NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 C 4.4628 8.3449 118.3661 59.9825 28.7152 173.2231 6 E 4.0649 7.8840 119.4154 54.4884 28.3814 174.5113 7 M 4.1042 9.1264 123.3907 55.9891 33.8664 175.6147 8 K 4.7104 9.1841 121.3562 54.7320 36.2056 175.6007 9 R 5.1388 8.1729 121.6960 54.5024 34.0138 174.6870 10 T 4.2607 7.8342 111.3688 61.9236 71.4949 171.4383 11 T 5.1105 8.7978 118.5260 59.7972 71.2796 172.9818 12 L 4.8376 9.3333 127.7653 53.2427 45.1425 174.8278 13 D 5.2133 8.7535 125.9760 54.0002 41.8549 175.7948 14 S 4.6465 9.5474 117.5850 55.6473 66.4923 173.0905 15 P 4.0379 0.0000 0.0000 65.3356 30.8980 177.9188 16 L 3.6669 6.6713 115.7951 55.1401 42.9763 175.6792 17 G 3.8983 6.6406 107.5040 44.2010 0.0000 175.3667 18 K 4.9081 9.0298 128.1304 54.4926 34.1239 174.3451 19 L 4.8884 9.0418 126.4992 53.2811 43.9750 175.3521 20 E 4.8381 9.5610 125.8527 54.6260 31.5490 174.4306 21 L 5.0788 9.6477 129.8081 53.6129 43.4536 176.1525 22 S 5.1786 8.7556 118.7169 56.9206 66.3137 173.5966 23 G 4.3723 9.1086 110.3821 46.3733 0.0000 171.4201 24 C 5.1132 8.5839 115.8791 58.0488 29.9428 174.1648 25 E 4.3797 8.6753 115.9240 57.1227 30.0439 176.3483 26 Q 4.2519 8.7740 116.5544 55.2064 29.2820 174.7167 27 G 4.3306 7.6544 104.7996 42.6476 0.0000 172.3867 28 L 4.2902 9.9146 123.2125 55.6027 42.4425 177.0878 29 H 4.5037 8.7738 122.5088 57.6968 30.4020 175.1346 30 E 4.9524 8.3846 115.4966 55.4868 33.7219 174.7249 31 I 4.8115 8.5519 127.0471 59.4496 39.2004 175.0556 32 K 4.5691 8.6525 127.5129 54.4326 35.6464 174.4011 33 L 4.7399 8.5246 129.2626 54.2091 42.3796 175.9046 34 L 4.2138 9.1902 127.8301 56.2270 42.2095 178.4604 35 G 4.3037 8.3454 117.8512 46.5008 0.0000 174.0438 *55 G 3.9116 7.5850 109.0471 44.5959 0.0000 172.5591 56 P 4.4129 0.0000 0.0000 62.4693 33.2205 176.8870 57 E 3.9105 8.6253 120.1982 59.2194 29.9144 177.4849 58 P 4.5143 0.0000 0.0000 64.8040 31.2368 178.3755 59 L 4.1393 7.6940 117.9542 57.5651 41.8838 178.8792 60 M 4.1037 7.8999 118.3972 58.4465 31.8730 178.6207 61 Q 4.1113 8.6856 118.5532 59.3549 28.8445 178.7982 62 C 4.1734 8.0178 118.9862 62.6361 31.5689 175.6947 63 T 3.8989 8.3157 117.5076 66.5997 68.0397 176.1093 64 A 4.1158 8.6148 122.9121 55.1529 18.3744 179.0725 65 W 3.8615 8.6719 126.7505 60.8354 30.6883 178.0658 66 L 4.0664 8.5701 118.8053 57.9994 40.9939 179.3168 67 N 4.4064 8.3657 116.1108 56.1428 38.4609 177.1870 68 A 3.5129 7.5455 122.1189 55.3118 18.0773 178.7830 69 Y 3.5140 6.9059 116.5075 60.8214 38.6078 178.1104 70 F 4.9172 7.4466 116.8200 58.9516 39.7370 175.7281 71 H 5.0961 8.5497 115.4304 54.5508 29.8487 173.0336 72 Q 5.6603 7.8261 124.2335 55.5220 32.7306 172.7450 73 P 3.8458 0.0000 0.0000 64.2044 31.1123 176.9953 74 E 3.8004 8.1874 119.5273 59.5696 29.8209 178.3191 75 A 4.4852 7.6853 119.8995 52.3323 19.1218 179.0627 76 I 3.4528 7.4275 122.1944 65.5178 37.9790 178.0060 77 E 4.2647 8.1643 117.3551 58.2659 29.5323 177.3744 78 E 4.2490 8.1412 119.6525 58.1952 30.1967 177.0211 79 F 4.2181 8.1790 116.5362 56.7296 39.4720 173.3363 80 P 4.5176 0.0000 0.0000 62.1637 31.8519 176.4601 81 V 3.6156 8.3306 123.3786 61.6822 32.1219 174.0778 82 P 4.3919 0.0000 0.0000 62.2813 31.9969 175.5536 83 A 4.1783 8.2725 121.2675 51.9149 19.6953 176.2304 84 L 4.7052 8.2142 121.6980 53.3350 43.1563 175.8868 85 H 4.8133 9.1005 122.3883 55.9155 31.2242 172.9322 86 H 4.3919 8.3871 117.5971 55.0094 30.4005 174.3365 87 P 3.9851 0.0000 0.0000 65.6203 31.0680 177.7576 88 V 3.6720 8.0322 117.0936 63.6052 31.5455 176.2647 89 F 4.7864 8.7315 120.3462 57.7484 38.8518 176.1009 90 Q 4.5871 7.5908 116.8078 54.8108 30.5270 175.1147 91 Q 4.4215 7.5134 112.5967 54.9388 30.3938 173.2565 92 E 3.9020 8.9076 121.7442 56.7764 30.0877 176.3494 93 S 4.6719 8.3642 119.3005 55.4924 66.3343 174.3443 94 F 4.0683 9.2722 125.4319 62.3438 38.9548 177.8117 95 T 3.6952 8.0901 114.4250 66.6074 68.1827 176.4000 96 R 3.6374 8.5755 121.3356 58.9758 30.0292 178.1508 97 Q 4.0621 7.9443 118.9977 59.7193 29.1059 177.9009 98 V 3.4227 7.7404 119.3087 65.8471 31.4046 177.4842 99 L 4.0553 8.1258 118.2853 58.0492 41.5947 179.5885 100 W 4.2141 8.6136 128.0185 60.2425 30.7122 177.7699 101 K 3.2392 8.5625 118.7168 59.4841 31.2470 178.4453 102 