NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1637 8.0093 121.4513 60.6215 37.4240 174.5031 3 P 4.3032 0.0000 0.0000 62.1126 32.2726 174.6938 4 I 4.1744 8.4496 120.4802 62.6711 39.6863 177.0309 5 V 4.1750 7.3683 118.6116 60.9356 32.9512 175.5538 6 D 4.3935 8.7226 125.4717 55.0165 42.3705 177.7028 7 S 4.1895 8.8288 121.3284 61.7015 62.8505 177.0448 8 R 3.9857 8.2271 121.7750 59.0673 29.7631 178.9155 9 I 3.9132 7.9680 119.3666 64.2988 37.1863 178.4887 10 G 3.6258 8.2853 106.3740 47.8188 0.0000 175.6228 11 A 4.0324 8.0959 123.3533 54.8758 18.3651 179.0771 12 Y 4.0959 8.1988 118.0564 61.0227 38.7054 178.4160 13 L 3.8361 8.0138 118.6388 57.7711 42.0226 178.9881 14 D 4.5580 8.1185 119.2225 57.2159 40.5317 179.0112 15 G 3.6025 7.8653 105.3921 47.4961 0.0000 175.2996 16 L 4.0383 7.3035 119.0731 55.4169 42.0696 177.6456 17 L 4.0426 6.9127 119.4571 53.9935 42.0443 175.3826 18 P 4.5803 0.0000 0.0000 61.4908 32.7107 175.2928 19 E 3.9986 8.4235 118.9137 55.9194 30.0092 176.2041 20 A 4.2449 8.2834 128.2424 51.5684 19.4544 177.3624 21 D 4.4742 8.4932 120.3285 53.5444 42.9421 175.9885 22 P 4.1760 0.0000 0.0000 65.7840 31.0802 178.9106 23 V 3.2417 7.9566 117.9329 65.7169 31.4131 177.9170 24 V 3.0395 6.9607 116.2986 65.6850 31.2923 177.4198 25 A 4.1021 7.9491 120.4473 54.8289 18.1570 179.5325 26 A 3.9580 8.4084 117.7868 52.9855 18.2664 179.1326 *28 E 4.1779 8.3452 125.0331 58.6953 31.8614 179.2814 29 Q 3.9294 7.6948 119.8687 60.3580 27.7251 181.7225 30 I 4.0034 7.6348 121.7882 64.3377 37.1129 178.4407 31 A 3.9556 7.8127 120.7976 55.1349 18.2009 179.5492 32 R 3.8839 7.8167 117.1511 59.2525 30.0176 177.7147 33 E 4.4244 8.3073 114.5001 57.0359 29.9842 176.9820 34 R 4.4229 7.1296 115.8744 54.9299 32.2456 174.4452 35 N 4.0828 7.6362 115.7443 54.8473 37.6884 174.1950 36 I 4.4264 8.0124 118.2124 58.6484 39.2304 174.5967 37 P 4.5392 0.0000 0.0000 62.3784 32.1185 175.5119 38 I 4.7372 7.8375 113.0276 58.5954 40.7844 174.9683 39 V 3.6680 8.4202 121.5602 62.9159 31.8176 176.2844 40 D 4.6748 8.5149 127.0588 52.9376 41.4951 177.3546 41 R 3.8645 8.3710 119.0768 59.6796 30.2219 178.3086 42 Q 3.8906 7.9539 117.3851 59.1750 28.6595 178.8843 43 T 3.9128 8.5071 117.2758 66.4260 68.4976 177.0608 44 G 2.1263 7.7039 107.7483 47.3367 0.0000 175.9285 45 R 3.5985 7.1788 120.4046 58.6494 29.9051 178.9600 46 L 3.9736 7.5052 119.7889 57.9035 42.0714 178.9356 47 L 3.9770 7.7725 119.1350 57.8828 41.4277 178.7942 48 Y 4.0681 8.0156 119.3865 60.6551 38.8011 177.9480 49 L 3.9485 8.1449 121.1237 58.1985 42.1542 178.8842 50 L 4.0273 8.2874 118.9589 57.7727 41.5545 179.3795 51 A 4.0629 8.2379 120.6792 55.2912 18.1258 179.9081 52 R 3.7360 7.8087 115.7652 59.3816 30.1522 179.1179 53 I 3.8595 7.5935 118.6476 64.2692 37.2034 178.1835 54 K 4.0366 8.2805 119.6250 57.1137 33.1770 176.6519 55 Q 3.3675 8.0329 117.1569 56.2030 26.5602 171.9800 56 P 4.5111 0.0000 0.0000 62.8779 32.9844 176.7971 57 Q 4.3253 9.2616 119.1531 56.8666 30.4901 175.7139 58 L 5.0354 7.9510 120.5819 53.2515 45.7273 175.1713 59 V 4.6600 8.7732 126.3236 60.9664 34.4092 174.0813 60 V 4.7334 8.8376 128.0500 61.2036 34.0600 174.3981 61 V 4.9177 9.1569 128.6982 60.5220 32.2739 172.3968 62 P 4.5357 0.0000 0.0000 63.4664 31.2154 175.3296 63 G 3.9229 11.2935 115.1683 46.6169 0.0000 171.3708 64 D 4.4129 9.2901 123.0184 53.2049 42.6896 174.2800 65 G 3.8986 8.6759 116.2472 46.8271 0.0000 171.7994 66 L 3.3640 10.1333 123.2102 55.0035 40.3048 174.9879 67 G 3.9772 8.2221 105.7782 47.0237 0.0000 175.9488 68 C 4.0667 8.1600 120.1952 62.4324 31.4968 175.2988 