NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 T 4.2771 8.1744 110.9381 61.4198 70.0751 172.9435 35 V 3.8309 8.1884 125.7902 61.9940 32.6337 174.3947 36 T 4.0333 9.4228 125.2910 66.0517 69.5861 174.4693 37 E 4.6009 7.8926 121.2293 53.4780 32.0620 174.0329 38 P 4.4801 0.0000 0.0000 61.9103 32.1803 175.9401 39 V 3.0182 7.9929 119.1884 64.3975 31.6408 176.2470 40 G 4.0886 9.1306 115.4646 45.6046 0.0000 174.0360 41 S 4.8337 7.9698 115.2340 57.7989 64.6727 175.7683 42 Y 4.5418 8.5900 121.1978 61.3935 37.5399 178.0143 43 A 4.1523 8.4434 121.0173 55.0118 18.1606 179.5294 44 R 3.9197 7.9060 115.5672 58.8170 30.1328 178.3610 45 A 4.2210 8.0608 119.5172 53.1523 18.8458 177.6637 46 E 4.2402 7.3798 116.7468 56.1609 30.3875 176.8817 47 R 4.4895 8.5942 120.7335 54.2532 30.5891 175.5450 48 P 4.4428 0.0000 0.0000 65.6066 31.5005 178.8228 49 Q 4.1988 8.1385 114.5596 58.5098 28.4725 176.5438 50 D 4.5059 7.9722 117.2570 54.5364 41.1410 176.1746 51 F 4.9965 8.1713 119.0301 57.0525 40.5149 174.7497 52 E 4.2483 8.6017 117.4115 56.0449 30.1422 177.6626 53 G 3.1699 8.6633 110.1026 46.6052 0.0000 173.5030 54 F 4.9411 7.3685 114.2046 56.1738 40.8769 174.5139 55 V 4.1549 5.4500 117.6807 60.3647 34.7099 173.1000 56 W 5.0945 8.4596 123.4431 56.4132 29.5360 175.2862 57 R 4.4426 9.3898 127.1219 55.5821 31.0380 175.2437 58 L 4.4546 8.3478 129.0505 54.9819 41.6271 176.3521 59 D 4.6892 8.9244 127.8926 56.8230 41.5850 176.9391 60 N 4.5995 7.6427 114.2528 52.5464 41.6602 173.8533 61 D 4.3835 8.9274 125.1188 54.0700 39.8724 177.0809 62 G 3.9762 9.1289 108.1155 46.2107 0.0000 174.9684 63 K 4.0992 9.2925 121.5845 58.8119 32.2012 177.7455 64 E 4.4279 7.8388 116.0917 55.0255 30.3905 176.3564 65 A 4.1117 8.4593 123.4774 54.1667 18.8213 177.5658 66 L 4.6477 7.4258 113.6653 51.8099 45.1450 174.1803 67 P 4.6610 0.0000 0.0000 62.2416 32.3659 176.2793 68 R 4.2331 8.6778 117.8905 56.7810 30.4638 176.3140 69 N 4.4715 8.8621 113.8337 54.1587 36.3498 174.4508 70 F 4.9489 8.4393 119.6409 58.5918 40.1706 174.2343 71 R 4.7065 7.9686 120.7791 55.4702 33.0889 173.7096 72 T 5.3588 8.8637 110.1839 59.8164 72.5923 174.7773 73 S 4.2929 9.1109 115.9698 59.7639 63.0013 174.6970 74 A 4.5290 7.9918 123.4082 52.6031 19.4017 177.4199 75 D 4.5703 7.7738 115.6600 53.6428 41.5290 176.2449 76 A 4.2939 8.1990 124.0898 51.8106 19.2808 177.3196 77 L 4.5467 8.3434 120.9519 54.5974 42.4025 176.8995 78 R 4.7057 8.7073 120.3158 53.7692 32.2626 175.6145 79 A 4.2961 8.4610 121.2189 51.3634 18.9162 175.9588 80 P 4.3837 0.0000 0.0000 62.0749 32.5452 176.2886 81 E 4.0540 8.9106 120.3017 56.3439 30.1005 178.4250 82 K 3.8681 8.6840 123.2069 59.0993 32.3277 179.1682 83 K 3.8212 7.5786 116.6651 58.9800 32.4436 177.4878 84 F 4.0660 7.3729 116.7057 57.2184 39.6305 174.9905 85 H 3.8150 7.4927 117.7386 56.6875 26.3906 173.3065 86 L 4.3429 7.0989 117.7097 52.8697 44.2356 176.7060 87 D 4.5655 9.1127 119.7845 53.3950 40.0880 176.7286 88 A 4.1314 8.6170 130.3280 54.3590 18.6000 177.7926 89 A 4.3599 8.3597 117.5793 52.9286 19.4824 177.0425 90 Y 3.9801 7.8466 118.1267 57.0836 39.2015 175.0916 91 V 3.9833 7.1083 127.0063 60.0347 32.1667 173.2314 92 P 4.4049 0.0000 0.0000 61.8988 32.1299 176.4355 93 S 4.1570 8.5814 115.2891 59.0058 62.7167 174.3035 94 R 4.4233 8.3021 123.5032 55.4456 30.4745 175.8622 95 E 3.6507 7.9245 119.6693 58.1930 29.8620 176.7587 96 G 4.1818 8.5017 113.7494 47.1299 0.0000 173.2442 *98 D 4.5494 7.6835 117.2230 53.9450 43.2993 177.0494 99 A 4.3806 7.4276 117.9336 51.6149 19.4769 177.4534 100 L 3.8558 7.8486 119.6797 57.9482 42.9883 177.0807 101 H 2.7012 7.8860 113.4274 56.2998 25.7873 173.3068 102 I 4.7709 6.8687 111.9818 59.3103 41.8586 175.6692 103 S 5.2211 9.3098 116.8935 57.5020 67.0584 172.8300 104 G 4.9502 9.0273 107.2680 45.6101 0.0000 171.3882 105 S 5.3959 8.2992 113.8415 57.9340 66.0058 175.5254 106 S 5.1557 9.0448 115.8809 57.2547 64.7801 173.4177 107 A 3.8868 8.3246 122.3279 52.3835 18.7920 176.8983 108 F 5.0881 7.1211 112.5490 54.7980 40.8802 174.8219 109 T 4.6257 9.2319 113.3717 60.5393 71.1925 173.9853 110 P 4.0855 0.0000 0.0000 65.7676 31.3985 178.7733 111 A 3.9377 7.9182 118.8517 55.3315 18.3931 179.5274 112 Q 4.1494 7.9349 117.4419 58.3874 28.6787 178.7855 113 L 3.3899 7.8503 121.3345 57.9292 42.0730 179.1703 114 K 3.8336 7.7842 118.1602 59.5151 31.9286 179.0813 115 N 4.2413 7.8277 116.4790 56.0683 38.3057 