 8.2511 118.2670 58.4446 39.0848 174.4714 149 H 5.0893 9.5020 119.1259 54.7450 34.1697 171.9161 150 Q 4.9936 8.4855 116.8651 53.8515 32.4687 175.9339 151 L 4.0331 8.5264 121.0173 54.2916 42.3578 177.2684 152 A 4.0375 8.4793 125.8797 52.6306 18.8971 177.6048 153 Q 4.2224 8.6036 120.8758 56.0245 29.0189 175.6702 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 D 8.22 4.63 0.00 2.72 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 3 D 8.44 4.31 0.00 2.87 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 4 R 8.13 3.92 0.00 1.90 1.93 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 5 L 7.93 3.96 0.00 1.82 1.92 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.16 4.21 0.00 3.08 3.30 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 7 R 7.95 3.91 0.00 2.09 1.96 0.00 3.30 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 8 N 8.40 4.41 0.00 2.83 2.81 0.00 0.00 7.02 7.25 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 9 A 7.88 4.07 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 *11 G 8.06 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 0.00 0.00 0.00 12 K 7.87 3.77 0.00 1.96 1.96 0.00 1.65 0.00 0.00 1.26 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.50 7.81 13 F 8.02 4.66 0.00 2.92 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 14 A 8.09 4.73 1.12 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 0.00 0.00 15 T 8.69 4.56 4.35 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 1.38 0.00 0.00 16 G 8.53 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.35 4.79 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 1.16 0.00 0.00 1.12 0.00 0.00 18 T 8.86 5.12 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 19 V 8.51 4.47 1.81 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 0.05 0.00 0.00 0.84 0.00 0.00 20 I 8.18 4.73 1.77 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 1.32 0.77 0.75 0.00 0.00 21 T 9.07 5.15 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 1.10 0.00 0.00 22 T 8.74 4.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 23 E 8.60 5.06 0.00 1.88 1.72 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 2.27 2.17 0.00 24 L 8.79 4.56 0.00 1.69 1.47 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.93 4.47 0.00 2.83 2.78 0.00 0.00 7.18 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 26 G 8.06 4.15 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 0.00 27 A 7.75 4.39 1.22 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 0.00 0.00 28 V 7.89 4.43 1.62 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 -0.10 0.00 0.00 0.54 0.00 0.00 29 H 9.18 4.99 0.00 3.04 3.15 0.00 5.61 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 30 G 8.49 4.83 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 *32 T 8.42 4.39 4.29 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 1.29 0.00 0.00 33 A 8.86 4.72 1.21 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 34 N 8.80 4.98 0.00 3.03 2.91 0.00 0.00 6.06 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 35 A 7.72 4.44 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 36 F 7.68 5.38 0.00 2.93 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 S 8.29 4.02 0.00 3.86 3.75 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 39 V 8.20 4.17 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 0.81 0.00 0.00 0.86 0.00 0.00 40 S 7.48 4.72 0.00 3.83 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.65 3.98 0.00 1.63 1.66 0.93 0.91 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 42 N 7.83 4.81 0.00 2.70 2.72 0.00 0.00 6.93 8.02 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 43 P 0.00 4.49 0.00 2.18 2.08 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 44 K 8.36 4.56 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.55 7.81 45 L 9.03 5.54 0.00 1.55 1.53 0.93 0.99 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 46 V 8.85 4.86 2.26 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 1.27 0.00 0.00 1.11 0.00 0.00 47 L 8.20 5.51 0.00 1.70 1.42 0.91 0.74 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 48 V 8.69 4.82 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 0.16 0.00 0.00 1.02 0.00 0.00 49 S 8.81 5.21 0.00 3.92 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 50 I 8.84 4.66 2.16 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.56 0.98 0.00 0.00 51 G 8.65 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 0.00 0.00 0.00 52 E 8.90 4.02 0.00 2.07 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 2.29 0.00 53 K 7.89 4.26 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 54 A 7.82 4.35 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.59 3.87 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.46 7.81 *57 L 8.08 4.33 0.00 1.81 1.82 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.13 4.18 0.00 2.20 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 0.00 2.50 2.34 0.00 59 K 7.62 3.81 0.00 1.73 1.82 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.62 1.47 7.81 60 I 7.46 3.64 1.02 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.45 0.19 0.00 0.00 61 Q 7.91 4.13 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.94 2.89 0.00 62 Q 7.99 4.17 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 63 S 8.06 4.20 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.44 4.02 0.00 1.96 1.94 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.52 7.81 65 K 7.69 5.09 0.00 1.71 1.66 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.35 7.81 66 Y 8.06 5.04 0.00 3.03 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 67 A 9.30 5.15 1.23 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 0.00 0.00 68 V 8.86 4.41 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 0.19 0.00 0.00 1.15 0.00 0.00 69 N 9.09 5.01 0.00 2.58 2.66 0.00 0.00 6.59 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.35 4.31 1.83 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 1.03 0.42 0.90 0.00 0.00 71 L 8.88 4.95 0.00 1.66 1.55 0.99 0.66 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 72 S 9.02 4.87 0.00 3.99 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 73 Q 8.88 3.97 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 74 D 7.84 4.70 0.00 2.72 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 75 Q 7.94 4.62 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.22 3.50 0.00 1.46 1.66 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.06 0.27 7.81 77 V 7.60 3.68 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 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.80 