NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3116 8.1127 119.6507 55.9309 32.1923 173.8339 6 E 4.0829 8.6722 125.2173 55.4627 30.6113 174.8380 7 A 4.2053 8.0002 129.8208 51.0726 21.7201 175.1925 *9 T 4.6456 8.2030 107.3192 61.9457 70.5768 173.1492 10 V 4.9423 8.3239 120.0452 59.9012 34.9327 175.2419 11 G 4.1718 9.0721 108.8715 44.7533 0.0000 171.8116 12 V 5.1264 8.5383 118.2053 59.6035 34.9666 174.6381 13 D 4.8806 9.1599 122.6167 52.4151 45.0891 173.7705 14 L 5.1472 8.5043 125.0245 53.2377 45.1821 175.4737 15 V 4.4675 8.9046 125.9232 61.0920 34.6119 174.0699 16 H 4.2420 8.9916 128.2722 55.9022 30.2762 175.6829 17 I 3.7206 8.4676 129.4408 64.0972 36.9945 176.5668 18 P 4.2813 0.0000 0.0000 65.6826 30.7420 178.8439 19 G 3.6672 7.7245 103.9054 47.4603 0.0000 175.4599 20 F 4.0799 8.4248 122.8151 61.1022 39.4349 177.1356 21 A 3.7331 8.1798 120.8139 54.7262 17.9087 179.3737 22 E 3.8562 7.8436 115.5087 59.8105 29.3567 179.2251 23 Q 4.0910 7.6453 118.7040 58.4416 28.5110 178.4464 24 L 3.8102 7.3886 120.9996 57.8018 42.1643 178.7256 25 S 4.2262 7.6040 112.8128 59.2135 63.9211 174.9083 26 R 3.9637 7.1503 119.6771 55.0230 29.8048 174.1076 27 P 4.2516 0.0000 0.0000 64.2269 31.4468 176.2493 28 G 3.8090 8.7804 113.4264 46.4645 0.0000 173.6207 29 S 4.2830 7.7443 113.2844 57.7518 64.1007 175.2155 30 T 3.8296 8.2690 115.8246 64.6897 66.6761 175.8858 31 F 4.1965 7.5217 118.5535 59.1819 38.6284 176.9881 32 E 4.1863 8.1954 118.6554 58.6800 29.3265 177.4830 33 Q 4.4872 7.5550 114.8198 55.6548 29.6745 176.7296 34 V 3.6948 7.3925 118.8882 64.6488 31.7528 175.7428 35 F 5.3858 7.7538 117.2797 55.6244 41.0183 176.1851 36 S 4.5787 9.2493 120.2493 57.3420 65.1281 173.7952 37 P 4.3054 0.0000 0.0000 65.5785 31.0525 178.5173 38 L 3.9636 8.0176 118.6370 58.5329 42.0055 178.7761 39 E 4.0809 8.6842 118.6340 59.5394 29.4428 179.7726 40 R 3.9579 8.5050 118.8383 59.2067 29.9848 179.2608 41 R 3.9967 8.1077 115.0635 59.3891 29.7150 178.0412 42 H 4.2128 8.5507 118.9280 58.7605 29.5888 176.9236 43 A 3.7650 8.1149 122.7787 55.2627 18.0320 179.0335 44 Q 4.1177 7.5726 112.8658 56.8285 29.9022 176.6749 45 T 4.3312 7.2895 112.5526 60.0446 68.3626 174.0024 46 R 4.5461 7.5670 119.2072 56.9757 37.3207 174.7035 47 R 4.3582 7.4198 121.9658 56.1810 28.6547 176.9452 *59 A 4.1654 7.4200 120.4330 52.1862 19.4869 177.4828 60 G 4.0781 7.6771 119.2277 45.7311 0.0000 173.2896 61 S 4.4329 8.6740 113.3867 60.7097 63.1309 176.6217 62 R 3.9205 7.7651 118.1765 59.1846 29.3825 178.8319 63 T 3.8842 7.7540 116.1306 66.5274 68.7330 175.9911 64 E 3.8125 7.7825 120.6007 59.9182 29.6632 178.8791 65 H 4.0670 8.2806 117.8821 59.6088 29.8543 177.2151 66 L 3.8425 8.1031 120.2230 57.2844 41.3714 179.0766 67 A 2.7712 8.4017 121.5074 54.8785 18.1522 179.9771 68 G 3.5424 7.9090 103.7440 47.9493 0.0000 176.2091 69 R 4.1110 7.9517 120.1346 58.7719 30.0309 178.9391 70 W 4.6528 8.5560 128.1602 60.4409 30.6531 177.9468 71 A 4.1607 8.2361 121.8922 54.4773 17.8469 179.2283 72 A 3.9661 8.3436 119.7240 55.5090 18.4763 180.0766 73 K 4.1230 8.1650 116.7396 59.6367 32.1402 179.4536 74 E 3.6981 7.8540 118.6569 59.3585 29.3324 179.2983 75 A 3.9929 8.2650 121.0941 55.0550 18.3481 179.5356 76 F 4.1815 8.2296 119.2934 61.4972 39.4447 177.5064 77 I 3.4813 7.9217 119.4850 64.2244 36.8788 178.5632 78 K 3.8759 8.0058 119.1407 59.3715 31.6289 179.3011 79 A 4.1475 7.6202 120.1886 54.7529 18.6950 179.2572 80 W 4.1758 7.8695 126.9706 60.5633 30.6956 178.5646 81 S 3.7903 8.1198 115.3451 61.6544 62.1765 176.3153 82 Q 4.0244 8.1061 121.9285 59.3384 28.4331 178.3680 83 A 4.3135 7.6769 121.3638 53.2851 18.4304 177.9995 84 I 4.3558 7.6275 118.1216 60.9006 37.7221 174.4048 85 Y 4.0167 7.5291 121.9007 59.7221 38.5121 177.0630 86 G 3.7462 8.4359 114.8347 45.2115 0.0000 172.7372 87 K 4.5355 7.6849 119.2830 53.3844 33.9801 174.7339 88 P 4.3014 0.0000 0.0000 