L 3.8365 8.2470 120.3436 58.3597 41.6945 178.8319 103 L 3.9454 7.4990 118.2733 58.2333 42.1142 178.8732 104 K 3.9814 7.6145 117.1828 59.8059 31.9861 178.8739 105 V 3.9501 8.1139 118.4404 64.2156 31.8220 176.4099 106 V 3.7324 7.4538 128.0010 63.1838 30.4506 176.2580 107 K 4.4510 10.3883 127.6839 54.4925 34.1468 176.6492 108 F 3.9372 8.8639 120.7723 60.1787 39.4127 177.1288 109 G 3.8491 7.7791 112.2139 46.3804 0.0000 173.7658 110 E 4.4623 7.7887 118.8319 55.9013 30.9199 175.2466 111 V 4.6532 7.6392 111.1905 60.9142 35.8022 173.6155 112 I 4.8050 8.6991 121.9675 59.7860 41.9687 173.9281 113 S 5.3705 9.0036 121.0918 56.9638 65.0292 174.3994 114 Y 4.1385 8.6788 119.2449 61.9833 37.5665 179.1508 115 Q 4.2121 8.3097 119.3292 59.3136 29.0650 178.3815 116 Q 3.9818 8.0156 119.1993 58.7893 28.7528 178.4816 117 L 3.8905 8.1603 121.1720 58.0611 41.9188 178.3084 118 A 4.0658 8.2595 119.6602 55.5389 18.5244 179.0369 119 A 4.1247 8.3771 118.3948 55.4450 18.3812 179.3609 120 L 3.8159 8.0471 117.3558 58.3653 42.0354 178.1521 121 A 4.1734 8.3776 120.7499 53.3467 19.0554 176.6712 122 G 3.4953 7.9044 109.2609 45.5663 0.0000 173.7932 123 N 4.7325 8.1762 124.7144 50.9510 38.7070 173.5566 124 P 4.4484 0.0000 0.0000 65.2463 31.7487 177.3365 125 K 4.3314 8.3105 116.1074 56.5912 32.3268 176.9463 126 A 4.6429 7.6291 120.4732 51.9061 20.0139 179.5485 127 A 4.0640 8.1450 125.1927 57.1445 18.9077 179.7989 128 R 3.8719 7.9817 116.3266 59.0984 30.1359 178.3072 129 A 4.0195 7.9849 120.4020 55.2207 18.4741 179.3603 130 V 3.7632 8.2802 116.8923 66.3549 31.4554 178.4633 131 G 3.6605 8.0301 105.0777 47.5298 0.0000 175.9658 132 G 3.5653 7.9782 107.3340 47.6870 0.0000 175.2339 133 A 4.1526 8.1317 122.6882 55.3515 18.4701 179.4123 134 M 4.2043 8.2279 116.9666 58.5622 31.8568 178.9467 135 R 4.0604 7.8682 118.0707 59.2244 30.3662 178.2819 136 G 3.8258 8.4224 103.9331 44.8632 0.0000 173.3651 137 N 4.3146 7.2892 120.2819 53.5889 39.3684 172.8066 138 P 4.5395 0.0000 0.0000 64.0253 32.5957 175.5522 139 V 4.8033 8.3182 113.3935 58.6048 31.4974 173.2511 140 P 4.6371 0.0000 0.0000 63.0457 32.5545 176.5383 141 I 3.5312 8.4764 124.9154 62.3570 35.6095 175.4611 142 L 3.0801 7.6506 119.3857 57.4648 41.9262 177.1537 143 I 4.1367 7.2457 124.1337 58.7202 36.6781 173.3187 144 P 4.6022 0.0000 0.0000 63.4123 28.9429 176.5108 145 C 4.3909 8.0875 117.2694 59.4009 30.3830 175.0729 146 H 4.5213 7.9947 116.8101 57.9808 28.9921 176.8561 147 R 4.0143 7.3411 116.7681 56.5987 29.7493 175.3880 148 V 4.4585 7.1106 118.8577 61.4976 32.6269 175.0967 149 V 4.4227 8.5044 121.6445 59.2272 35.6737 174.7508 150 C 4.9176 8.4330 118.3818 59.5342 29.0658 175.5723 151 S 4.3203 8.9110 114.8914 59.5072 62.6445 174.6215 152 S 4.5516 8.0581 114.8634 57.9086 63.3410 175.3219 153 G 4.0168 8.5399 111.7175 45.8754 0.0000 174.3952 154 A 4.1774 7.4343 122.0510 52.6423 19.9208 178.1575 155 V 4.3304 7.6920 122.7775 62.8453 29.9149 177.4146 *161 G 3.8779 8.5785 104.4347 44.6982 0.0000 173.8291 162 L 3.9809 8.1540 123.8964 57.5420 41.8337 178.0191 163 A 4.0496 8.1380 120.5307 55.4098 18.2415 179.5073 164 V 3.6213 7.6140 116.0838 66.0132 31.4992 177.9434 165 K 3.9648 8.1507 118.7772 59.8804 31.9946 178.4122 166 E 4.0212 8.3778 118.6625 59.0960 29.2253 179.2318 167 W 4.0346 8.7310 129.0729 60.3229 30.8021 178.1855 168 L 4.5394 8.9368 119.5541 57.9883 41.1219 179.4611 169 L 4.0595 8.4599 119.0685 57.6534 41.4781 179.4322 170 A 3.8774 8.2245 120.9693 55.4524 18.1303 179.1592 171 H 3.7919 7.9281 115.5419 58.3248 29.7580 176.0347 172 E 4.5084 7.5163 118.8880 55.4164 30.5693 175.8185 173 G 3.8554 7.9052 105.4968 46.9110 0.0000 174.3835 174 H 4.7428 7.8504 115.5017 54.0109 30.1668 176.5734 175 R 4.3358 8.2043 120.5346 56.1463 32.0614 177.1877 176 L 4.4629 8.0453 121.9171 54.3930 40.8494 177.1137 177 G 4.3186 8.7363 114.2593 47.1295 0.0000 172.7715 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 C 8.34 4.46 0.00 3.00 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 6 E 7.88 4.06 0.00 2.03 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 2.30 2.39 0.00 7 M 9.13 4.10 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 8 K 9.18 4.71 0.00 1.83 1.65 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.53 7.81 9 R 8.17 5.14 0.00 1.65 1.82 0.00 3.43 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 10 T 7.83 4.26 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 1.29 0.00 0.00 11 T 8.80 5.11 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 1.22 0.00 0.00 12 L 9.33 4.84 0.00 1.74 1.57 1.06 1.26 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 13 D 8.75 5.21 0.00 2.62 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 14 S 9.55 4.65 0.00 3.94 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 0.00 15 P 0.00 4.04 0.00 0.95 2.07 0.00 2.