NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5829 8.3649 119.5496 52.9970 42.0616 175.2683 5 D 4.6590 7.9630 118.2887 54.3619 42.0508 170.0760 6 V 4.7718 7.8021 119.6168 61.1690 33.7493 174.5844 7 V 4.4609 8.7139 128.0672 61.0272 34.2933 174.3745 8 I 4.2713 8.7187 129.1217 60.9742 38.5507 174.9226 9 V 4.4749 8.4008 127.6478 61.7792 33.1833 174.4043 10 T 4.8197 8.8129 125.4838 62.1822 71.1359 173.3569 11 C 5.2278 8.6231 124.5122 57.6423 34.6149 172.2823 12 A 5.0385 9.2415 129.4120 50.7863 19.1297 177.4371 13 I 3.9163 8.5531 124.0678 65.4270 37.4236 177.2569 14 T 4.5579 7.9639 112.3361 61.4994 73.2492 174.1308 15 G 3.5991 8.0746 108.8100 45.4408 0.0000 172.6155 16 A 4.5771 8.2654 119.4916 51.6093 20.8726 177.4158 17 I 4.2790 7.8562 116.0458 63.8997 37.9105 176.3814 18 H 4.5881 7.9800 116.3268 55.9385 29.2107 174.8708 19 T 4.9161 8.0422 111.7565 58.9950 71.3677 172.4146 20 P 4.3930 0.0000 0.0000 66.0846 31.8567 178.4128 21 S 4.2623 8.4405 115.2894 57.9911 61.5522 174.5287 *23 S 4.0836 7.7498 114.5688 57.4123 63.3200 172.0662 24 P 4.2993 0.0000 0.0000 64.4284 31.2787 176.3682 25 Y 4.4855 7.1689 116.0435 58.4536 38.4380 175.5505 26 L 4.0985 7.4816 123.3354 54.1327 42.4730 174.6833 27 P 4.4443 0.0000 0.0000 62.6325 32.0648 175.2980 28 V 4.1483 8.9520 122.3295 64.5178 33.3253 176.8007 29 T 4.2662 7.7493 109.5484 60.2501 71.1288 173.3227 30 P 4.2186 0.0000 0.0000 66.2894 31.3603 178.7379 31 D 4.4622 8.0991 116.8797 57.3396 40.7355 178.6328 32 Q 4.0343 8.0856 118.6117 58.9787 28.7242 178.9696 33 I 3.6816 7.9231 120.8041 64.2404 37.1283 178.4152 34 V 3.5678 7.9167 119.1510 66.3362 31.3272 177.9746 35 E 3.9819 8.3013 118.0343 59.4967 29.2065 179.2835 36 E 3.9919 8.5238 118.5840 59.1314 29.4329 179.2941 37 A 3.9770 8.1062 120.9858 55.1037 18.4952 179.8610 38 V 3.5301 7.9443 116.8075 66.1381 31.6597 178.3705 39 K 3.9651 8.2506 118.0448 59.3014 31.9658 179.0760 40 A 3.9852 8.3521 121.0979 55.2245 18.3887 179.4856 41 A 4.7529 8.0512 120.5430 55.0681 18.2473 179.7571 42 E 4.0136 8.1521 115.5233 58.9088 29.6251 178.6421 43 A 4.2995 7.7496 119.1945 52.0883 18.7445 177.4685 44 G 3.7868 7.3781 104.8225 44.8556 0.0000 173.9802 45 A 4.7376 7.7298 123.3200 50.0651 19.3614 178.7445 46 G 3.5451 8.5399 107.5853 47.9383 0.0000 172.4026 *48 V 4.4407 7.7278 112.9703 61.1672 33.7408 173.7218 49 H 5.4774 9.2664 123.7835 54.5427 32.4618 172.6506 50 I 4.9073 8.7321 126.5788 59.8624 39.8701 174.4586 51 H 5.3442 8.9024 122.2361 53.9644 32.2422 172.8729 52 A 4.3481 7.7349 121.1510 50.5796 21.1036 176.3050 53 R 4.5996 7.9128 117.9004 53.8050 34.7101 174.7300 54 D 4.1444 8.8952 122.1756 53.9382 41.4665 175.5086 55 P 4.1091 0.0000 0.0000 66.2378 31.7060 178.5348 56 K 4.1794 8.4360 119.4485 57.0440 31.6692 180.4275 57 D 4.0410 7.3903 113.2283 52.1609 41.0473 175.9171 58 G 3.8490 8.2861 107.7613 45.7302 0.0000 173.8671 59 R 2.0000 7.1501 121.0039 54.4829 30.8521 174.2589 60 P 4.4681 0.0000 0.0000 63.5605 31.8520 175.4871 61 T 4.6556 7.9590 117.5189 60.6784 70.4466 173.7449 62 T 4.3696 8.5892 115.8770 61.6450 69.8318 174.1102 63 D 4.3248 7.8744 122.7108 55.2273 41.8755 177.3809 64 V 3.9208 8.5211 121.1878 64.3645 31.6204 178.2644 65 E 4.0496 8.7661 118.8201 58.9179 29.2123 179.4152 66 V 3.4987 7.8345 118.1206 65.9509 31.6309 177.6703 67 F 4.0128 8.0200 117.4871 60.6682 38.6936 177.6669 68 R 3.8417 8.3183 118.1546 59.5097 29.9333 177.7917 69 Y 3.9779 7.9670 119.1732 60.8040 38.8318 177.9272 70 I 3.6884 7.9908 120.5951 64.9016 37.2696 178.3062 71 C 3.8574 8.1649 117.5820 62.4456 27.7337 176.0252 72 R 4.0501 7.9287 120.5463 59.7609 29.4266 178.4954 73 E 3.8951 7.7895 116.9064 59.0188 29.6247 179.0716 74 I 3.8185 7.7501 120.0040 64.3710 37.4013 178.3684 75 K 4.2312 8.1743 121.7187 58.9340 31.7599 178.7483 76 K 4.0216 7.9420 118.1250 59.0569 32.0236 178.2613 77 Q 4.4478 8.0038 116.1220 55.5549 29.7766 175.7258 78 S 4.6315 7.2656 112.7048 56.8087 65.6301 173.5295 79 D 4.8277 8.6660 125.2619 53.1102 39.5409 176.7803 80 V 3.6102 7.5478 119.6901 62.3429 31.5520 176.0358 81 V 3.7403 8.1469 123.1107 63.3183 31.9098 175.1790 82 I 4.4392 8.5247 129.3127 60.1035 38.3856 174.7273 83 N 5.0295 9.3169 128.0812 52.1398 40.3061 173.7835 84 V 4.3973 8.1875 127.2286 61.9820 33.1612 175.1865 85 T 4.4912 8.4835 123.2434 62.3136 67.8222 173.9111 86 T 4.4605 8.9155 117.2587 61.6692 69.3117 174.9885 87 G 4.0854 