69 A 3.9564 8.2886 121.5832 55.3635 17.8901 179.5734 70 S 4.3035 8.9674 114.0673 61.3692 62.7894 176.7159 71 W 3.9862 8.3197 131.0975 60.3320 30.2570 178.1070 72 W 4.1181 7.7764 117.3888 59.8382 28.7646 178.3055 73 F 4.6258 8.3204 117.6057 60.4856 37.8939 177.6260 74 A 4.0411 8.6150 120.9265 55.2851 17.9454 179.7717 75 R 3.8895 7.5282 114.5611 58.1517 30.1894 177.3966 76 A 4.2783 7.7931 120.1405 51.8838 19.5158 176.7001 77 I 4.4926 7.0700 108.1169 58.4821 40.2173 175.6510 78 S 4.5235 8.1292 116.1417 57.3736 64.1005 175.2578 79 I 3.8050 8.1483 121.2603 63.9856 36.8769 177.8044 80 S 4.2893 7.5412 112.3692 59.7761 63.0740 174.3304 81 S 4.8721 7.7129 118.0186 57.6727 65.1384 173.1178 82 R 4.9157 8.8524 118.6347 54.7966 34.9451 174.5418 83 V 4.6770 8.5941 121.9863 61.2842 33.9143 175.0063 84 V 4.9868 8.7371 127.3491 60.3719 34.9864 174.1005 *86 I 4.5091 7.9616 122.6876 61.3830 38.7191 174.4396 87 D 5.1592 8.7011 124.8135 52.3582 44.6182 174.1811 88 P 4.4048 0.0000 0.0000 63.9626 32.1909 175.3403 89 D 4.7941 8.4643 120.5050 52.4639 42.0285 176.6880 90 R 3.9811 8.7211 126.8523 59.7038 30.0330 178.5275 91 D 4.4691 8.7324 118.5098 56.8709 40.7612 178.4463 92 N 4.4199 8.3118 117.4896 56.0798 38.6150 177.6421 93 V 3.6424 7.7006 119.2239 65.9519 31.7297 177.5791 94 E 3.9295 8.3330 119.1942 59.3615 29.2485 178.2207 95 H 4.0765 7.9521 116.8123 59.1829 30.0240 176.8094 96 A 4.1772 7.9029 121.3985 55.0872 18.4911 179.1967 97 R 4.0745 8.3098 117.5230 59.6209 30.0629 179.5148 98 R 3.9867 7.8217 113.7445 57.3398 29.2647 178.3241 *100 L 4.5820 7.8225 120.9069 55.2909 44.0294 178.8872 101 H 4.1665 8.7277 118.6618 59.3725 30.0869 176.8983 102 D 4.3721 8.4597 118.5672 57.2878 40.5881 177.4210 103 N 4.5523 8.2279 113.9243 52.7463 38.1486 176.4599 104 G 3.9206 8.1098 108.7946 45.8228 0.0000 175.2103 105 L 4.4931 7.6746 116.6152 55.4590 41.1889 178.5508 106 I 3.8573 7.6345 120.3371 63.0632 38.0668 176.9340 107 D 4.5885 8.0466 118.8442 55.2326 39.7623 176.6872 108 R 4.7024 8.2103 119.0399 55.7015 32.1183 174.2780 109 V 4.9604 7.6867 116.0802 61.6406 34.3832 174.0647 110 E 4.6272 9.5121 129.1420 54.6308 31.2790 174.2423 111 L 4.9462 8.5653 126.6904 53.1182 44.5864 176.0418 112 Q 4.5645 8.4022 120.5955 54.1891 33.3318 174.0125 113 V 4.3162 8.5566 123.8786 61.9754 32.3608 175.6946 114 G 3.8325 7.9393 115.9935 45.0200 0.0000 171.1335 115 D 4.5112 7.9893 119.7033 53.1377 41.7672 175.3414 116 P 4.3072 0.0000 0.0000 66.1335 31.5438 178.6168 117 L 4.0499 7.9957 116.9223 57.2163 41.4287 179.5580 118 G 3.6140 8.0736 105.3144 47.8282 0.0000 175.6045 119 I 3.9283 7.9730 122.1671 63.9826 37.2405 178.2738 120 A 4.0103 8.2309 121.5024 55.1062 17.9535 179.1926 121 A 4.1531 7.9427 117.7871 54.0952 18.5104 179.0806 122 G 3.7583 7.8514 102.9944 45.0526 0.0000 174.2937 123 Q 4.3844 7.2851 119.8931 55.5062 29.6858 175.4165 124 R 4.6420 7.7313 117.5746 55.3802 34.1797 174.5268 125 D 4.3693 8.7271 116.7321 55.3714 38.7032 174.6350 126 I 3.7823 7.9826 119.7965 62.0023 37.8281 177.8687 127 D 4.6192 9.2792 127.1342 55.9223 42.7582 176.8051 128 I 5.0081 7.4866 118.4886 59.3630 41.4306 174.0972 129 L 5.0428 8.7612 129.4301 53.4024 43.9069 175.5287 130 F 5.3459 8.7426 128.9376 56.2682 41.7361 174.4687 *132 D 4.3061 8.3378 120.0405 54.1558 41.6501 175.6246 133 C 4.4524 8.9570 124.6292 62.2648 28.0928 175.2800 134 D 4.4193 9.1562 120.0645 56.3409 40.6817 178.1798 135 V 3.8215 7.5098 116.6681 62.8901 32.7009 175.4653 136 F 4.9401 7.6555 116.5952 54.8219 42.4726 174.8584 137 N 4.6329 8.7202 122.1234 52.4712 39.0543 