177.7057 116 V 3.1504 7.5311 119.4333 65.7966 31.6171 177.9117 117 A 3.8119 8.1060 120.6903 55.0756 17.9149 179.5011 118 A 3.8537 7.6949 118.3740 55.1807 18.2430 179.7574 119 K 4.0052 7.8508 117.0231 59.5612 32.1392 179.6948 120 L 3.5053 8.0580 119.6104 57.3029 41.5649 179.4197 121 R 3.8308 7.9556 118.5957 58.9672 29.7355 178.0462 122 E 4.1030 7.5801 116.0082 57.9998 29.5692 178.0284 123 K 4.4097 7.4972 116.8647 56.1720 33.1543 175.7741 124 T 4.5438 6.7760 110.6492 61.1219 70.4294 172.7825 125 A 4.5550 8.5824 126.1764 51.7870 19.7195 176.6007 126 G 4.7006 8.1847 104.8290 43.3415 0.0000 172.2164 127 P 4.5037 0.0000 0.0000 62.9789 32.5268 175.4259 128 I 4.9753 8.2498 123.3058 60.1992 38.7252 174.4237 129 Y 4.7477 9.4522 126.0530 56.7527 40.4048 174.8936 130 D 5.1099 9.4669 124.5715 53.1976 42.0278 175.1075 131 V 3.9226 8.7807 127.1853 61.6207 32.2546 174.3428 132 D 4.4271 8.6560 129.6905 53.4955 41.8691 175.7367 133 L 5.2029 8.3020 125.8004 53.9547 43.0869 176.0950 134 R 4.4790 7.9139 119.5851 55.4136 30.0994 176.5200 135 Q 4.2434 8.5858 126.4462 58.5747 29.8155 176.5408 136 E 4.2036 8.1774 116.4089 56.3092 30.4011 177.4247 137 S 4.7201 8.8063 119.1808 59.3365 64.0840 172.8542 138 H 5.3094 8.7726 119.0081 54.8475 31.8478 173.5772 139 G 3.9149 7.6560 104.4957 46.3571 0.0000 171.3466 140 Y 4.9090 8.3077 118.3811 56.1546 41.3048 174.2067 141 L 4.7492 8.5877 125.2217 53.7575 43.0218 176.3156 142 D 4.4311 10.0350 125.4558 55.3552 38.8493 176.0265 143 G 4.0486 8.5080 106.0052 45.4478 0.0000 174.0693 144 I 4.3378 7.7067 122.4448 59.6216 38.8168 173.3541 145 P 4.2903 0.0000 0.0000 62.6492 32.4517 175.7117 146 V 5.2544 8.3801 117.4074 59.5497 36.6104 174.6443 147 S 5.3738 9.0837 115.3169 56.7261 66.7290 173.4922 148 W 4.5968 9.2013 133.4018 57.5181 30.4739 174.2958 149 Y 4.2708 8.3710 130.0643 56.1118 39.9935 174.5479 150 G 4.2092 7.2911 111.7943 43.4745 0.0000 171.6340 151 E 4.1312 8.8380 118.6308 58.0796 29.8265 178.2581 152 R 3.3680 9.0658 118.7239 56.0491 27.7872 175.5101 153 D 4.0175 7.3941 115.4613 55.5508 40.2442 173.6463 154 W 4.9014 7.5503 113.6150 55.9509 29.8772 178.5300 155 A 4.4306 8.0945 122.3728 54.0912 18.3788 178.9504 156 N 4.9437 7.9832 111.8000 52.6927 39.3302 173.8691 157 L 3.9705 7.3453 120.4591 56.7957 42.2408 177.9201 158 G 3.9475 8.6440 112.9960 45.5117 0.0000 173.7603 159 K 4.3777 7.6267 119.3739 55.6039 33.0222 177.6805 160 S 4.3934 9.0869 118.2761 57.9267 65.0429 175.2779 161 Q 3.9259 8.5633 122.8037 59.5744 28.5935 177.8378 162 H 4.0374 8.2180 118.5911 59.4817 29.8434 176.8105 163 E 3.8778 8.1967 119.8989 59.3031 29.3012 179.1544 164 A 3.9672 8.3510 121.1231 55.4125 18.4424 179.7983 165 L 3.9787 8.3445 117.4369 57.4376 41.5785 179.6733 166 A 3.7598 8.0015 121.3290 55.0355 18.2739 179.0071 167 D 4.1866 8.2073 116.8863 57.3946 41.2081 178.1031 168 E 3.9248 8.0654 119.6163 59.4089 29.7142 178.9192 169 R 3.9163 8.0117 118.0030 59.5990 30.0717 178.7515 170 H 4.2552 8.2206 115.7824 59.0808 28.5429 178.0879 171 R 3.8654 8.0952 118.6405 59.2127 30.0407 178.8304 172 L 4.1551 8.1947 118.7908 58.0863 41.6781 179.0708 173 H 4.0930 8.3819 117.8411 59.3110 29.6336 177.1793 174 A 3.9952 8.1345 121.0754 54.8930 18.4288 179.0948 175 A 4.1787 7.7800 119.2534 53.3659 18.2989 177.4031 176 L 3.9405 7.0776 119.9097 56.8885 42.2728 176.4413 177 H 4.3410 8.9239 121.9231 56.3048 27.0759 174.4355 178 K 4.7944 7.8213 118.5712 54.6421 35.6395 175.4796 179 T 4.7520 8.4617 119.3217 63.6807 69.1919 174.5917 180 V 4.7881 9.2325 119.2435 59.7153 34.9423 173.7539 181 Y 5.3359 8.8912 123.5300 56.2053 41.0558 174.1535 182 I 4.9089 8.7931 127.7023 59.4803 40.0439 174.6045 183 A 4.9022 8.2989 127.7937 49.6104 23.2382 173.3519 184 P 4.8065 0.0000 0.0000 61.7852 33.8371 174.8952 185 L 4.8426 8.2434 120.6383 53.8915 43.9735 175.3786 186 G 4.3177 8.2738 108.9783 44.3836 0.0000 177.1714 187 K 3.9719 9.1155 125.4726 57.7644 32.3475 176.2785 188 H 4.1998 9.3056 120.0128 57.5344 26.3263 174.3952 189 K 3.9028 8.1490 111.2764 57.6070 30.1433 175.3482 190 L 4.9843 7.5542 116.1916 51.8849 44.3873 174.6888 191 P 4.6137 0.0000 0.0000 63.4563 31.9335 175.9802 192 E 4.4934 8.7926 121.9026 55.7564 32.6520 174.6817 193 G 3.8891 9.1876 117.4611 47.8402 0.0000 172.9564 194 G 3.9439 10.4066 110.1980 44.0079 0.0000 171.1350 195 E 4.8829 8.8458 117.4185 55.5296 33.5211 174.6318 196 V 5.1884 8.3316 