NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.2966 8.3344 115.2905 57.5119 64.1025 173.4183 1 L 4.3446 7.6168 123.1902 52.4704 42.5879 174.1843 2 K 4.3889 9.0421 126.6374 55.0108 34.2471 176.8916 3 R 4.1373 8.1952 119.1222 56.3632 30.8415 176.6847 4 K 4.7047 9.0626 120.8378 55.5762 34.6341 175.5930 5 N 5.2503 9.5998 121.1954 51.8775 40.9151 173.8560 6 I 4.8465 8.3720 125.5838 59.1535 39.8978 175.1324 7 A 4.3588 8.4993 130.1611 51.3493 19.6724 175.7106 8 L 4.8479 8.9605 124.4606 53.1375 45.4402 175.1989 9 I 4.9777 8.6576 126.8945 57.7350 39.7767 172.7891 10 P 4.7507 0.0000 0.0000 61.6319 31.5362 177.2048 11 A 4.7546 8.8343 127.9523 50.6785 18.5192 174.1689 12 A 4.6673 7.7547 124.3871 50.1171 23.6582 178.9410 13 G 3.9956 8.4552 107.2628 44.3300 0.0000 174.4961 *23 P 4.1821 0.0000 0.0000 61.5760 32.3251 176.5466 24 K 3.6725 7.6659 115.9416 57.0775 33.0118 177.1787 25 Q 4.3535 8.1049 119.1007 56.4097 29.1109 176.0691 26 Y 4.8151 7.5291 117.6183 58.7186 38.2456 176.6745 27 V 3.6332 7.7018 118.8008 60.9588 31.9662 180.3969 28 E 4.4770 8.7548 125.3981 55.2908 29.6260 176.6019 29 I 4.4502 8.1542 124.5052 60.7696 40.4419 175.9589 30 G 4.0595 8.5888 116.9297 46.3830 0.0000 174.9476 31 S 4.4919 8.7441 117.1308 58.3773 64.2592 174.0133 32 K 4.6801 7.6676 119.8615 54.1280 35.0895 175.3503 33 T 4.8339 8.1314 112.1040 60.6311 70.9579 175.5700 34 V 3.6662 8.4803 120.8983 66.3505 31.4665 177.6446 35 L 4.0044 8.2282 119.8346 58.5952 41.7533 178.9748 36 E 4.1181 8.3907 117.9524 59.4719 29.1050 179.1523 37 H 4.2380 8.0745 115.9868 58.7027 29.0783 177.6010 38 V 3.7557 7.9806 120.0177 66.1699 31.3629 178.1052 39 L 4.0552 7.9988 118.7461 57.6382 41.1028 179.7582 40 G 3.7332 7.8206 105.7243 47.8138 0.0000 175.8587 41 I 3.6358 7.4400 121.2915 64.1578 37.4199 178.1791 42 F 4.3235 7.8537 118.0603 60.3626 38.7858 177.7150 43 E 4.0691 8.5293 117.8047 58.9340 29.3719 177.9526 44 R 4.3050 7.6762 112.7725 56.1951 30.3018 175.3918 45 H 4.5811 7.9298 120.4829 54.8324 30.6072 175.5077 46 E 3.9353 8.8576 126.7740 59.5202 29.4171 177.9072 47 A 4.2454 8.0072 118.3905 52.8302 18.9990 176.9978 48 V 4.1247 7.5169 116.2890 62.0190 32.4025 175.2883 49 D 4.8138 8.9880 126.4960 55.4359 42.3473 176.2205 50 L 4.5304 7.4374 118.0228 54.2925 45.9182 173.8167 51 T 4.9287 8.2453 119.0261 61.6788 72.5866 172.9841 52 V 4.4564 8.6605 125.7443 60.7908 35.0456 174.1772 53 V 4.7582 8.2068 126.5365 60.9689 34.6665 174.0899 54 V 4.8566 8.6175 127.4304 61.4120 33.6085 174.7645 55 V 5.2352 8.9905 121.1416 58.1978 35.3716 175.8486 56 S 4.5902 8.5728 117.0628 57.6163 63.5007 173.3299 57 P 4.5296 0.0000 0.0000 64.3679 31.3332 176.7745 58 E 4.2862 7.9221 118.0312 57.1391 30.2894 175.4780 59 D 4.4483 7.7166 118.3832 55.2644 41.0477 176.6179 60 T 4.2095 8.7320 123.9714 66.4473 68.9301 176.9069 61 F 4.1809 8.2969 121.6010 60.7296 39.3157 176.5248 62 A 3.9518 7.9618 120.9979 55.4311 17.8239 179.0046 63 D 4.3050 7.4630 115.4099 57.8128 41.0733 179.1721 64 K 3.9921 7.7414 118.6067 58.8794 31.9532 179.7144 65 V 3.5051 7.1666 118.2665 66.0880 31.4830 177.4660 66 Q 4.0303 8.0112 119.2419 59.8515 28.4540 178.9056 67 T 3.8313 7.4036 