4.12 0.00 1.96 1.90 0.94 0.82 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 79 S 7.98 4.29 0.00 3.87 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 *81 N 8.14 4.49 0.00 2.76 2.63 0.00 0.00 7.14 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.31 4.52 0.00 3.12 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 83 A 7.78 4.45 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 84 G 7.91 3.87 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 0.00 0.00 0.00 85 Q 8.20 4.47 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 86 L 7.38 4.77 0.00 1.55 1.52 0.85 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 87 E 8.92 4.05 0.00 1.94 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 2.31 2.24 0.00 88 K 7.61 4.52 0.00 1.65 1.64 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.39 7.81 89 P 0.00 4.45 0.00 2.02 1.87 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 90 V 8.15 3.87 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 0.57 0.00 0.00 0.80 0.00 0.00 91 D 8.30 4.47 0.00 2.59 2.58 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 0.00 92 V 7.95 3.83 1.82 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 0.39 0.00 0.00 0.83 0.00 0.00 93 Q 8.19 4.27 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 94 F 8.65 5.45 0.00 2.95 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 95 E 9.24 4.91 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 96 E 8.69 5.12 0.00 1.90 1.81 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 2.16 2.25 0.00 97 L 9.12 4.34 0.00 1.70 1.44 0.92 1.27 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 98 G 9.33 4.15 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 0.00 99 G 8.54 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 0.00 100 L 7.69 4.93 0.00 1.69 1.51 0.95 1.26 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 0.00 101 P 0.00 4.84 0.00 1.68 1.82 0.00 3.63 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 1.80 1.79 0.00 102 V 9.13 4.75 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 0.77 0.00 0.00 1.00 0.00 0.00 103 I 8.80 4.52 1.82 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 0.97 1.30 0.83 0.00 0.00 104 K 8.33 4.08 0.00 1.77 1.71 0.00 1.89 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.41 7.81 105 D 8.96 4.50 0.00 2.86 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 0.00 106 A 7.46 4.36 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 0.00 107 L 8.66 4.19 0.00 1.80 1.88 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.66 5.17 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 0.00 109 Q 9.57 5.02 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.28 0.00 110 I 8.59 4.94 1.89 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 1.28 0.66 0.98 0.00 0.00 111 S 9.07 5.02 0.00 3.72 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 C 8.76 5.21 0.00 1.88 2.33 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 0.00 113 Q 8.55 4.80 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 114 V 8.76 4.24 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 1.00 0.00 0.00 1.14 0.00 0.00 115 V 8.82 4.45 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 0.78 0.00 0.00 1.01 0.00 0.00 116 N 7.87 4.94 0.00 2.79 2.62 0.00 0.00 6.57 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 0.00 117 E 8.63 4.79 0.00 1.95 1.74 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 2.00 1.74 0.00 118 V 8.40 4.33 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 0.76 0.00 0.00 0.89 0.00 0.00 119 Q 8.71 4.50 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 120 A 9.38 4.39 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 0.00 121 G 8.38 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.82 4.51 0.00 2.85 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 0.00 123 H 8.19 5.37 0.00 3.23 3.14 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 9.07 4.83 4.07 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 0.52 0.00 0.00 125 L 8.79 4.76 0.00 1.46 1.57 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.05 5.08 0.00 2.89 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 0.00 127 I 8.67 4.71 1.94 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 1.20 0.78 1.01 0.00 0.00 128 G 9.39 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 0.00 0.00 0.00 0.00 129 E 9.06 4.90 0.00 2.04 1.81 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 2.25 2.43 0.00 130 V 8.50 4.24 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 0.82 0.00 0.00 0.98 0.00 0.00 131 T 8.87 4.48 4.22 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 1.17 0.00 0.00 132 D 7.79 4.93 0.00 2.54 2.52 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 0.00 133 I 8.27 4.93 1.88 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 1.25 0.61 0.93 0.00 0.00 134 K 9.25 4.63 0.00 1.75 1.58 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.40 7.81 135 I 8.54 5.05 1.88 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 1.42 0.81 0.92 0.00 0.00 136 T 8.66 4.68 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 0.00 137 E 8.45 4.58 0.00 1.96 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 0.00 2.22 2.24 0.00 138 Q 7.85 4.24 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 139 D 8.32 4.86 0.00 2.60 2.58 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 0.00 140 P 0.00 5.00 0.00 2.10 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 141 L 8.51 4.25 0.00 1.98 1.64 0.89 0.51 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 0.00 142 L 8.91 5.25 0.00 1.78 1.60 0.93 0.85 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 0.00 143 F 9.32 5.38 0.00 3.05 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 0.00 144 F 8.92 4.81 0.00 2.99 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.56 3.15 0.00 3.41 3.50 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 0.00 146 G 7.49 3.56 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 0.00 0.00 0.00 0.00 147 K 7.03 4.50 0.00 1.78 1.53 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.24 7.81 148 Y 8.25 5.12 0.00 2.97 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 0.00 149 H 9.50 5.09 0.00 3.09 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.49 4.99 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 151 L 8.53 4.03 0.00 1.63 1.59 0.92 0.77 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 0.00 152 A 8.48 4.04 1.22 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 0.00 0.00 153 Q 8.60 4.22 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.