8.7658 113.5710 47.3747 0.0000 175.1051 88 G 3.8552 7.9897 108.8788 47.1057 0.0000 173.0374 89 G 4.0484 9.1049 112.7019 45.5587 0.0000 175.8473 90 G 3.8532 8.3797 109.3623 48.5563 0.0000 175.2710 91 T 4.0590 7.5807 107.1090 62.5289 69.0885 174.7106 92 L 4.5523 8.0194 121.5944 54.6467 41.9409 177.1452 93 G 3.9328 8.1735 106.6918 45.5380 0.0000 173.5755 94 I 4.1235 7.4765 121.2287 59.5732 38.2191 174.1283 95 P 4.5920 0.0000 0.0000 61.7170 33.8637 177.1753 96 V 3.4999 8.1935 117.2099 66.2989 30.9804 177.2987 97 E 3.9015 8.1153 117.3266 59.3320 29.7797 178.1116 98 E 4.0800 8.0101 118.5453 59.3750 29.7478 178.7349 99 R 3.9615 7.8007 116.4937 59.0137 30.3915 178.4712 100 A 4.1523 8.4556 120.2373 53.9620 18.3789 179.4900 101 K 3.9587 7.9485 117.2541 58.9727 31.9242 179.4564 102 V 3.4911 7.6578 119.3805 64.5492 30.8851 178.5757 103 V 3.3242 7.7135 118.7746 65.5068 31.2232 176.3725 104 P 4.8602 0.0000 0.0000 64.7988 31.2152 178.2755 105 A 4.1280 7.6629 118.6443 54.7118 18.6771 178.8328 106 L 4.5750 8.2580 115.7567 53.4190 43.7808 176.6289 107 K 3.8684 8.4520 119.3771 56.4675 30.2695 172.5559 108 P 4.6933 0.0000 0.0000 62.6591 32.5729 177.3581 109 E 4.1805 8.7375 118.3815 59.4802 30.5810 176.8881 110 I 5.0778 7.6086 117.1181 60.0583 41.6720 173.3104 111 A 5.2445 8.9585 128.6010 50.6357 22.9318 175.7726 112 T 4.8120 8.8081 110.6112 62.0974 70.2740 174.9525 113 F 4.5112 9.1060 125.8252 57.6092 41.5624 173.6969 114 N 4.6303 8.3884 124.7821 52.0084 40.6819 174.5130 *116 G 3.5888 8.1946 107.2696 46.2630 0.0000 172.5645 117 S 5.0950 7.7887 114.1995 57.3809 63.9935 173.9530 *119 N 4.5831 8.2577 118.5994 53.7181 39.3487 174.3309 120 F 4.6509 8.4569 122.5704 57.1436 40.1641 171.8059 121 A 4.8678 8.9740 128.8677 49.9828 21.1587 176.2553 122 I 4.5931 8.7039 115.5358 60.3283 38.4979 177.1579 123 H 4.2201 8.3505 119.8326 58.8780 27.9426 175.2791 124 P 4.3657 0.0000 0.0000 64.8523 31.1073 178.1660 125 L 4.1756 8.2227 118.1094 57.4137 41.2693 179.0052 126 L 4.3586 7.9386 118.0810 57.0282 41.5611 178.7755 127 K 4.2129 8.1731 117.8306 57.7265 32.2656 177.4329 128 K 4.1220 7.9422 118.7326 56.5051 33.0306 175.6266 129 Y 4.5293 7.8711 115.3784 56.2476 40.3132 175.0696 130 K 4.4681 8.7560 125.4661 56.6118 33.6139 176.6004 131 E 4.6476 7.5517 114.6939 53.7578 32.8729 180.4519 132 F 4.8065 8.5006 121.9115 54.1450 42.5047 174.9741 133 K 3.7938 9.2362 127.0196 58.7956 32.4367 176.5577 134 Y 4.8522 7.5740 115.3384 55.7471 40.6368 176.4676 135 D 4.4299 8.9212 123.5917 57.3032 40.8542 179.2615 136 W 4.4216 8.2316 116.6877 59.4478 28.0731 177.9363 137 E 2.8815 7.0907 119.4336 58.4551 28.8083 177.5051 138 P 3.8172 0.0000 0.0000 65.6021 31.1854 178.2211 139 E 3.9505 7.4641 116.5492 59.2471 29.4193 178.3121 140 Y 4.4384 8.2774 118.9714 60.7469 39.0291 177.7040 141 L 3.7753 7.4733 118.2925 57.4984 42.1855 180.7625 142 E 4.0547 8.0289 119.3690 56.2416 27.7910 178.4161 *144 T 4.2923 7.9738 108.7351 60.8623 70.7332 175.5529 145 R 3.9983 7.7495 121.5832 58.6889 30.0238 176.1003 146 D 4.9454 7.4944 113.2336 53.7463 41.8406 174.7393 147 I 4.5088 7.7885 117.4102 58.7034 39.7107 175.5385 148 V 3.7778 8.3214 125.4414 62.3724 32.2568 175.3196 149 F 4.7093 8.8053 129.5809 57.9587 39.7376 173.3869 150 R 4.4578 8.3750 127.0836 55.2211 31.0245 176.4782 151 N 5.0299 8.7349 124.1655 52.3350 41.0886 174.4326 152 T 4.0621 8.9532 114.2760 60.4023 70.5587 176.7522 153 F 4.0827 8.5308 120.5315 60.4661 38.7658 177.7429 154 K 3.9073 8.1424 118.7247 59.6693 31.9751 178.0579 155 D 4.3239 7.9903 118.9975 57.6900 40.7024 179.1681 156 L 3.8188 7.9771 119.1574 57.7098 41.4468 179.5180 157 E 3.5301 8.2574 118.3709 59.1651 29.2946 179.2431 158 A 4.0258 7.9968 120.8706 55.0426 18.3523 179.4834 159 L 3.9504 8.1749 119.3877 58.1696 42.0938 179.1416 160 S 4.3822 8.5896 114.6441 61.8962 62.6888 176.9082 161 R 4.0860 8.0079 121.7283 58.9349 29.6466 178.9282 162 I 4.0502 8.0996 121.1805 63.9768 37.1136 178.5165 163 F 4.1313 9.0526 118.9453 60.4814 38.6133 177.9739 164 K 4.1094 8.2390 117.8057 59.5643 31.7030 179.2294 165 E 4.0768 8.7132 119.1638 58.7351 29.4294 178.1855 166 N 4.8630 7.8748 114.1663 51.5065 39.3771 174.2585 167 D 4.6287 7.7093 118.6560 55.8279 40.2433 173.4839 168 T 4.8280 7.7650 113.5288 60.6665 71.0315 175.6212 169 K 4.3237 8.9327 128.6673 55.6429 33.4354 174.2690 170 P 4.9897 0.0000 0.0000 62.5327 32.4026 175.2862 