120.1890 61.2945 34.1958 174.6341 197 R 4.6579 8.8308 122.4575 55.1926 33.3385 174.1616 198 R 4.8841 8.4324 121.4713 54.6835 30.6017 175.8820 199 V 4.1805 8.1409 127.0050 63.0323 32.2120 176.3909 200 Q 4.6363 9.3718 124.7546 55.4667 30.5690 175.4019 201 K 4.5327 7.5086 118.4751 55.2074 35.7019 174.1901 202 V 4.9524 8.3227 126.0673 61.3472 34.5203 174.4336 203 Q 4.9095 9.1261 125.2104 54.5657 33.6614 174.3504 204 T 4.6398 8.5969 112.1956 60.6102 70.7837 175.4781 205 E 4.2975 8.9374 123.0138 59.5547 29.5100 178.8793 206 Q 2.9140 7.4492 119.1270 58.7995 29.0225 178.0242 207 E 3.8467 7.7393 118.9773 59.4964 29.3026 179.5754 208 V 3.3980 7.3436 116.4648 65.6654 31.7770 177.6633 209 A 4.1278 8.4567 120.7698 55.4328 18.3574 179.5872 210 E 3.9141 8.4856 117.0792 59.3303 29.2498 179.3439 211 A 4.0735 7.9888 119.5307 53.8935 18.5124 178.3474 212 A 4.3707 7.7156 117.5495 51.0091 20.6702 176.2317 213 G 3.3015 7.4612 105.5479 45.6807 0.0000 172.9428 *215 R 4.1511 7.2566 119.2972 56.4329 32.6326 174.8485 216 Y 5.3661 8.5354 120.4322 56.0547 41.9696 174.4560 217 F 4.4858 8.3180 127.4809 56.5666 42.9492 172.6979 218 R 4.4567 7.3802 126.3241 54.5227 31.9475 175.3155 219 I 4.2704 8.6957 126.3148 59.2698 40.2297 174.6416 220 A 4.9861 8.9981 130.5698 51.4765 16.3860 174.8235 221 A 4.9110 8.2701 121.9823 49.4816 21.7672 176.8936 222 T 4.1268 8.2767 119.1986 63.1412 69.7756 173.8055 223 D 4.3574 8.6391 125.4854 55.9059 41.8149 176.2529 224 H 4.3327 8.9529 121.3041 55.9723 26.9013 174.6163 225 V 4.6555 6.9678 110.0920 58.3976 35.0826 175.0331 226 W 4.1793 8.7330 131.0892 56.5397 31.0391 174.0241 227 P 3.9946 0.0000 0.0000 62.5461 31.3673 176.9877 228 T 4.1887 8.3633 112.9557 61.1455 70.6930 173.6597 229 P 4.7918 0.0000 0.0000 65.7285 31.2795 178.9398 230 E 4.0399 8.2233 117.1522 59.4656 29.3729 178.7339 231 N 4.3334 8.1626 116.3961 56.6459 38.5828 177.6176 232 I 3.8535 7.8937 121.0021 64.3490 37.1023 178.1733 233 D 4.5208 8.7045 120.2400 57.5360 40.6959 178.8820 234 R 4.0389 8.1918 119.1597 59.4079 30.1097 178.3707 235 F 4.3814 8.4182 120.5260 61.4099 39.4713 177.1739 236 L 3.8578 8.4604 118.7430 57.5799 41.1653 179.3438 237 A 4.0016 8.0356 119.9641 55.0650 18.6588 179.1422 238 F 3.9741 8.1252 119.1779 61.4281 39.4810 176.5181 239 Y 3.3668 7.9980 119.4323 60.7060 38.2639 178.4989 240 R 3.8159 7.6869 117.3359 58.4919 30.1812 177.7027 241 T 4.0535 7.0906 107.5097 62.3240 69.5645 175.4105 242 L 3.7123 6.6647 122.9777 53.7197 42.2880 175.2705 243 P 4.4408 0.0000 0.0000 61.9613 32.3585 176.9069 244 Q 3.8967 8.6583 120.3431 59.0414 29.1083 176.7978 245 D 4.8821 7.9490 115.5007 53.1607 39.9596 175.3679 246 A 4.7436 7.7024 121.3596 52.3874 19.3607 177.5523 247 W 4.8088 9.3506 131.5114 55.5497 33.5866 174.3508 248 L 4.8974 8.2750 127.2033 53.4700 43.4164 175.1338 249 H 5.3920 9.1922 125.9062 53.9805 30.9078 173.8236 250 F 5.1925 9.3122 125.9775 57.5670 40.7071 174.7069 251 H 5.6879 8.8960 114.6293 55.3678 31.6772 172.2732 252 S 4.3847 8.6236 117.0957 58.5250 65.4889 174.2733 253 E 4.1819 9.1808 115.6880 58.5625 29.3782 178.5126 254 A 4.0563 8.1203 121.6062 52.8787 19.2085 178.2037 255 G 4.0261 7.8769 102.8671 45.1622 0.0000 173.8453 256 V 4.1407 7.0941 116.8225 63.3146 34.1034 177.6558 257 G 3.6143 7.8195 105.2407 48.5484 0.0000 175.1731 258 R 3.9133 7.7718 119.6072 58.6151 30.2785 179.1730 259 T 3.8921 7.9448 115.0299 67.2150 68.3197 176.6231 260 T 3.9156 7.8405 115.8216 66.3610 68.5124 176.2520 261 A 3.8211 7.7804 121.6998 54.9154 18.5080 180.1311 262 F 3.4096 7.1453 114.6044 57.3249 39.7728 176.4754 *264 V 3.8574 7.6310 115.2497 63.1916 33.0099 176.7036 *266 T 4.2738 7.8683 116.3228 63.3443 70.1592 176.4590 267 D 4.6143 7.4990 116.2014 55.1008 40.7733 177.6980 *269 L 4.2270 7.9987 118.3396 54.2256 43.3501 178.3055 270 K 4.2243 8.2601 118.1980 58.4394 33.0708 176.6757 271 N 5.1310 8.3384 115.7722 50.8854 38.4437 173.4230 272 P 4.3790 0.0000 0.0000 65.0038 32.0467 178.4121 273 S 4.3716 7.9089 112.1230 59.2604 63.7078 174.4587 274 V 3.8757 7.5191 122.3071 62.1561 32.1001 176.4387 275 S 4.3762 8.5199 121.8038 58.0725 64.9799 175.0102 276 L 3.6126 8.0966 124.8510 58.1988 41.6520 179.2097 277 K 3.9945 7.9271 118.8926 59.7423 32.0359 178.2980 278 D 4.5215 8.0399 118.5101 57.4183 40.7815 178.6718 279 I 3.7638 7.8810 120.2466 64.5238 37.1796 178.4998 280 L 4.0043 8.0521 119.5360 58.0607 41.3827 