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.85 0.00 16 L 6.67 3.67 0.00 1.44 1.45 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17 G 6.64 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 9.03 4.91 0.00 1.81 1.72 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.44 7.81 19 L 9.04 4.89 0.00 1.70 1.61 1.05 0.59 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 20 E 9.56 4.84 0.00 2.00 1.83 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 2.22 2.27 0.00 21 L 9.65 5.08 0.00 1.56 1.59 0.96 0.48 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 22 S 8.76 5.18 0.00 3.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.11 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.58 5.11 0.00 3.08 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 25 E 8.68 4.38 0.00 1.95 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 2.23 2.30 0.00 26 Q 8.77 4.25 0.00 1.69 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.19 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 27 G 7.65 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 0.00 0.00 0.00 0.00 28 L 9.91 4.29 0.00 1.74 1.45 0.96 1.04 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 29 H 8.77 4.50 0.00 3.23 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.38 4.95 0.00 2.05 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 2.14 2.35 0.00 31 I 8.55 4.81 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.69 0.89 0.00 0.00 32 K 8.65 4.57 0.00 1.81 1.60 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.35 7.81 33 L 8.52 4.74 0.00 1.66 1.54 0.99 0.99 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 34 L 9.19 4.21 0.00 1.54 1.69 0.92 0.98 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 35 G 8.35 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 0.00 0.00 0.00 0.00 *55 G 7.59 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 56 P 0.00 4.41 0.00 2.28 2.20 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 57 E 8.63 3.91 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 2.38 2.42 0.00 58 P 0.00 4.51 0.00 2.18 2.06 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 59 L 7.69 4.14 0.00 1.96 1.72 0.99 1.02 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 60 M 7.90 4.10 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.01 0.00 61 Q 8.69 4.11 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 62 C 8.02 4.17 0.00 3.11 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 63 T 8.32 3.90 4.46 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 1.28 0.00 0.00 64 A 8.61 4.12 1.67 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 65 W 8.67 3.86 0.00 3.63 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.57 4.07 0.00 2.02 1.73 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.37 4.41 0.00 3.10 2.90 0.00 0.00 6.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.55 3.51 -0.13 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 0.00 0.00 69 Y 6.91 3.51 0.00 1.81 2.60 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 70 F 7.45 4.92 0.00 2.98 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 71 H 8.55 5.10 0.00 3.10 3.25 0.00 5.77 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.83 5.66 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.80 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 73 P 0.00 3.85 0.00 0.92 1.37 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 74 E 8.19 3.80 0.00 2.01 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 2.22 2.13 0.00 75 A 7.69 4.49 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 76 I 7.43 3.45 1.53 