171 E 4.5836 9.2051 125.6713 54.6474 31.4630 174.9229 172 L 4.8448 8.9420 129.5170 53.7625 42.7193 175.9156 173 E 4.7159 9.2094 125.5751 55.6728 30.4347 176.0958 174 C 5.1520 9.2942 123.0867 58.2739 31.2251 174.0815 175 Y 4.8561 9.2581 120.1731 56.7674 39.1044 174.6579 176 D 4.6744 7.5999 117.5783 52.3416 44.3790 176.4898 177 I 3.8756 8.3511 123.4812 64.3955 37.0305 178.5990 178 G 3.9620 8.3662 106.1231 48.4623 0.0000 175.4611 179 Q 4.2137 7.9858 120.0718 58.4568 28.6102 178.8262 180 I 3.7108 7.8006 120.7503 64.4967 37.1883 177.6270 181 Y 3.9696 8.1863 117.5645 61.3149 37.4976 178.6444 182 N 4.7420 8.6246 116.4924 56.7195 38.7252 177.3216 183 T 4.0939 8.0923 116.0322 66.6242 68.8778 176.1140 184 A 4.2444 8.3854 123.0577 55.1252 18.2727 179.6865 185 F 4.2006 8.3574 114.8778 59.5290 39.2369 176.3344 *187 F 4.8944 7.9232 120.3906 58.3907 40.7515 176.8732 188 H 3.9053 8.2022 116.3678 58.5438 28.4946 176.6214 189 E 3.7401 8.0301 117.8433 57.4162 29.2997 177.7358 190 G 3.8277 7.5987 106.6539 45.2270 0.0000 174.1093 191 Y 4.3579 7.5539 116.7777 59.2119 38.4433 175.4554 192 L 4.6284 7.9109 119.3827 52.5757 43.6793 175.2547 193 E 4.3644 8.6789 125.2476 54.5750 30.4513 174.2106 194 P 4.5857 0.0000 0.0000 61.1416 32.7101 173.7242 195 P 4.5765 0.0000 0.0000 62.6726 32.1096 176.1921 196 L 4.1641 8.9509 123.2755 54.6353 43.3876 175.8036 197 R 4.9741 8.4640 122.0711 54.8255 32.2649 174.5281 198 L 5.2101 8.7769 126.2738 53.0078 45.3668 175.3312 199 Q 4.7965 8.8005 122.1331 54.4304 32.4940 173.7898 200 F 5.4132 8.8682 125.6021 56.5681 40.4076 174.7621 201 I 4.7776 8.7019 125.7240 60.0164 39.2759 174.2668 202 H 4.8735 9.0580 125.4099 54.8460 30.7559 175.8173 203 G 4.0418 9.0236 111.0996 45.3012 0.0000 173.4922 204 I 3.8523 7.6094 121.4593 59.8072 38.1423 174.8205 205 L 4.2438 8.1959 127.0813 58.2509 41.5901 176.6534 206 G 4.2441 8.1485 113.8627 45.7035 0.0000 172.0760 207 G 4.2946 7.8162 106.7812 43.8610 0.0000 172.9053 208 I 3.9343 8.9105 120.0251 61.1818 39.0845 176.6133 209 G 4.1060 8.2745 115.1664 45.5385 0.0000 174.5545 210 T 4.4821 8.0123 115.7574 61.0216 69.4914 174.0334 211 A 4.1027 7.8891 125.1041 52.2376 19.2046 179.4633 212 V 3.6138 8.5873 120.4384 66.3022 31.4410 178.2233 213 E 3.9625 8.2980 117.6198 59.8204 29.0685 179.1140 214 D 4.3878 7.6019 116.7247 57.3422 40.9828 178.7578 215 V 3.5954 7.5605 116.9608 65.9032 31.8625 177.3587 216 L 4.0834 8.0735 120.2074 57.7848 41.8479 179.1936 217 F 4.3581 8.1555 119.9070 58.2160 39.3265 176.7547 *219 K 3.7530 8.0766 119.5952 55.8362 33.9642 177.5912 220 Q 3.8555 8.0081 117.9947 59.0140 28.4385 178.7299 221 T 3.4395 7.4994 116.7416 66.5229 68.3894 176.3763 222 A 3.6338 7.5018 121.8841 55.0822 18.1819 179.1059 223 D 4.4738 8.1390 117.4296 57.7440 40.7120 179.1711 224 R 3.9038 7.7995 117.8616 59.0379 30.1493 177.9349 225 L 4.2040 7.7914 117.7786 56.4580 41.9891 177.6756 226 I 4.2459 7.7788 118.2035 61.6924 38.6957 177.1152 227 G 4.0999 8.0641 108.3761 45.6017 0.0000 174.5462 228 R 3.9564 8.9335 125.5102 60.1042 30.2069 178.5407 229 E 4.1676 8.2211 111.5021 57.7114 30.1649 179.1208 230 N 5.1684 8.2583 113.9659 53.8017 39.9741 173.6537 231 Y 5.3645 7.5689 115.6673 56.3653 40.9553 173.3652 232 T 4.7497 8.9340 110.3433 59.8485 72.9720 172.3854 233 W 5.7520 7.9911 117.1120 55.3164 31.8995 173.2662 234 S 5.1742 8.9066 114.9326 55.4266 66.4227 172.0401 235 L 5.4156 8.2555 122.3524 53.3977 45.9836 174.6342 236 V 4.7237 9.2052 124.8575 61.0858 34.4774 174.1420 237 G 4.5609 8.7732 114.7568 44.4268 0.0000 172.5420 238 A 4.4092 9.0018 127.6348 51.7182 19.9830 178.1816 239 G 3.8337 9.3298 109.6536 46.8431 0.0000 176.7489 240 R 4.0370 8.6226 120.1466 57.4612 29.6397 177.1980 241 F 4.3901 8.1034 117.6398 58.0882 39.5003 176.8978 242 Q 4.5040 8.0623 122.1188 56.9929 29.4464 176.2755 *244 P 4.4071 0.0000 0.0000 63.3802 33.4735 178.7557 245 L 4.2082 8.2466 118.1916 57.6039 41.4745 179.6644 246 G 3.7288 8.2609 105.8559 48.2021 0.0000 175.8994 247 T 3.9166 7.8967 117.5849 66.1066 68.3141 176.1971 248 L 3.9712 7.9962 121.2465 58.2807 42.3411 178.5206 249 A 4.4820 8.4827 120.9245 55.3306 18.0883 179.7145 250 V 3.7035 7.3897 116.6633 65.4822 31.6840 179.6749 251 I 3.9337 7.6985 117.7710 61.3627 37.2634 176.8801 *253 G 3.7553 7.9593 106.2249 45.0620 0.0000 173.5287 254 G 2.3190 8.0308 108.7597 44.1613 0.0000 173.1617 255 D 4.9293 7.7413 