179.2597 281 Y 4.0557 8.5984 117.1328 61.0953 37.4225 178.8676 282 R 4.0406 8.6387 117.5118 59.4347 29.7337 178.9121 283 Q 4.0589 8.3891 118.7374 58.6249 28.6425 178.2014 284 H 4.6080 8.0180 120.4633 58.6686 30.0757 176.7697 285 E 4.1051 8.5128 119.1883 57.5225 29.0423 177.8476 286 I 4.3385 6.9440 112.1754 60.3622 38.1358 175.7635 287 G 3.9939 7.5997 107.8964 45.7117 0.0000 174.2354 288 G 4.0453 7.9308 109.6465 43.3403 0.0000 173.2403 289 F 4.3332 8.6669 121.7351 57.8954 39.8625 173.9069 290 Y 3.8295 5.3700 125.6235 56.2224 38.9542 174.9675 291 Y 4.7127 7.7279 125.0585 57.9488 38.3366 175.8890 292 G 3.8529 5.3800 109.6774 42.6701 0.0000 173.1955 293 E 4.2892 8.6518 120.0863 56.0807 30.2232 176.1264 294 F 4.8376 8.0013 118.0340 55.2662 40.1414 172.3719 295 P 4.2297 0.0000 0.0000 62.7045 30.0236 176.0987 296 I 3.7438 7.5309 124.3666 60.5748 37.7890 176.1265 297 K 4.5180 8.3584 125.1629 55.0792 35.0391 175.0498 298 T 4.7583 8.1580 114.6423 59.1800 72.2078 173.1675 299 K 4.2190 8.2771 120.9987 56.1010 32.4769 178.0443 300 D 4.0825 8.9541 122.4293 57.5571 40.8814 179.2960 301 K 4.2596 8.0701 116.2141 58.7383 33.2027 177.7268 302 D 4.7558 8.7840 120.5860 54.0133 41.0423 178.0732 303 S 4.3128 8.0288 118.4473 60.2154 62.5664 175.8943 304 W 4.4190 7.9889 118.9064 58.6730 28.4215 177.6729 305 K 3.7432 7.4028 119.8860 58.6327 31.4281 178.8842 306 T 4.0763 7.5115 116.6904 66.8697 68.4340 176.4776 307 K 4.0468 7.9919 119.7496 60.2174 32.6153 178.5618 308 Y 4.2853 7.7809 117.4662 60.9489 37.8626 177.6945 309 Y 4.3945 8.2507 117.9455 61.2802 38.1642 178.5832 310 R 4.0225 8.2932 119.0998 59.1399 29.9098 178.7218 311 E 3.9356 8.3447 118.4218 59.2751 29.7390 178.6925 312 K 4.0313 8.0131 117.3576 59.4178 31.9135 178.9577 313 I 3.9916 7.8957 120.0813 64.3709 37.0248 179.3263 314 V 3.6219 7.3742 115.7609 63.5358 31.1298 177.6092 *316 I 3.8659 7.7090 119.3117 60.8591 39.0848 177.9657 317 E 4.0600 7.7400 118.6583 59.4066 29.1995 179.1710 318 Q 4.2262 8.1977 119.7675 59.2241 29.1488 178.1287 319 F 4.2535 8.3456 121.3740 61.3844 39.5225 176.2401 320 Y 3.9622 8.2244 119.2867 60.6981 38.5722 178.1652 321 R 3.7961 8.3577 119.7806 59.3874 30.2617 177.8457 322 Y 2.4813 7.5820 119.2996 60.0939 38.7140 178.2356 323 V 3.1867 7.1359 118.9897 66.0127 31.3492 178.0541 324 Q 3.6927 7.2267 116.4816 58.5374 28.5628 177.9328 325 E 4.1580 7.6279 117.5308 57.1020 30.1726 176.6953 326 N 4.5843 7.1235 114.5776 52.2678 40.4976 176.5492 327 R 2.6641 7.3568 116.0551 58.5199 29.8763 178.7721 328 A 3.7745 7.8001 120.7255 54.8674 18.2670 177.6288 329 D 4.5559 7.7846 111.8087 53.0224 39.6052 176.5894 330 G 3.6862 7.6769 106.6841 46.7459 0.0000 173.8336 331 Y 3.5090 7.4170 113.3496 58.8980 35.3891 171.9578 332 Q 4.2505 8.4979 118.8826 58.2332 29.5924 177.7857 333 T 4.7353 7.2072 111.5573 60.7581 70.8491 173.0722 334 P 4.8035 0.0000 0.0000 61.8715 33.7152 177.1289 335 W 3.6161 8.7924 128.1792 60.6301 30.6094 177.8917 336 S 3.8562 8.5489 113.9166 61.5522 62.2377 176.6174 337 V 3.5254 7.7590 121.5368 65.2793 31.4251 177.3476 338 W 4.1876 8.2488 128.0755 60.5107 30.4122 177.5165 339 L 3.5266 8.1914 120.4251 58.1098 41.1982 179.2334 340 K 3.9444 7.4941 116.6295 59.0481 32.0172 178.6423 341 S 4.2111 7.3753 111.1504 59.2604 63.6403 173.5107 342 H 4.5423 7.1745 117.4553 53.3769 29.0144 171.6869 343 P 4.2160 0.0000 0.0000 62.1923 31.9895 176.7121 344 A 4.3455 8.1159 122.7765 51.5380 19.5561 176.8838 345 K 4.5241 8.1597 118.1649 53.9908 34.8067 176.6589 346 A 4.1067 8.5979 126.8787 52.0552 19.0490 176.8822 347 L 4.1496 8.4298 122.1607 55.3634 42.1849 176.6999 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 34 T 8.17 4.28 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 1.20 0.00 0.00 35 V 8.19 3.83 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 0.84 0.00 0.00 0.94 0.00 0.00 36 T 9.42 4.03 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 1.23 0.00 0.00 37 E 7.89 4.60 0.00 2.05 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 2.25 2.28 0.00 38 P 0.00 4.48 0.00 2.17 2.16 0.00 3.74 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 2.06 1.94 0.00 39 V 7.99 3.02 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 0.54 0.00 0.00 1.01 0.00 0.00 40 G 9.13 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 41 S 7.97 4.83 0.00 4.01 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 42 Y 8.59 