175.7364 138 G 2.0425 8.3034 115.6964 47.4231 0.0000 173.5836 139 A 3.9780 8.0797 125.0865 55.6424 18.4842 179.9867 140 D 4.2728 7.8360 119.0006 58.4297 39.7476 180.5799 141 V 3.5915 7.2733 118.8567 65.7672 31.5667 177.7063 142 L 4.0829 7.8469 119.2439 57.7203 41.9549 178.1496 143 E 4.1445 8.0370 118.9190 59.2100 29.6359 178.2484 144 R 4.1849 7.3454 114.4614 56.8850 30.2835 176.6504 *146 N 4.8615 8.0222 120.0303 53.6012 40.5323 176.5032 147 R 4.0765 8.0244 112.5280 58.4011 29.7783 176.7343 148 C 4.4434 7.9026 115.2228 60.0372 29.0624 173.1010 149 L 4.7722 7.4950 120.0831 54.1888 42.2458 176.8899 150 A 4.3573 8.8878 124.8843 50.7405 20.3604 176.6713 151 K 3.9334 8.5254 120.3637 57.6392 32.7576 176.0993 152 N 4.2979 8.8802 122.3844 52.9245 36.8799 174.5289 153 A 4.3156 7.3486 118.2699 52.1284 20.1843 177.1039 154 L 5.1700 8.8474 122.0361 53.2403 44.7638 174.9795 155 L 4.9786 9.4067 129.4221 54.1575 43.8370 175.1438 156 I 4.9648 9.0356 126.8588 59.6543 40.2398 174.3480 157 A 4.5854 9.1606 130.3390 50.0901 21.3578 176.1007 158 V 4.3068 8.0577 115.6861 60.3939 34.1404 175.5724 159 N 4.4333 8.7900 114.9173 53.5408 35.7656 175.8226 160 A 4.2648 8.1579 121.3942 53.8682 19.1541 179.1667 161 L 4.6597 8.0529 114.6191 55.2805 44.1209 176.6737 162 R 4.6583 7.5273 115.1187 54.8883 32.2926 175.0449 163 R 4.6942 7.8098 117.0678 55.8673 29.9228 177.7855 164 G 3.8220 8.9918 112.3971 46.3029 0.0000 174.2380 *178 L 4.1455 7.7028 118.9742 54.0775 42.5212 178.1018 179 R 4.6539 7.8290 111.9751 55.0819 32.1771 175.4121 180 E 3.9897 8.9190 117.9166 59.6488 29.2324 178.3639 181 F 4.5224 8.3323 119.9191 61.1598 39.2560 176.7113 182 N 4.1345 8.3222 116.5185 56.5737 38.0910 177.0390 183 H 4.0821 7.9832 116.0640 58.8411 29.1451 177.0174 184 H 4.2404 8.2224 120.1136 59.3635 29.9761 177.2722 185 L 3.7097 7.8196 122.4906 57.6801 41.5293 179.0027 186 S 4.0762 7.4634 113.7736 60.6646 63.0089 175.0877 187 R 4.2304 7.3556 119.1407 55.8524 30.1504 176.4139 188 R 4.3485 7.5782 121.4699 55.1316 29.6121 178.0956 189 R 4.1524 8.5362 122.4909 58.1083 29.7773 174.2818 190 D 4.7564 8.1235 114.7086 54.4150 40.1659 175.5812 191 F 5.3308 8.2232 118.1208 55.8485 43.0842 173.8574 192 F 5.0116 9.5201 124.9266 56.8434 41.0119 174.5671 193 T 5.2153 7.7732 115.3568 60.3988 71.9104 172.9249 194 T 4.5901 8.6251 116.1313 60.8492 71.5790 172.2606 195 I 4.9093 8.2553 126.8830 59.6848 39.7024 175.1632 196 V 4.3261 8.7699 121.8237 58.3191 33.3186 175.5694 197 P 4.8089 0.0000 0.0000 62.2570 30.8309 176.4436 198 V 4.3478 7.4811 118.0713 61.7639 34.8752 176.0341 199 G 3.9201 8.1278 111.4646 47.4915 0.0000 173.7904 200 N 4.6458 8.9308 122.8075 52.4784 38.7096 174.3443 201 G 4.0686 8.9116 108.2506 45.8653 0.0000 172.9610 202 V 4.8189 8.5764 122.7802 60.8782 34.6062 173.8707 203 L 4.8235 9.0196 131.3411 54.1563 43.7375 175.0451 204 L 5.2808 9.1603 126.6785 52.9103 44.8088 175.5813 205 G 4.4945 9.2369 111.2810 44.5986 0.0000 170.6479 206 Y 5.1661 9.2725 128.0197 55.8300 40.9489 174.5316 207 R 3.1989 8.4511 128.5430 55.8228 30.4096 176.9891 208 L 4.3571 8.2591 127.6815 56.3669 42.4334 177.7786 209 S 4.1271 7.4129 118.9094 58.2761 63.2253 173.6757 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 I 8.01 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.07 0.92 0.00 0.00 3 P 0.00 4.30 0.00 2.26 2.05 0.00 3.74 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 2.05 0.00 4 I 8.45 4.17 1.88 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 1.30 0.64 0.95 0.00 0.00 5 V 7.37 4.17 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 