120.1780 52.9117 43.2780 176.2692 256 V 4.6929 8.2942 118.2154 60.0447 35.1079 174.4960 257 R 5.0632 8.5531 121.5232 54.9817 32.9756 174.6954 258 V 4.6054 9.4232 118.7992 59.2023 36.2157 173.7236 259 G 4.4936 8.4684 105.6508 43.5917 0.0000 175.2911 260 L 4.9694 8.7755 120.7836 56.4588 41.8808 178.5560 261 E 4.3477 8.1145 118.9811 58.0080 29.7996 177.1606 262 D 4.8874 8.3483 117.4991 55.0989 42.7761 176.3971 263 S 4.9801 7.7300 112.3899 56.9730 65.4807 174.0936 264 L 4.2656 8.7586 125.9371 55.7035 42.0720 175.8941 265 Y 5.0689 7.6698 115.9894 56.3230 40.0356 175.2074 266 I 4.2518 8.5902 122.3889 61.9678 39.5088 175.0857 267 E 4.5963 7.9534 118.5575 54.9462 32.2563 174.5157 268 R 3.8412 8.4456 117.3160 58.2970 29.1351 176.1222 269 G 3.9673 8.8155 111.4465 44.1511 0.0000 172.4543 270 K 4.5757 8.6736 121.5106 53.8978 34.1318 175.4075 271 L 4.0478 8.6732 126.4968 54.6276 42.1453 176.9594 272 A 4.2276 8.4174 127.1149 52.0544 18.7765 178.0743 273 K 2.8428 8.8561 122.9657 57.8636 32.2866 177.0949 274 S 4.7031 7.3142 111.4622 55.9378 65.6095 175.2274 275 N 4.1928 9.5085 119.5096 56.6268 38.1528 177.5276 276 A 4.0036 8.0388 121.5232 55.1762 18.2887 178.9678 277 E 3.8911 8.2546 117.7366 59.6982 29.4169 179.2314 278 Q 4.0251 7.4361 116.8187 58.7858 28.8594 178.4297 279 V 3.7454 7.5996 118.5405 65.8942 31.8398 177.4900 280 E 4.1663 8.5787 118.8477 59.2953 29.2784 179.9136 281 K 4.2112 7.6029 115.8581 57.2754 31.9585 178.3480 *283 V 4.0062 7.7297 119.2659 62.5190 33.4592 177.5688 284 R 3.9551 8.1855 118.7476 59.3113 29.7951 179.1534 285 I 3.6822 7.7721 119.4356 64.4014 37.1666 178.3399 286 V 3.5654 7.8830 118.5740 66.3561 31.1893 178.0972 287 K 4.5635 8.0939 119.1606 59.0037 31.6643 179.2678 288 E 4.0668 8.1490 118.0477 58.9794 29.3412 178.3366 289 L 4.4892 7.6652 117.0778 54.2414 41.6718 177.0455 290 G 3.8376 8.0031 106.4045 46.3725 0.0000 173.4298 291 K 5.0176 7.8480 119.3453 54.2779 36.3881 174.9669 292 R 4.9891 8.5771 115.7080 54.1487 32.9685 172.9941 293 P 4.9214 0.0000 0.0000 62.6679 32.1571 175.8687 294 A 4.4361 8.7306 125.8209 52.0719 19.0175 177.8149 295 T 4.1648 9.2391 112.5729 60.4115 70.1639 173.8974 296 P 4.3554 0.0000 0.0000 66.2376 31.2382 178.7330 297 D 4.4304 8.0504 116.8651 57.1297 40.8022 178.4969 298 E 3.9921 8.1010 119.5071 59.1957 29.4343 179.3286 299 V 3.6274 8.0382 118.5767 66.0932 31.5182 178.3861 300 R 3.9402 7.8967 117.8154 59.0161 29.3700 178.6902 301 E 3.8772 8.2071 119.1112 59.3747 29.5007 178.7489 302 I 3.7159 7.9969 118.7265 64.0345 37.3227 177.5408 303 L 4.5006 7.8436 115.9910 53.2438 42.4482 176.3948 304 G 3.8649 7.5900 105.7915 46.5198 0.0000 174.1872 305 L 4.4902 8.0862 118.3998 53.1256 43.0364 178.1575 306 K 4.0108 8.4128 119.9712 58.1511 33.2939 178.1018 307 G 4.1305 8.7888 107.3973 45.5922 0.0000 174.8535 308 K 3.9518 8.6371 120.3813 59.3364 33.0862 178.8712 309 E 3.9499 8.0892 116.7945 58.1172 29.8927 177.8723 310 R 4.4064 7.6708 117.1120 56.0435 30.5458 176.8477 311 V 4.0837 6.6917 110.8314 60.3591 32.5945 175.6769 312 N 4.7706 8.2927 120.5287 51.9141 38.2445 174.9831 313 F 4.4829 7.0122 117.6061 57.5759 37.3861 174.0981 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 4 D 8.36 4.58 0.00 2.71 2.62 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 0.00 0.00 0.00 0.00 5 D 7.96 4.66 0.00 2.68 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 6 V 7.80 4.77 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 0.73 0.00 0.00 0.91 0.00 0.00 7 V 8.71 4.46 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 0.82 0.00 0.00 0.87 0.00 0.00 8 I 8.72 4.27 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.44 0.88 0.00 0.00 9 V 8.40 4.47 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 1.00 0.00 0.00 0.91 0.00 0.00 10 T 8.81 4.82 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 1.26 0.00 0.00 11 C 8.62 5.23 0.00 2.99 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 12 A 9.24 5.04 1.41 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 0.00 0.00 13 I 8.55 3.92 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 1.28 0.87 0.93 0.00 0.00 14 T 7.96 4.56 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 1.18 0.00 0.00 15 G 8.07 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 A 8.27 4.58 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 17 I 7.86 4.28 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.75 1.02 0.00 0.00 18 H 7.98 4.59 0.00 3.21 3.25 0.00 5.67 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 19 T 8.04 4.92 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 1.44 0.00 0.00 20 P 0.00 4.39 0.00 2.26 2.30 0.00 3.89 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 2.52 2.34 0.00 21 S 8.44 4.26 0.00 3.