61.8740 31.7523 174.4117 89 P 4.0453 0.0000 0.0000 63.0233 31.4285 177.0502 90 V 3.9382 7.9601 121.9961 62.2606 32.2689 176.0223 91 I 4.4231 7.0283 121.0007 58.8511 40.3648 174.3461 92 E 3.7583 8.9788 125.0445 56.5275 29.7880 175.5107 93 P 4.1690 0.0000 0.0000 66.0900 31.4061 176.9243 94 D 4.6950 8.0418 113.4920 55.0257 40.8977 176.6477 95 L 4.6448 7.8902 118.1988 54.3200 42.3471 176.4727 96 V 3.8143 7.4503 112.8863 60.3129 32.3993 176.1164 97 N 4.5662 8.3487 123.2898 52.5377 37.4951 175.1983 98 F 4.1680 8.5405 123.8226 59.3090 39.3310 176.9581 99 A 4.5305 7.9775 121.5915 52.8103 18.6343 177.7044 100 E 4.3839 8.5108 115.7641 56.4793 29.7216 175.8139 101 I 4.8134 7.5138 120.3587 59.0596 38.3960 174.0221 102 E 4.9957 9.4048 125.1242 54.5274 32.5613 175.8127 103 V 4.6193 9.2954 116.3252 60.3408 32.6672 175.5421 104 L 4.6544 9.2028 127.8890 52.6234 42.9622 174.6711 105 P 5.1839 0.0000 0.0000 62.0336 33.3410 175.4520 106 D 4.8012 8.6902 121.6634 51.4681 41.7495 176.8128 107 R 3.4745 8.3063 118.2134 58.8105 29.5326 177.0226 108 W 4.5702 8.4343 114.3777 56.1888 29.3653 176.5664 109 G 4.0093 8.3325 106.5763 45.3885 0.0000 174.2788 110 R 4.3399 8.2347 116.6978 55.9264 30.9170 175.9099 111 V 5.0293 8.3493 113.3188 59.7893 34.8924 174.8695 112 A 4.7595 8.8927 124.7078 50.3680 22.9434 175.1806 113 L 4.7459 8.5055 120.8316 54.2126 43.1077 176.0571 114 Q 4.6234 9.1332 124.5278 54.1661 31.9776 173.9124 115 L 5.1888 8.4266 125.4333 52.9522 44.6039 175.6781 116 K 4.4043 8.3221 121.5129 55.7884 36.4553 176.9070 117 G 3.6443 8.8509 108.4297 46.8540 0.0000 175.8642 118 E 3.9167 10.6756 121.1962 59.1116 29.5230 179.0853 119 V 3.7278 7.9802 117.6982 65.8731 31.7338 177.7589 120 A 3.7995 7.9858 120.1965 55.0900 18.3235 179.1770 121 A 3.9311 8.0761 119.1545 55.6136 18.5367 180.1792 122 K 4.1481 8.7798 116.6382 59.0235 32.0360 179.5243 123 L 3.5110 7.6955 121.2897 57.8585 41.9296 178.6681 124 Q 4.1823 8.1149 120.7136 58.5508 28.7939 177.9033 125 E 4.0533 8.0140 117.9714 59.2021 29.7045 178.7902 126 S 4.5145 8.1380 114.5744 60.0236 63.7183 174.8528 127 I 4.5805 8.2641 111.8163 59.2052 39.1891 176.5738 128 G 3.8837 8.0408 108.6725 44.8203 0.0000 172.7387 129 D 4.5841 8.3800 120.6306 54.6590 41.6074 175.7175 130 V 4.9098 7.9155 113.4085 59.8755 36.1763 174.1044 131 E 4.7701 9.1888 123.4342 54.4790 32.2798 174.6267 132 L 5.4226 8.5970 125.0203 52.9970 44.7587 175.6042 133 A 4.8251 8.7522 122.9595 50.1500 22.4743 174.8191 134 L 5.2705 8.5311 122.1435 53.5809 45.8823 175.4601 135 S 4.7584 8.6584 116.7734 57.0347 66.2452 172.7166 136 I 5.1860 8.3878 126.0125 59.7019 40.3023 174.7137 137 S 4.8665 9.3595 119.8067 56.9216 66.1882 172.4649 138 H 5.4189 8.4037 118.8921 54.2210 31.7458 171.8561 139 D 4.6719 9.3339 118.5123 53.9532 45.2691 177.2594 140 G 3.7635 8.2617 112.5598 47.5362 0.0000 173.7844 141 D 4.7579 8.7965 123.9457 54.0462 40.9746 174.7565 142 Y 5.4824 8.3195 116.5575 56.3450 42.6609 174.1242 143 A 5.2809 9.2161 122.3023 50.8200 23.0649 175.0551 144 T 5.5907 9.4972 113.3749 60.5521 71.5380 172.4675 145 A 5.7694 8.2522 126.0187 50.6168 23.2589 174.9326 146 L 5.2163 8.4888 118.8714 53.1045 45.8322 175.0663 147 C 5.2422 9.4383 124.1596 57.3955 35.0190 172.1171 148 L 5.1739 8.9576 127.1184 53.1727 44.5938 174.4759 149 L 5.2128 8.9701 128.8392 53.4132 44.0099 175.4894 150 R 5.2265 8.9447 125.4654 54.8610 33.0678 174.6220 151 Y 5.2845 8.3836 119.7490 56.3113 42.1758 172.7570 152 Q 4.4983 8.5990 120.9904 54.5604 30.4565 175.5305 153 R 4.0855 7.7247 121.5096 56.4333 29.7240 176.1511 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 R 8.11 4.31 0.00 1.74 1.87 0.00 3.05 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 6 E 8.67 4.08 0.00 2.01 1.79 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 2.22 2.32 0.00 7 A 8.00 4.21 0.30 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 *9 T 8.20 4.65 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 1.43 0.00 0.00 10 V 8.32 4.94 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 0.75 0.00 0.00 0.98 0.00 0.00 11 G 9.07 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 12 V 8.54 5.13 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 0.73 0.00 0.00 0.92 0.00 0.00 13 D 9.16 4.88 0.00 2.64 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.50 5.15 0.00 1.64 1.54 0.97 0.82 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 15 V 8.90 4.47 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 0.91 0.00 0.00 0.97 0.00 0.00 16 H 8.99 4.24 0.00 3.17 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.47 3.72 1.82 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 1.42 0.71 0.91 0.00 0.00 18 P 0.00 4.28 0.00 1.93 2.01 0.00 2.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 19 G 7.72 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.42 4.08 0.00 3.06 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 21 A 8.18 3.73 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 22 E 7.84 3.86 0.00 2.10 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 2.30 2.56 0.00 23 Q 7.65 4.09 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 24 L 7.39 3.81 0.00 1.15 1.39 0.26 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.60 4.23 0.00 4.04 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 26 R 7.15 3.96 0.00 2.03 2.08 0.00 2.79 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 27 P 0.00 4.25 0.00 2.05 2.06 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 28 G 8.78 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.74 4.28 0.00 4.11 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 30 T 8.27 3.83 4.09 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 0.73 0.00 0.00 31 F 7.52 4.20 0.00 2.99 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 32 E 8.20 4.19 0.00 2.08 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 2.37 2.38 0.00 33 Q 7.56 4.49 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 34 V 7.39 3.69 1.56 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 0.07 0.00 0.00 35 F 7.75 5.39 0.00 3.24 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 36 S 9.25 4.58 0.00 4.10 4.09 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 37 P 0.00 4.31 0.00 2.21 2.18 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 38 L 8.02 3.96 0.00 1.74 1.72 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.68 4.08 0.00 2.42 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 0.00 2.46 2.49 0.00 40 R 8.51 3.96 0.00 2.14 2.00 0.00 3.20 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 41 R 8.11 4.00 0.00 1.95 2.06 0.00 3.07 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 42 H 8.55 4.21 0.00 3.30 3.39 0.00 5.79 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 43 A 8.11 3.76 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 44 Q 7.57 4.12 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.48 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 45 T 7.29 4.33 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 1.14 0.00 0.00 46 R 7.57 4.55 0.00 1.80 1.84 0.00 3.19 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 47 R 7.42 4.36 0.00 1.93 2.30 0.00 3.26 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 *59 A 7.42 4.17 1.24 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 0.00 0.00 0.00 60 G 7.68 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 61 S 8.67 4.43 0.00 3.88 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 62 R 7.77 3.92 0.00 2.00 2.12 0.00 2.94 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 63 T 7.75 3.88 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 1.27 0.00 0.00 64 E 7.78 3.81 0.00 2.09 1.73 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 2.20 2.32 0.00 65 H 8.28 4.07 0.00 3.21 3.46 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 66 L 8.10 3.84 0.00 2.09 1.78 0.33 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.40 2.