115.7848 66.0986 68.6077 176.0276 68 A 4.1532 7.7519 120.5667 52.3202 20.3657 177.6040 69 F 4.7653 7.4028 115.8353 54.4573 39.3404 173.6938 70 P 4.4056 0.0000 0.0000 65.6827 31.6353 178.6038 71 Q 4.1812 8.0337 115.1292 56.7479 29.0310 175.6788 72 V 4.1443 7.4887 119.0475 61.9163 33.0308 175.7241 73 R 4.1976 8.3333 126.9617 55.1746 30.9987 175.9077 74 V 4.4130 8.2213 126.1825 61.6767 32.0137 175.1351 75 W 5.1336 8.9583 128.6633 54.3633 31.5857 177.0310 76 K 5.3804 8.6154 121.7066 55.1915 31.7663 176.5753 77 N 5.0707 7.6843 113.3241 51.8253 37.7353 174.8152 78 G 3.8875 7.9863 106.5855 45.9831 0.0000 172.3170 79 G 4.3411 8.0409 108.5315 43.6431 0.0000 173.0618 80 Q 4.1436 8.3467 117.7810 57.8328 29.1297 176.9559 81 T 4.7260 7.4210 107.0383 59.1588 73.1350 174.7215 82 R 3.9039 8.4639 120.7010 59.5186 30.1354 178.5182 83 A 4.0459 7.9234 120.3479 54.8833 18.3600 179.0822 84 E 3.9294 8.1262 118.2028 59.5629 29.7464 179.1538 85 T 3.9157 7.9588 110.0135 64.7508 68.8444 176.8128 86 V 3.6122 7.9311 121.1679 65.5973 31.5121 178.0077 87 R 3.8945 7.9658 118.3207 59.6892 30.0269 178.3873 88 N 4.5358 8.6473 116.6706 55.9948 38.4602 177.8271 89 G 3.8006 8.1908 107.4944 47.7694 0.0000 176.0863 90 V 3.6482 7.9130 120.7595 65.6078 31.5385 177.9397 91 A 3.8525 7.9830 120.5558 55.1629 18.2774 179.6096 92 K 3.7035 8.1940 118.0242 59.3714 32.2296 179.0304 93 L 4.2826 8.1992 119.5893 57.6028 41.5064 179.5211 94 L 3.9516 7.8713 118.7361 57.8705 41.5797 179.0208 95 E 3.9449 8.5860 118.0035 59.4198 29.5081 178.4238 96 T 4.1607 7.7677 114.5505 64.0296 68.8502 175.9957 97 G 4.0353 8.0499 108.5610 45.1351 0.0000 174.5882 98 L 4.1030 7.8983 118.5239 56.5638 41.9692 177.0648 99 A 4.8255 7.8216 119.7591 50.0999 21.5313 175.3812 100 A 4.6805 9.7727 125.3597 50.1846 20.8791 178.0459 101 E 3.9480 8.8265 119.1015 59.8451 29.4656 179.4240 102 T 4.6013 7.7102 104.7930 61.7636 69.6766 174.3777 103 D 4.6593 8.2324 123.7747 54.4208 42.5164 175.2204 104 N 5.0118 8.8571 119.5049 53.0439 40.3479 174.1441 105 I 4.7961 8.9941 124.5386 59.7365 40.1552 174.8479 106 L 4.9614 8.5119 128.4299 53.0839 42.0858 174.7410 107 V 4.3349 8.3192 123.9664 62.6810 32.7202 174.0022 108 H 5.2704 9.1506 128.2746 53.9887 33.3492 172.6385 109 D 4.4003 8.2532 124.5216 54.2904 41.1544 177.7478 110 A 3.9967 8.5837 126.0493 54.5431 18.8648 177.8837 111 A 4.4560 7.9406 117.5589 52.4137 19.5456 177.7417 112 R 5.0443 7.5398 117.9036 54.9697 28.6569 176.3135 113 C 4.5216 7.7902 109.1576 58.9181 30.2573 174.5650 114 C 4.7098 7.7601 115.3107 59.1901 28.9332 173.4058 115 L 3.9991 7.9988 121.0500 54.1154 41.8511 175.1950 116 P 4.3875 0.0000 0.0000 62.1720 32.2379 177.4102 117 S 4.0318 8.6685 116.1653 61.5238 62.3528 176.1868 118 E 4.0313 8.1526 121.2003 58.6487 29.4839 178.4162 119 A 4.0184 8.2260 121.7004 54.8465 18.4839 179.2064 120 L 3.8267 7.8646 118.2185 58.0923 42.0273 178.9809 121 A 3.9784 7.8774 120.1590 55.2895 18.4399 179.4649 122 R 3.8954 7.7516 116.2095 59.5073 30.1283 178.8749 123 L 3.8725 7.7801 119.4538 58.3886 42.1420 179.1408 124 I 3.6942 7.7259 119.6634 64.1983 36.7784 178.1474 125 E 3.8985 8.7451 120.1465 59.3953 29.6589 