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.70 0.93 0.00 0.00 77 E 8.16 4.26 0.00 2.02 2.05 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 2.37 2.29 0.00 78 E 8.14 4.25 0.00 1.96 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 79 F 8.18 4.22 0.00 3.11 3.18 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 80 P 0.00 4.52 0.00 2.12 2.04 0.00 3.85 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 2.05 2.09 0.00 81 V 8.33 3.62 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 0.53 0.00 0.00 0.98 0.00 0.00 82 P 0.00 4.39 0.00 2.12 2.08 0.00 3.42 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 83 A 8.27 4.18 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.21 4.71 0.00 1.02 1.16 -0.49 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 H 9.10 4.81 0.00 3.16 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.39 4.39 0.00 3.44 3.35 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 3.99 0.00 2.17 2.15 0.00 3.07 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 88 V 8.03 3.67 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 0.40 0.00 0.00 0.53 0.00 0.00 89 F 8.73 4.79 0.00 3.12 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 90 Q 7.59 4.59 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 91 Q 7.51 4.42 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 92 E 8.91 3.90 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 93 S 8.36 4.67 0.00 3.99 3.86 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 94 F 9.27 4.07 0.00 3.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.09 3.70 4.19 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 1.13 0.00 0.00 96 R 8.58 3.64 0.00 1.66 2.03 0.00 3.25 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 97 Q 7.94 4.06 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 98 V 7.74 3.42 1.93 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 0.73 0.00 0.00 0.12 0.00 0.00 99 L 8.13 4.06 0.00 1.86 1.99 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 W 8.61 4.21 0.00 3.57 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 0.00 101 K 8.56 3.24 0.00 1.96 1.75 0.00 1.60 0.00 0.00 1.11 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.74 7.81 102 L 8.25 3.84 0.00 1.64 1.89 0.85 0.59 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 0.00 103 L 7.50 3.95 0.00 1.63 1.74 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.61 3.98 0.00 1.01 1.48 0.00 1.25 0.00 0.00 1.55 0.00 0.00 3.12 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.33 1.08 7.81 105 V 8.11 3.95 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 0.73 0.00 0.00 0.78 0.00 0.00 106 V 7.45 3.73 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 0.77 0.00 0.00 0.87 0.00 0.00 107 K 10.39 4.45 0.00 1.94 1.87 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.60 7.81 108 F 8.86 3.94 0.00 3.16 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 0.00 109 G 7.78 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 7.79 4.46 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 111 V 7.64 4.65 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 0.45 0.00 0.00 0.84 0.00 0.00 112 I 8.70 4.80 1.81 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 1.22 1.46 0.81 0.00 0.00 113 S 9.00 5.37 0.00 4.07 3.94 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 0.00 114 Y 8.68 4.14 0.00 3.06 3.29 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 0.00 115 Q 8.31 4.21 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 116 Q 8.02 3.98 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 117 L 8.16 3.89 0.00 1.72 1.88 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.26 4.07 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 0.00 119 A 8.38 4.12 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 0.00 120 L 8.05 3.82 0.00 1.77 1.86 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.38 4.17 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 0.00 122 G 7.90 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 0.00 0.00 0.00 123 N 8.18 4.73 0.00 2.84 2.95 0.00 0.00 6.88 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 0.00 124 P 0.00 4.45 0.00 2.24 2.20 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 