4.54 0.00 3.33 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 43 A 8.44 4.15 1.07 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 44 R 7.91 3.92 0.00 2.10 2.11 0.00 3.18 0.00 0.00 3.39 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 45 A 8.06 4.22 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 E 7.38 4.24 0.00 1.87 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 2.53 2.42 0.00 47 R 8.59 4.49 0.00 2.10 2.07 0.00 3.17 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 48 P 0.00 4.44 0.00 2.21 2.35 0.00 3.64 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 49 Q 8.14 4.20 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 50 D 7.97 4.51 0.00 2.17 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 0.00 0.00 0.00 51 F 8.17 5.00 0.00 3.22 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.60 4.25 0.00 1.90 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 2.38 2.36 0.00 53 G 8.66 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 7.37 4.94 0.00 2.80 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 55 V 5.45 4.15 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 0.11 0.00 0.00 0.90 0.00 0.00 56 W 8.46 5.09 0.00 3.75 3.13 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 57 R 9.39 4.44 0.00 1.64 1.90 0.00 2.63 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.28 0.00 58 L 8.35 4.45 0.00 1.61 1.52 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.92 4.69 0.00 2.59 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 60 N 7.64 4.60 0.00 2.64 2.68 0.00 0.00 7.01 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.93 4.38 0.00 2.81 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 62 G 9.13 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.29 4.10 0.00 1.74 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.82 1.57 7.81 64 E 7.84 4.43 0.00 2.10 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 2.30 2.27 0.00 65 A 8.46 4.11 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.43 4.65 0.00 1.56 1.40 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.66 0.00 2.54 2.38 0.00 3.59 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 2.19 2.18 0.00 68 R 8.68 4.23 0.00 1.96 1.97 0.00 3.48 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 69 N 8.86 4.47 0.00 2.95 2.97 0.00 0.00 6.89 7.45 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 70 F 8.44 4.95 0.00 3.23 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 71 R 7.97 4.71 0.00 1.93 1.95 0.00 2.92 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.55 0.00 72 T 8.86 5.36 4.75 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 1.15 0.00 0.00 73 S 9.11 4.29 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.99 4.53 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.77 4.57 0.00 2.79 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 76 A 8.20 4.29 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 77 L 8.34 4.55 0.00 1.56 1.64 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.71 4.71 0.00 1.73 1.92 0.00 3.06 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.00 79 A 8.46 4.30 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 80 P 0.00 4.38 0.00 2.12 2.17 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 81 E 8.91 4.05 0.00 2.17 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 2.42 2.46 0.00 82 K 8.68 3.87 0.00 1.69 1.72 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.37 7.81 83 K 7.58 3.82 0.00 1.51 1.64 0.00 1.11 0.00 0.00 1.35 0.00 0.00 2.70 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.53 0.21 7.81 84 F 7.37 4.07 0.00 2.66 2.36 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 85 H 7.49 3.82 0.00 3.24 3.33 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.10 4.34 0.00 1.39 1.33 -0.44 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.11 4.57 0.00 2.72 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 88 A 8.62 4.13 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 89 A 8.36 4.36 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 90 Y 7.85 3.98 0.00 2.94 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 91 V 7.11 3.