178.4259 126 Q 4.2324 8.5308 116.0278 57.0540 29.3021 176.9286 127 A 4.7116 8.3116 120.4511 51.9563 20.3897 178.4481 128 G 3.5833 7.9007 105.5782 47.8853 0.0000 174.3621 129 N 4.8233 8.1366 114.6856 52.4770 39.2881 173.6417 130 A 4.6156 7.7204 122.1368 49.9477 20.6825 177.8696 131 A 4.0258 8.8907 126.9935 55.5047 18.5788 178.1203 132 E 4.1392 8.2079 111.9397 56.8062 30.6545 178.1517 133 G 3.9497 8.3284 109.4527 47.2204 0.0000 172.6722 134 G 4.4880 6.0612 107.8476 46.1510 0.0000 172.1985 135 I 4.9625 7.8694 114.3378 58.4641 41.6338 174.4713 136 L 4.7922 8.1269 122.0146 54.8291 42.8349 176.0503 137 A 5.1388 9.6187 124.0653 51.2020 23.5180 175.2836 138 V 4.7424 8.8101 111.8806 58.6768 35.5851 173.9473 139 P 3.6162 0.0000 0.0000 62.4456 31.8947 176.9237 140 V 3.6272 8.1240 123.5549 62.6833 30.2111 175.4687 141 A 4.1088 8.2793 130.7898 53.8490 18.9528 177.3376 142 D 4.8165 7.6650 114.4496 52.7738 42.4720 176.4691 143 T 3.8995 8.3484 118.5876 64.5189 69.3260 173.3024 144 L 4.8447 8.3244 124.2271 53.0728 44.4329 175.4977 145 K 5.0211 8.4422 120.8554 54.6360 35.9178 175.4764 146 R 4.5202 9.5643 125.4951 55.1766 31.7245 174.7421 147 A 5.0597 8.5752 127.1181 51.9652 21.4255 173.7937 148 E 4.1220 9.3169 119.5929 56.6965 30.3490 178.8563 149 S 4.5492 9.2066 120.8327 58.1677 62.8319 174.7850 150 G 3.9350 8.2518 105.2863 45.4945 0.0000 171.7237 151 Q 4.6702 7.5022 117.2486 53.4611 32.4369 174.3979 152 I 4.4677 8.2188 120.7336 61.2460 37.5113 176.1996 153 S 4.7463 8.5642 119.8571 58.0510 64.1737 173.8899 154 A 4.3506 7.3845 120.3025 51.9428 22.1717 175.2832 155 T 4.8513 8.6362 116.8418 62.2029 69.6698 174.9013 156 V 4.2250 8.0890 120.2387 59.8536 33.3221 175.9980 157 D 4.4467 8.6458 123.3234 54.4012 41.8520 176.1463 158 R 4.5001 8.4030 121.0012 55.6272 29.9861 175.3700 159 S 4.1961 7.8618 114.1755 60.0830 62.4566 174.0749 160 G 4.0647 8.8441 114.8336 46.4109 0.0000 172.6193 161 L 5.0154 7.7282 119.0397 52.8815 44.1670 175.7153 162 W 5.5193 8.7269 119.8513 55.3220 33.8061 174.2043 163 Q 4.8039 9.1416 121.0694 54.2579 30.5371 174.9695 164 A 4.7339 8.7091 125.6679 51.8415 19.8836 176.7969 165 Q 5.1316 8.3955 120.8375 54.8064 32.0966 174.7545 166 T 4.8319 8.3283 108.9828 60.2101 72.0269 172.1511 167 P 4.7734 0.0000 0.0000 62.8935 33.1420 175.6708 168 Q 4.3371 9.0284 121.7162 54.2465 31.0148 174.6034 169 L 4.6970 7.9022 127.5798 53.8864 43.3913 175.4621 170 F 5.2772 8.8422 124.1331 55.5514 44.0197 174.5109 171 Q 4.4583 9.0097 119.9775 56.1958 29.5028 177.6004 172 A 4.1263 9.0806 124.6908 55.5770 18.5845 180.6777 173 G 3.6791 8.2457 105.7010 47.2622 0.0000 175.6885 174 L 3.9743 7.8523 122.1770 57.8391 42.2497 178.6730 175 L 3.8613 8.2702 120.6804 58.1592 41.8067 178.2944 176 H 4.1395 8.3568 117.7190 59.2374 29.9872 176.8366 177 R 3.9061 7.8539 119.6994 59.5652 29.7484 178.1838 178 A 3.9395 7.7679 118.9388 55.0728 18.3998 178.9066 179 L 4.1930 7.7273 114.7788 55.5059 42.5293 176.8089 180 A 4.3033 7.5601 125.1559 52.4678 18.9553 178.1742 *187 I 3.9609 7.5247 117.7122 60.7247 37.0226 175.7250 188 T 4.3019 8.0736 113.6865 60.6930 70.8304 175.7937 189 D 4.7853 7.9286 122.2947 50.8357 42.3455 