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 S 7.75 4.08 0.00 3.79 3.72 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 0.00 0.00 0.00 24 P 0.00 4.30 0.00 1.75 1.88 0.00 3.39 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.51 0.00 25 Y 7.17 4.49 0.00 3.03 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 26 L 7.48 4.10 0.00 1.55 1.61 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.44 0.00 2.09 1.99 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 28 V 8.95 4.15 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 0.80 0.00 0.00 0.98 0.00 0.00 29 T 7.75 4.27 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 1.19 0.00 0.00 30 P 0.00 4.22 0.00 2.05 2.18 0.00 3.49 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 1.90 2.05 0.00 31 D 8.10 4.46 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.09 4.03 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 33 I 7.92 3.68 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.98 0.88 0.00 0.00 34 V 7.92 3.57 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 0.99 0.00 0.00 1.04 0.00 0.00 35 E 8.30 3.98 0.00 2.04 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 2.53 2.51 0.00 36 E 8.52 3.99 0.00 2.20 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 2.42 2.50 0.00 37 A 8.11 3.98 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 38 V 7.94 3.53 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 39 K 8.25 3.97 0.00 1.85 1.85 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.57 7.81 40 A 8.35 3.99 1.41 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 0.00 0.00 41 A 8.05 4.75 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 42 E 8.15 4.01 0.00 2.11 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 2.35 2.48 0.00 43 A 7.75 4.30 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 44 G 7.38 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.73 4.74 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 46 G 8.54 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *48 V 7.73 4.44 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 0.74 0.00 0.00 1.02 0.00 0.00 49 H 9.27 5.48 0.00 3.27 3.23 0.00 5.72 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 50 I 8.73 4.91 1.96 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 1.25 1.12 0.91 0.00 0.00 51 H 8.90 5.34 0.00 2.91 3.11 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.73 4.35 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.91 4.60 0.00 1.67 1.60 0.00 3.29 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 54 D 8.90 4.14 0.00 2.46 2.39 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 55 P 0.00 4.11 0.00 1.97 2.00 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 56 K 8.44 4.18 0.00 1.77 1.72 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.25 7.81 57 D 7.39 4.04 0.00 1.63 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.29 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 59 R 7.15 2.00 0.00 0.67 1.02 0.00 2.42 0.00 0.00 2.71 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 60 P 0.00 4.47 0.00 1.62 1.77 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.79 0.00 61 T 7.96 4.66 4.04 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 1.00 0.00 0.00 62 T 8.59 4.37 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 1.26 0.00 0.00 63 D 7.87 4.32 0.00 2.71 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 64 V 8.52 3.92 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 0.74 0.00 0.00 0.95 0.00 0.00 65 E 8.77 4.05 0.00 2.12 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 0.00 2.34 2.46 0.00 66 V 7.83 3.50 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 0.87 0.00 0.00 0.81 0.00 0.00 67 F 8.02 4.01 0.00 3.30 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 68 R 8.32 3.84 0.00 2.07 2.13 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 69 Y 7.97 3.98 0.00 3.04 3.03 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 0.00 0.00 0.00 70 I 7.99 3.69 1.93 