125 K 8.31 4.33 0.00 1.85 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.38 7.81 126 A 7.63 4.64 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 0.00 127 A 8.15 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 7.98 3.87 0.00 1.85 1.89 0.00 3.14 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 129 A 7.98 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.76 2.50 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 1.14 0.00 0.00 1.19 0.00 0.00 131 G 8.03 3.66 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 0.00 0.00 0.00 132 G 7.98 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.13 4.15 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 0.00 134 M 8.23 4.20 0.00 2.17 2.50 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 3.16 0.00 135 R 7.87 4.06 0.00 1.85 2.12 0.00 3.27 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 136 G 8.42 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 0.00 0.00 0.00 137 N 7.29 4.31 0.00 2.68 2.90 0.00 0.00 7.15 8.97 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 0.00 138 P 0.00 4.54 0.00 2.37 2.00 0.00 3.77 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 2.14 1.90 0.00 139 V 8.32 4.80 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 0.71 0.00 0.00 0.91 0.00 0.00 140 P 0.00 4.64 0.00 2.02 1.99 0.00 3.83 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 2.02 2.10 0.00 141 I 8.48 3.53 1.72 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.27 0.39 0.00 0.00 142 L 7.65 3.08 0.00 1.09 1.51 -0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.25 4.14 2.00 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 0.56 0.98 0.00 0.00 144 P 0.00 4.60 0.00 2.10 2.27 0.00 3.65 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 145 C 8.09 4.39 0.00 3.13 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 0.00 146 H 7.99 4.52 0.00 3.38 3.60 0.00 5.45 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.34 4.01 0.00 2.01 1.96 0.00 3.00 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.08 0.00 148 V 7.11 4.46 1.80 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 0.08 0.00 0.00 0.80 0.00 0.00 149 V 8.50 4.42 2.24 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 0.59 0.00 0.00 0.85 0.00 0.00 150 C 8.43 4.92 0.00 3.11 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 0.00 151 S 8.91 4.32 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 8.06 4.55 0.00 4.02 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 0.00 153 G 8.54 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.43 4.18 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 0.00 155 V 7.69 4.33 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 0.85 0.00 0.00 0.94 0.00 0.00 *161 G 8.58 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 0.00 162 L 8.15 3.98 0.00 1.80 1.72 0.97 1.04 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 0.00 163 A 8.14 4.05 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 0.00 164 V 7.61 3.62 2.25 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 0.95 0.00 0.00 0.90 0.00 0.00 165 K 8.15 3.96 0.00 1.93 2.00 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.63 7.81 166 E 8.38 4.02 0.00 2.33 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 2.38 2.60 0.00 167 W 8.73 4.03 0.00 3.52 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 L 8.94 4.54 0.00 2.01 1.81 0.72 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.46 4.06 0.00 1.86 1.78 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 170 A 8.22 3.88 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 0.00 171 H 7.93 3.79 0.00 2.15 3.53 0.00 5.93 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 7.52 4.51 0.00 1.85 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 1.47 2.13 0.00 173 G 7.91 3.86 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 0.00 0.00 0.00 174 H 7.85 4.74 0.00 3.24 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 R 8.20 4.34 0.00 1.80 1.91 0.00 3.19 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 176 L 8.05 4.46 0.00 1.63 1.43 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 177 G 8.74 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.