0.80 0.00 0.00 0.94 0.00 0.00 6 D 8.72 4.39 0.00 2.83 2.56 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 7 S 8.83 4.19 0.00 4.10 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 0.00 8 R 8.23 3.99 0.00 2.09 2.02 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 9 I 7.97 3.91 2.06 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 1.58 0.89 0.98 0.00 0.00 10 G 8.29 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 0.00 0.00 0.00 11 A 8.10 4.03 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 12 Y 8.20 4.10 0.00 3.11 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.01 3.84 0.00 1.79 1.68 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.12 4.56 0.00 2.88 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 15 G 7.87 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.30 4.04 0.00 1.59 1.59 0.55 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17 L 6.91 4.04 0.00 1.75 1.60 0.91 1.03 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 18 P 0.00 4.58 0.00 2.19 2.09 0.00 3.78 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 2.01 1.96 0.00 19 E 8.42 4.00 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 20 A 8.28 4.24 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 21 D 8.49 4.47 0.00 2.80 2.43 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 22 P 0.00 4.18 0.00 2.25 2.26 0.00 3.74 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 2.04 2.00 0.00 23 V 7.96 3.24 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 0.49 0.00 0.00 0.96 0.00 0.00 24 V 6.96 3.04 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 0.84 0.00 0.00 -0.37 0.00 0.00 25 A 7.95 4.10 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 26 A 8.41 3.96 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 *28 E 8.35 4.18 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 29 Q 7.69 3.93 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 30 I 7.63 4.00 1.80 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 1.45 0.97 0.82 0.00 0.00 31 A 7.81 3.96 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 32 R 7.82 3.88 0.00 2.03 2.08 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 33 E 8.31 4.42 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 34 R 7.13 4.42 0.00 1.87 1.92 0.00 3.27 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 35 N 7.64 4.08 0.00 3.01 2.82 0.00 0.00 6.98 7.90 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 36 I 8.01 4.43 1.85 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 1.34 0.79 0.91 0.00 0.00 37 P 0.00 4.54 0.00 2.20 2.05 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 38 I 7.84 4.74 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 1.32 0.76 0.92 0.00 0.00 39 V 8.42 3.67 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 0.78 0.00 0.00 1.13 0.00 0.00 40 D 8.51 4.67 0.00 2.99 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 41 R 8.37 3.86 0.00 1.96 1.97 0.00 3.29 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 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1.02 1.13 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 51 A 8.24 4.06 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 0.00 0.00 0.00 52 R 7.81 3.74 0.00 1.76 1.89 0.00 3.21 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.38 0.00 53 I 7.59 3.86 2.01 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 1.41 0.65 0.92 0.00 0.00 54 K 8.28 4.04 0.00 1.88 2.00 0.00 1.93 0.00 0.00 1.81 0.00 0.00 3.33 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.55 