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.85 0.00 0.00 92 P 0.00 4.40 0.00 2.31 2.23 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 93 S 8.58 4.16 0.00 3.86 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 94 R 8.30 4.42 0.00 1.83 1.94 0.00 3.31 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 95 E 7.92 3.65 0.00 1.92 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 0.00 2.35 2.36 0.00 96 G 8.50 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *98 D 7.68 4.55 0.00 2.73 2.83 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 99 A 7.43 4.38 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.85 3.86 0.00 1.71 1.61 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 101 H 7.89 2.70 0.00 3.17 3.02 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.87 4.77 2.04 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 1.19 0.69 0.96 0.00 0.00 103 S 9.31 5.22 0.00 4.16 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 9.03 4.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.30 5.40 0.00 4.34 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 9.04 5.16 0.00 4.16 4.18 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 0.00 107 A 8.32 3.89 1.10 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 0.00 0.00 0.00 108 F 7.12 5.09 0.00 3.11 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 0.00 109 T 9.23 4.63 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 1.29 0.00 0.00 110 P 0.00 4.09 0.00 2.08 1.94 0.00 3.66 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 1.98 1.55 0.00 111 A 7.92 3.94 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 0.00 112 Q 7.93 4.15 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.64 2.26 0.00 113 L 7.85 3.39 0.00 1.55 1.48 0.77 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.78 3.83 0.00 1.95 1.75 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.53 7.81 115 N 7.83 4.24 0.00 2.82 2.70 0.00 0.00 6.63 7.10 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 0.00 116 V 7.53 3.15 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 0.86 0.00 0.00 0.58 0.00 0.00 117 A 8.11 3.81 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 0.00 118 A 7.69 3.85 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 0.00 119 K 7.85 4.01 0.00 1.93 1.85 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.37 7.81 120 L 8.06 3.51 0.00 1.35 0.91 0.89 0.60 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 0.00 121 R 7.96 3.83 0.00 1.91 1.97 0.00 3.09 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 122 E 7.58 4.10 0.00 2.10 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 0.00 2.29 2.48 0.00 123 K 7.50 4.41 0.00 1.34 1.85 0.00 1.25 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.39 7.81 124 T 6.78 4.54 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 125 A 8.58 4.56 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.18 4.70 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 0.00 0.00 0.00 127 P 0.00 4.50 0.00 1.99 2.17 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.14 0.00 128 I 8.25 4.98 1.85 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 1.35 0.79 0.95 0.00 0.00 129 Y 9.45 4.75 0.00 3.04 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 0.00 130 D 9.47 5.11 0.00 2.93 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.78 3.92 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 0.85 0.00 0.00 0.71 0.00 0.00 132 D 8.66 4.43 0.00 2.89 2.31 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 0.00 133 L 8.30 5.20 0.00 1.62 1.47 1.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.91 4.48 0.00 1.69 1.91 0.00 3.21 0.00 0.00 2.75 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 135 Q 8.59 4.24 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 136 E 8.18 4.20 0.00 2.07 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 2.35 0.00 137 S 8.81 4.72 0.00 3.92 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 0.00 138 H 8.77 5.31 0.00 3.21 3.28 0.00 5.64 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 0.00 139 G 7.66 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 0.00 140 Y 8.31 4.91 0.00 2.90 2.82 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 0.00 141 L 8.59 4.75 0.00 1.42 1.35 -0.12 0.49 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 0.00 142 D 10.04 4.43 0.00 2.76 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 0.00 143 G 8.51 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 0.00 144 I 7.71 4.34 1.93 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 1.28 0.79 0.87 0.00 0.00 145 P 0.00 4.29 