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.78 0.86 0.00 0.00 71 C 8.16 3.86 0.00 1.94 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 72 R 7.93 4.05 0.00 1.95 2.00 0.00 3.09 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 73 E 7.79 3.90 0.00 1.87 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 1.71 1.47 0.00 74 I 7.75 3.82 1.84 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 1.39 0.67 0.93 0.00 0.00 75 K 8.17 4.23 0.00 2.14 2.14 0.00 1.57 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.40 7.81 76 K 7.94 4.02 0.00 1.94 1.86 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.71 7.81 77 Q 8.00 4.45 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 78 S 7.27 4.63 0.00 3.88 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 79 D 8.67 4.83 0.00 2.83 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 80 V 7.55 3.61 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 0.70 0.00 0.00 0.99 0.00 0.00 81 V 8.15 3.74 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 82 I 8.52 4.44 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.89 0.00 0.00 83 N 9.32 5.03 0.00 2.81 2.99 0.00 0.00 6.38 7.54 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 84 V 8.19 4.40 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 0.45 0.00 0.00 0.89 0.00 0.00 85 T 8.48 4.49 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 1.25 0.00 0.00 86 T 8.92 4.46 4.27 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 0.00 0.00 1.33 0.00 0.00 87 G 8.77 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 0.00 0.00 0.00 88 G 7.99 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 0.00 0.00 0.00 89 G 9.10 4.05 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 0.00 0.00 0.00 90 G 8.38 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 91 T 7.58 4.06 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 0.25 0.00 0.00 92 L 8.02 4.55 0.00 1.76 1.72 0.74 0.60 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 93 G 8.17 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 0.00 0.00 0.00 94 I 7.48 4.12 1.90 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 1.46 1.15 0.91 0.00 0.00 95 P 0.00 4.59 0.00 2.23 2.16 0.00 3.71 0.00 0.00 3.83 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 96 V 8.19 3.50 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.82 0.00 0.00 97 E 8.12 3.90 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 98 E 8.01 4.08 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 99 R 7.80 3.96 0.00 1.96 2.12 0.00 3.51 0.00 0.00 3.60 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 100 A 8.46 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 0.00 101 K 7.95 3.96 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.71 7.81 102 V 7.66 3.49 1.53 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 0.48 0.00 0.00 0.21 0.00 0.00 103 V 7.71 3.32 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.48 0.00 0.00 104 P 0.00 4.86 0.00 2.04 2.08 0.00 3.89 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 105 A 7.66 4.13 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 0.00 106 L 8.26 4.57 0.00 1.90 1.94 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.45 3.87 0.00 1.83 1.75 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.34 7.81 108 P 0.00 4.69 0.00 2.43 2.31 0.00 3.59 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 1.96 1.90 0.00 109 E 8.74 4.18 0.00 1.99 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 2.38 2.30 0.00 110 I 7.61 5.08 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.98 0.00 0.00 111 A 8.96 5.24 1.25 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 0.00 0.00 0.00 112 T 8.81 4.81 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 113 F 9.11 4.51 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.39 4.63 0.00 2.86 2.86 0.00 0.00 7.09 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 *116 G 8.19 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 5.10 0.00 3.78 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 *119 N 8.26 4.58 0.00 2.80 2.82 0.00 0.00 6.26 8.13 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 0.00 120 F 8.46 4.65 0.00 2.96 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 0.00 121 A 8.97 4.87 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 I 8.70 4.59 1.93 0.00 0.00 0.80 0.00 0.00 0.00 