7.81 55 Q 8.03 3.37 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 56 P 0.00 4.51 0.00 2.13 2.03 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 57 Q 9.26 4.33 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.13 0.00 58 L 7.95 5.04 0.00 1.68 1.42 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.97 3.93 1.95 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 1.47 0.72 0.98 0.00 0.00 120 A 8.23 4.01 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 0.00 121 A 7.94 4.15 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 0.00 122 G 7.85 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 0.00 123 Q 7.29 4.38 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 124 R 7.73 4.64 0.00 1.72 1.76 0.00 3.51 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 125 D 8.73 4.37 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.98 3.78 1.86 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 1.21 0.68 0.93 0.00 0.00 127 D 9.28 4.62 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.49 5.01 1.63 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 1.26 0.69 0.92 0.00 0.00 129 L 8.76 5.04 0.00 1.77 1.54 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.74 5.35 0.00 3.23 3.06 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 *132 D 8.34 4.31 0.00 2.89 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 0.00 133 C 8.96 4.45 0.00 3.17 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 0.00 134 D 9.16 4.42 0.00 2.81 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 0.00 135 V 7.51 3.82 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 136 F 7.66 4.94 0.00 2.95 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 0.00 137 N 8.72 4.63 0.00 2.82 2.71 0.00 0.00 6.92 7.92 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 0.00 138 G 8.30 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 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.08 3.98 1.17 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 0.00 140 D 7.84 4.27 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.27 3.59 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 0.69 0.00 0.00 0.55 0.00 0.00 142 L 7.85 4.08 0.00 1.81 1.86 0.93 1.09 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 0.00 143 E 8.04 4.14 0.00 2.38 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 2.32 2.23 0.00 144 R 7.35 4.18 0.00 1.91 1.89 0.00 3.22 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 *146 N 8.02 4.86 0.00 3.11 2.91 0.00 0.00 6.86 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 0.00 147 R 8.02 4.08 0.00 2.22 2.06 0.00 3.19 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.22 0.00 148 C 7.90 4.44 0.00 2.99 3.07 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 0.00 149 L 7.49 4.77 0.00 1.67 1.59 1.17 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.89 4.36 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 0.00 151 K 8.53 3.93 0.00 1.72 1.69 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.29 7.81 152 N 8.88 4.30 0.00 2.81 2.65 0.00 0.00 6.92 6.87 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 0.00 153 A 7.35 4.32 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 0.00 154 L 8.85 5.17 0.00 1.89 1.61 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 155 L 9.41 4.98 0.00 1.89 1.69 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 156 I 9.04 4.96 2.20 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 1.33 0.84 1.14 0.00 0.00 157 A 9.16 4.59 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 0.00 