176.8743 190 E 4.0407 8.9346 118.0117 59.7832 29.8306 179.5111 191 A 4.1013 8.7840 120.6936 55.4980 18.5087 179.8292 192 S 4.2907 8.3714 112.2782 61.6275 62.6311 176.6252 193 A 4.0227 7.5631 123.2431 54.9489 18.4378 179.4890 194 V 3.4744 7.3326 116.3138 65.9466 31.5920 177.9406 195 E 4.7855 8.2303 119.9091 58.8542 29.0659 179.3266 196 K 4.1308 7.4909 115.9384 58.4393 32.1081 178.1941 197 L 4.4432 7.5642 117.8713 54.1415 41.7315 177.2623 198 G 3.8458 7.7665 107.0642 45.6923 0.0000 173.5197 199 V 4.1088 7.4087 119.1639 61.1095 32.7223 175.1644 200 R 4.5831 8.1711 126.1555 53.5158 29.9590 173.6203 201 P 4.7637 0.0000 0.0000 61.8032 32.1715 176.5777 202 L 4.1330 8.7285 123.3628 54.8241 43.1929 176.1694 203 L 4.5357 8.0872 121.3286 53.3694 42.8296 175.8230 204 I 4.4263 8.7507 126.0035 58.9513 39.7403 175.0323 205 Q 4.3567 9.0394 127.7355 56.8254 28.9365 175.9558 206 G 4.2701 9.0253 123.2414 46.1543 0.0000 172.4027 207 D 4.6833 9.0269 120.4789 52.8915 44.5869 176.6988 208 A 4.0959 8.6534 128.3882 55.0844 18.6088 179.2101 209 R 4.0533 9.3085 115.5531 58.8668 30.2264 176.6222 210 N 4.6866 8.0524 118.5301 53.0482 38.8898 174.4310 211 L 4.2580 7.5664 117.9736 54.6154 42.3200 175.7359 212 K 4.2065 8.2929 121.7431 54.9680 32.2295 176.4755 213 L 4.2016 8.5157 129.9915 55.2600 40.8295 175.8603 214 T 4.5715 8.3669 115.4605 60.8604 71.1107 174.3421 215 Q 4.7020 7.6445 118.7867 52.7999 31.7853 174.1698 216 P 4.2299 0.0000 0.0000 66.1166 31.0557 178.5769 217 Q 4.0257 8.1489 116.8334 58.9200 29.2174 177.2609 218 D 4.6613 8.3045 118.0266 55.0181 41.1687 178.1848 219 A 4.0315 8.1581 122.6236 54.9979 18.1180 178.9344 220 Y 3.8941 8.0300 117.6557 61.1388 39.0611 178.4771 221 I 3.7048 7.8368 120.1553 64.1046 37.1811 178.5574 222 V 3.5043 7.7322 119.1087 66.0253 31.4341 177.9101 223 R 3.7827 7.9809 118.5178 59.4407 29.5565 178.1839 224 L 3.8150 7.1574 118.9648 58.1093 42.1523 178.6915 225 L 4.1160 7.4616 117.6601 57.5364 41.5927 179.2092 226 L 4.0383 7.8139 118.5432 58.8223 41.7144 176.9208 227 D 4.5779 7.7132 121.7793 54.0330 42.4894 176.1056 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 0 S 8.33 4.30 0.00 3.85 3.96 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 1 L 7.62 4.34 0.00 1.68 1.54 0.93 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 2 K 9.04 4.39 0.00 2.05 1.74 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.43 1.02 7.81 3 R 8.20 4.14 0.00 1.80 1.86 0.00 3.31 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 4 K 9.06 4.70 0.00 1.81 1.71 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 5 N 9.60 5.25 0.00 2.78 2.72 0.00 0.00 6.92 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.37 4.85 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.03 0.83 0.00 0.00 7 A 8.50 4.36 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.96 4.85 0.00 1.59 1.41 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.66 4.98 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.82 0.89 0.00 0.00 10 P 0.00 4.75 0.00 2.08 2.07 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 11 A 8.83 4.75 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 12 A 7.75 4.67 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 13 G 8.