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2.96 0.00 0.00 0.00 0.00 1.30 1.32 7.81 131 E 7.55 4.65 0.00 1.93 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 2.11 1.86 0.00 132 F 8.50 4.81 0.00 2.89 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 0.00 133 K 9.24 3.79 0.00 1.39 1.27 0.00 1.52 0.00 0.00 1.23 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.02 7.81 134 Y 7.57 4.85 0.00 2.55 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.92 4.43 0.00 2.78 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 0.00 136 W 8.23 4.42 0.00 3.54 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 0.00 137 E 7.09 2.88 0.00 1.31 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 1.47 1.47 0.00 138 P 0.00 3.82 0.00 2.08 1.84 0.00 3.43 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 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0.00 0.00 0.00 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 0.95 0.00 0.00 149 F 8.81 4.71 0.00 3.03 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 0.00 150 R 8.37 4.46 0.00 1.83 1.76 0.00 3.25 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 151 N 8.73 5.03 0.00 2.32 2.39 0.00 0.00 6.34 6.68 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 0.00 152 T 8.95 4.06 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 1.15 0.00 0.00 153 F 8.53 4.08 0.00 3.12 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 0.00 154 K 8.14 3.91 0.00 1.85 1.81 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.55 7.81 155 D 7.99 4.32 0.00 2.88 2.57 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 0.00 156 L 7.98 3.82 0.00 1.85 1.85 0.81 0.74 0.00 0.00 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3.24 3.08 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 0.00 182 N 8.62 4.74 0.00 2.96 3.08 0.00 0.00 7.11 7.09 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 0.00 183 T 8.09 4.09 4.42 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 1.15 0.00 0.00 184 A 8.39 4.24 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 0.00 185 F 8.36 4.20 0.00 3.30 3.43 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 *187 F 7.92 4.89 0.00 3.03 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 0.00 188 H 8.20 3.91 0.00 3.00 3.13 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.03 3.74 0.00 1.79 1.71 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 1.61 1.47 0.00 190 G 7.60 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 199 Q 8.80 4.80 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 200 F 8.87 5.41 0.00 3.16 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 0.00 201 I 8.70 4.78 1.17 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.95 0.94 0.00 0.00 202 H 9.06 4.87 0.00 3.27 3.30 0.00 5.58 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 0.00 203 G 9.02 4.04 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 0.00 204 I 7.61 3.85 1.68 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 1.34 0.63 -0.31 0.00 0.00 205 L 8.20 4.24 0.00 1.69 1.73 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 206 G 8.15 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 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.76 0.00 0.00 216 L 8.07 4.08 0.00 1.81 1.68 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 0.00 217 F 8.16 4.36 0.00 3.24 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 *219 K 8.08 3.75 0.00 1.14 1.60 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 0.47 7.81 220 Q 8.01 3.86 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 221 T 7.50 3.44 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 0.88 0.00 0.00 222 A 7.50 3.63 0.73 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 0.00 0.00 223 D 8.14 4.47 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 R 7.80 3.90 0.00 1.81 1.94 0.00 3.25 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 233 W 7.99 5.75 0.00 2.96 3.19 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 0.00 234 S 8.91 5.17 0.00 3.78 3.72 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 0.00 0.00 0.00 235 L 8.26 5.42 0.00 2.19 1.61 1.