0.00 1.96 2.42 0.00 3.67 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 146 V 8.38 5.25 2.23 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 0.77 0.00 0.00 0.37 0.00 0.00 147 S 9.08 5.37 0.00 4.09 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 0.00 148 W 9.20 4.60 0.00 2.79 2.90 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 0.00 149 Y 8.37 4.27 0.00 2.87 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 0.00 150 G 7.29 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.84 4.13 0.00 2.14 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 2.44 2.32 0.00 152 R 9.07 3.37 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.82 0.00 153 D 7.39 4.02 0.00 3.04 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 0.00 154 W 7.55 4.90 0.00 3.20 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 0.00 155 A 8.09 4.43 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 0.00 156 N 7.98 4.94 0.00 2.73 2.77 0.00 0.00 6.78 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.35 3.97 0.00 1.35 1.54 0.05 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.64 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 7.63 4.38 0.00 1.86 1.73 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 160 S 9.09 4.39 0.00 4.03 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 8.56 3.93 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 162 H 8.22 4.04 0.00 3.29 3.30 0.00 5.93 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 0.00 163 E 8.20 3.88 0.00 2.20 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 0.00 2.36 2.38 0.00 164 A 8.35 3.97 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 0.00 165 L 8.34 3.98 0.00 1.60 1.69 0.90 0.55 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 0.00 166 A 8.00 3.76 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.21 4.19 0.00 2.68 2.83 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 0.00 168 E 8.07 3.92 0.00 2.18 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 0.00 2.30 2.45 0.00 169 R 8.01 3.92 0.00 1.96 1.96 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 170 H 8.22 4.26 0.00 3.30 3.30 0.00 5.64 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 0.00 171 R 8.10 3.87 0.00 1.80 1.94 0.00 2.94 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.57 0.00 172 L 8.19 4.16 0.00 1.86 1.71 0.92 0.76 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 0.00 173 H 8.38 4.09 0.00 3.27 3.53 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 A 8.13 4.00 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 0.00 175 A 7.78 4.18 1.32 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 0.00 176 L 7.08 3.94 0.00 1.49 1.55 0.71 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 177 H 8.92 4.34 0.00 3.36 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 K 7.82 4.79 0.00 1.77 1.70 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.86 7.81 179 T 8.46 4.75 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 1.28 0.00 0.00 180 V 9.23 4.79 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 181 Y 8.89 5.34 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.79 4.91 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.85 0.00 0.00 183 A 8.30 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 P 0.00 4.81 0.00 2.09 2.14 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 185 L 8.24 4.84 0.00 1.50 1.52 -0.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 186 G 8.27 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 0.00 187 K 9.12 3.97 0.00 1.92 1.80 0.00 1.94 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.53 7.81 188 H 9.31 4.20 0.00 3.30 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.15 3.90 0.00 2.01 2.06 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.54 7.81 190 L 7.55 4.98 0.00 1.91 1.60 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 191 P 0.00 4.61 0.00 2.29 2.25 0.00 3.86 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 192 E 8.79 4.49 0.00 2.01 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 193 G 9.19 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 G 10.41 3.94 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 2.95 0.00 0.00 0.00 0.00 1.30 1.40 7.81 298 T 8.16 4.76 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 299 K 8.28 4.22 0.00 1.99 1.78 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.46 