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.91 3.54 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 0.00 0.00 0.00 69 R 7.95 4.11 0.00 2.24 2.43 0.00 3.14 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 70 W 8.56 4.65 0.00 3.57 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 71 A 8.24 4.16 1.34 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 0.00 0.00 0.00 0.00 0.00 72 A 8.34 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 4.12 0.00 1.99 2.20 0.00 2.20 0.00 0.00 1.99 0.00 0.00 3.35 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.87 1.75 7.81 74 E 7.85 3.70 0.00 1.78 1.63 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 1.47 1.47 0.00 75 A 8.27 3.99 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 76 F 8.23 4.18 0.00 3.20 3.39 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 77 I 7.92 3.48 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.10 0.87 0.00 0.00 78 K 8.01 3.88 0.00 1.96 1.83 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.56 7.81 79 A 7.62 4.15 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 80 W 7.87 4.18 0.00 2.90 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 81 S 8.12 3.79 0.00 3.79 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.11 4.02 0.00 2.51 2.23 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 2.38 2.47 0.00 83 A 7.68 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.63 4.36 1.98 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 1.19 0.68 0.74 0.00 0.00 85 Y 7.53 4.02 0.00 3.03 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 86 G 8.44 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 0.00 0.00 0.00 87 K 7.68 4.54 0.00 1.86 1.70 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.36 7.81 88 P 0.00 4.30 0.00 2.11 2.00 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 89 P 0.00 4.05 0.00 1.94 1.87 0.00 3.57 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 90 V 7.96 3.94 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 0.95 0.00 0.00 91 I 7.03 4.42 1.75 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.87 0.00 0.00 92 E 8.98 3.76 0.00 2.00 1.84 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 2.36 2.41 0.00 93 P 0.00 4.17 0.00 2.07 2.13 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 94 D 8.04 4.69 0.00 2.67 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 95 L 7.89 4.64 0.00 1.71 1.62 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.45 3.81 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 0.60 0.00 0.00 -0.19 0.00 0.00 97 N 8.35 4.57 0.00 2.70 2.88 0.00 0.00 7.22 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 98 F 8.54 4.17 0.00 3.21 3.26 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 99 A 7.98 4.53 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.51 4.38 0.00 2.12 2.13 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 2.29 2.28 0.00 101 I 7.51 4.81 2.16 0.00 0.00 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 1.17 0.64 0.82 0.00 0.00 102 E 9.40 5.00 0.00 2.03 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 2.27 0.00 103 V 9.30 4.62 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 104 L 9.20 4.65 0.00 1.74 1.59 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 5.18 0.00 1.92 1.92 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.45 0.00 106 D 8.69 4.80 0.00 2.93 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 0.00 107 R 8.31 3.47 0.00 1.00 0.66 0.00 2.77 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 108 W 8.43 4.57 0.00 3.51 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 0.00 109 G 8.33 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 