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 236 V 9.21 4.72 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 1.13 0.00 0.00 0.97 0.00 0.00 237 G 8.77 4.56 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 0.00 238 A 9.00 4.41 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 G 9.33 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 0.00 240 R 8.62 4.04 0.00 1.65 1.84 0.00 2.48 0.00 0.00 2.93 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 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0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 268 R 8.45 3.84 0.00 1.85 1.83 0.00 3.30 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 269 G 8.82 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 0.00 0.00 0.00 270 K 8.67 4.58 0.00 1.76 1.81 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.40 7.81 271 L 8.67 4.05 0.00 1.77 1.68 0.98 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 272 A 8.42 4.23 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 0.00 273 K 8.86 2.84 0.00 1.46 1.50 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.48 0.91 7.81 274 S 7.31 4.70 0.00 3.94 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 0.00 275 N 9.51 4.19 0.00 2.84 2.94 0.00 0.00 7.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 276 A 8.04 4.00 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 0.00 277 E 8.25 3.89 0.00 2.01 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 2.28 2.33 0.00 278 Q 7.44 4.03 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 279 V 7.60 3.75 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.00 0.00 0.00 280 E 8.58 4.17 0.00 2.20 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 2.33 2.41 0.00 281 K 7.60 4.21 0.00 1.77 1.93 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 *283 V 7.73 4.01 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 0.94 0.00 0.00 1.02 0.00 0.00 284 R 8.19 3.96 0.00 2.06 1.97 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 285 I 7.77 3.68 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 1.41 0.73 0.92 0.00 0.00 286 V 7.88 3.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.91 0.00 0.00 287 K 8.09 4.56 0.00 2.05 1.83 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.39 7.81 288 E 8.15 4.07 0.00 2.11 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 2.53 2.50 0.00 289 L 7.67 4.49 0.00 1.78 1.68 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 290 G 8.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 291 K 7.85 5.02 0.00 1.85 1.69 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 1.32 7.81 292 R 8.58 4.99 0.00 1.83 1.95 0.00 2.76 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 293 P 0.00 4.92 0.00 2.19 2.08 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 294 A 8.73 4.44 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 0.00 295 T 9.24 4.16 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 1.25 0.00 0.00 296 P 0.00 4.36 0.00 2.18 2.26 0.00 3.59 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 2.30 2.20 0.00 297 D 8.05 4.43 0.00 2.68 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 0.00 298 E 8.10 3.99 0.00 2.26 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 2.31 2.30 0.00 299 V 8.04 3.63 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 1.03 0.00 0.00 0.99 0.00 0.00 300 R 7.90 3.94 0.00 2.06 1.96 0.00 3.36 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 301 E 8.21 3.88 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 2.30 2.22 0.00 302 I 8.00 3.72 1.84 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 1.48 0.67 0.86 0.00 0.00 303 L 7.84 4.50 0.00 1.69 1.69 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 304 G 7.59 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 0.00 305 L 8.09 4.49 0.00 1.61 1.61 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 306 K 8.41 4.01 0.00 1.84 2.03 0.00 1.50 0.00 0.00 1.97 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.40 7.81 307 G 8.79 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 0.00 0.00 0.00 308 K 8.64 3.95 0.00 1.92 2.07 0.00 1.50 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.39 7.81 309 E 8.09 3.95 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 310 R 7.67 4.41 0.00 1.88 1.94 0.00 3.28 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.86 0.00 311 V 6.69 4.08 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 0.76 0.00 0.00 -0.19 0.00 0.00 312 N 8.29 4.77 0.00 2.59 2.90 0.00 0.00 6.98 6.67 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 0.00 313 F 7.01 4.48 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.