158 V 8.06 4.31 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 0.87 0.00 0.00 0.92 0.00 0.00 159 N 8.79 4.43 0.00 2.86 3.10 0.00 0.00 7.26 7.35 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 0.00 160 A 8.16 4.26 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.05 4.66 0.00 1.77 1.70 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 162 R 7.53 4.66 0.00 1.94 1.97 0.00 2.97 0.00 0.00 3.51 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 163 R 7.81 4.69 0.00 1.85 1.76 0.00 3.16 0.00 0.00 3.06 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 164 G 8.99 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *178 L 7.70 4.15 0.00 1.70 1.53 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 179 R 7.83 4.65 0.00 1.97 2.06 0.00 2.97 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 180 E 8.92 3.99 0.00 2.13 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 2.40 2.49 0.00 181 F 8.33 4.52 0.00 2.96 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 0.00 182 N 8.32 4.13 0.00 2.82 2.72 0.00 0.00 6.88 7.52 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 0.00 183 H 7.98 4.08 0.00 3.30 3.37 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 H 8.22 4.24 0.00 3.33 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 7.82 3.71 0.00 0.71 1.03 0.20 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 186 S 7.46 4.08 0.00 3.88 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 0.00 187 R 7.36 4.23 0.00 1.92 1.94 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 188 R 7.58 4.35 0.00 2.00 2.25 0.00 2.94 0.00 0.00 3.06 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 189 R 8.54 4.15 0.00 1.83 1.85 0.00 3.25 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 190 D 8.12 4.76 0.00 2.72 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 0.00 191 F 8.22 5.33 0.00 2.85 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 F 9.52 5.01 0.00 3.23 3.07 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 0.00 193 T 7.77 5.22 4.10 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 1.19 0.00 0.00 194 T 8.63 4.59 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 1.27 0.00 0.00 195 I 8.26 4.91 1.83 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 1.30 0.71 0.90 0.00 0.00 196 V 8.77 4.33 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 0.74 0.00 0.00 0.98 0.00 0.00 197 P 0.00 4.81 0.00 2.18 2.11 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 198 V 7.48 4.35 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 0.86 0.00 0.00 0.91 0.00 0.00 199 G 8.13 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 0.00 0.00 0.00 0.00 200 N 8.93 4.65 0.00 2.88 3.04 0.00 0.00 7.01 7.58 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 0.00 201 G 8.91 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 0.00 0.00 0.00 0.00 202 V 8.58 4.82 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 1.05 0.00 0.00 1.00 0.00 0.00 203 L 9.02 4.82 0.00 1.79 1.69 0.82 0.11 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 0.00 204 L 9.16 5.28 0.00 1.65 1.64 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 205 G 9.24 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 Y 9.27 5.17 0.00 3.19 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 0.00 207 R 8.45 3.20 0.00 1.58 1.42 0.00 3.14 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.00 208 L 8.26 4.36 0.00 1.62 1.71 1.06 0.81 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 0.00 209 S 7.41 4.13 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.