0.00 0.00 0.00 110 R 8.23 4.34 0.00 1.95 2.12 0.00 2.94 0.00 0.00 3.51 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 111 V 8.35 5.03 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 0.76 0.00 0.00 0.96 0.00 0.00 112 A 8.89 4.76 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 0.00 113 L 8.51 4.75 0.00 1.45 1.42 0.97 0.79 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 0.00 114 Q 9.13 4.62 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 115 L 8.43 5.19 0.00 1.33 1.36 0.21 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.32 4.40 0.00 1.76 1.86 0.00 1.46 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.37 7.81 117 G 8.85 3.64 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 0.00 0.00 0.00 118 E 10.68 3.92 0.00 1.89 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 2.37 2.35 0.00 119 V 7.98 3.73 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 1.05 0.00 0.00 1.07 0.00 0.00 120 A 7.99 3.80 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 0.00 121 A 8.08 3.93 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 0.00 122 K 8.78 4.15 0.00 2.13 2.18 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.70 7.81 123 L 7.70 3.51 0.00 0.80 1.49 -0.24 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.11 4.18 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 125 E 8.01 4.05 0.00 2.22 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 2.52 2.37 0.00 126 S 8.14 4.51 0.00 4.21 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 0.00 127 I 8.26 4.58 1.74 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.89 0.00 0.00 128 G 8.04 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.38 4.58 0.00 2.70 2.63 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 0.00 130 V 7.92 4.91 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 0.70 0.00 0.00 0.90 0.00 0.00 131 E 9.19 4.77 0.00 2.03 1.78 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 2.20 2.26 0.00 132 L 8.60 5.42 0.00 1.55 1.57 0.83 0.90 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 0.00 133 A 8.75 4.83 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 0.00 134 L 8.53 5.27 0.00 1.63 1.52 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.66 4.76 0.00 3.89 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 0.00 136 I 8.39 5.19 1.89 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 0.82 0.98 0.00 0.00 137 S 9.36 4.87 0.00 3.79 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 0.00 138 H 8.40 5.42 0.00 3.36 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 9.33 4.67 0.00 2.70 2.53 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 0.00 140 G 8.26 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 0.00 141 D 8.80 4.76 0.00 2.75 2.38 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 0.00 142 Y 8.32 5.48 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 9.22 5.28 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 T 9.50 5.59 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 1.22 0.00 0.00 145 A 8.25 5.77 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 0.00 146 L 8.49 5.22 0.00 1.57 1.54 0.93 0.78 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 0.00 147 C 9.44 5.24 0.00 3.01 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 0.00 148 L 8.96 5.17 0.00 1.79 1.50 0.95 0.55 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 0.00 149 L 8.97 5.21 0.00 1.72 1.63 0.87 1.25 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 0.00 150 R 8.94 5.23 0.00 1.83 1.81 0.00 3.36 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 151 Y 8.38 5.28 0.00 3.22 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 0.00 152 Q 8.60 4.50 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 153 R 7.72 4.09 0.00 1.78 1.74 0.00 3.06 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.