7.81 300 D 8.95 4.08 0.00 2.73 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 0.00 301 K 8.07 4.26 0.00 1.97 2.02 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.54 7.81 302 D 8.78 4.76 0.00 2.53 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 303 S 8.03 4.31 0.00 4.12 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 304 W 7.99 4.42 0.00 3.72 3.33 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 0.00 305 K 7.40 3.74 0.00 1.56 1.33 0.00 1.37 0.00 0.00 1.24 0.00 0.00 2.36 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.21 7.81 306 T 7.51 4.08 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 307 K 7.99 4.05 0.00 1.86 1.97 0.00 1.11 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.09 0.79 7.81 308 Y 7.78 4.29 0.00 3.29 3.27 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 0.00 309 Y 8.25 4.39 0.00 3.31 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 0.00 310 R 8.29 4.02 0.00 2.08 2.02 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 311 E 8.34 3.94 0.00 2.17 2.31 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 2.24 2.01 0.00 312 K 8.01 4.03 0.00 2.34 2.18 0.00 2.15 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.89 2.01 7.81 313 I 7.90 3.99 2.12 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 1.73 1.54 0.95 0.00 0.00 314 V 7.37 3.62 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 0.97 0.00 0.00 0.92 0.00 0.00 *316 I 7.71 3.87 1.97 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.92 0.00 0.00 317 E 7.74 4.06 0.00 2.21 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 2.31 2.52 0.00 318 Q 8.20 4.23 0.00 2.44 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.96 0.00 319 F 8.35 4.25 0.00 3.02 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 0.00 320 Y 8.22 3.96 0.00 3.12 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 0.00 321 R 8.36 3.80 0.00 2.12 2.39 0.00 3.36 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.79 0.00 322 Y 7.58 2.48 0.00 2.23 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 0.00 323 V 7.14 3.19 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 0.83 0.00 0.00 0.42 0.00 0.00 324 Q 7.23 3.69 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 1.44 1.88 0.00 325 E 7.63 4.16 0.00 1.79 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 0.00 2.32 2.30 0.00 326 N 7.12 4.58 0.00 1.79 2.22 0.00 0.00 6.58 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 327 R 7.36 2.66 0.00 1.80 2.03 0.00 2.62 0.00 0.00 2.97 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.37 0.00 328 A 7.80 3.77 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 0.00 329 D 7.78 4.56 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 0.00 330 G 7.68 3.69 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 0.00 0.00 0.00 331 Y 7.42 3.51 0.00 3.26 3.10 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 0.00 332 Q 8.50 4.25 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.58 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 333 T 7.21 4.74 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 1.45 0.00 0.00 334 P 0.00 4.80 0.00 2.41 2.33 0.00 3.86 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 2.19 2.12 0.00 335 W 8.79 3.62 0.00 2.94 3.25 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 0.00 336 S 8.55 3.86 0.00 4.10 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 0.00 337 V 7.76 3.53 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.99 0.00 0.00 338 W 8.25 4.19 0.00 3.68 3.37 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 0.00 339 L 8.19 3.53 0.00 1.08 1.31 0.68 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 340 K 7.49 3.94 0.00 1.85 1.77 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.34 7.81 341 S 7.38 4.21 0.00 3.72 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 342 H 7.17 4.54 0.00 1.52 2.48 0.00 5.92 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 0.00 343 P 0.00 4.22 0.00 2.08 1.95 0.00 3.14 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 344 A 8.12 4.35 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 345 K 8.16 4.52 0.00 1.71 1.70 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.36 7.81 346 A 8.60 4.11 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 0.00 347 L 8.43 4.15 0.00 1.61 1.57 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.