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.05 2.08 0.00 3.71 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 1.91 2.10 0.00 24 K 7.67 3.67 0.00 1.99 1.85 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.05 7.81 25 Q 8.10 4.35 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.84 0.00 0.00 0.00 0.00 0.00 1.49 2.07 0.00 26 Y 7.53 4.82 0.00 2.87 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.70 3.63 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 28 E 8.75 4.48 0.00 1.96 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 2.32 2.27 0.00 29 I 8.15 4.45 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.87 0.00 0.00 30 G 8.59 4.06 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 0.00 0.00 0.00 31 S 8.74 4.49 0.00 4.00 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 32 K 7.67 4.68 0.00 1.58 1.73 0.00 1.54 0.00 0.00 1.84 0.00 0.00 2.63 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 33 T 8.13 4.83 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 1.54 0.00 0.00 34 V 8.48 3.67 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 1.07 0.00 0.00 1.03 0.00 0.00 35 L 8.23 4.00 0.00 1.93 1.91 0.94 1.09 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 36 E 8.39 4.12 0.00 2.34 2.26 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 2.63 2.57 0.00 37 H 8.07 4.24 0.00 3.43 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.02 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3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 113 C 7.79 4.52 0.00 3.11 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 0.00 114 C 7.76 4.71 0.00 3.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.00 4.00 0.00 1.69 1.49 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.39 0.00 2.20 1.93 0.00 3.64 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 2.10 2.05 0.00 117 S 8.67 4.03 0.00 3.86 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 0.00 118 E 8.15 4.03 0.00 2.07 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 2.37 2.37 0.00 119 A 8.23 4.02 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 0.00 120 L 7.86 3.83 0.00 1.59 1.69 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.88 3.98 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 0.00 122 R 7.75 3.90 0.00 2.08 2.02 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 123 L 7.78 3.87 0.00 1.76 1.81 0.89 1.01 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 0.00 124 I 7.73 3.69 1.87 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 1.40 0.86 0.92 0.00 0.00 125 E 8.75 3.90 0.00 1.94 2.15 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 2.32 2.39 0.00 126 Q 8.53 4.23 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 127 A 8.31 4.71 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 0.00 128 G 7.90 3.58 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 0.00 0.00 0.00 129 N 8.14 4.82 0.00 2.69 2.80 0.00 0.00 6.64 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.72 4.62 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 0.00 131 A 8.89 4.03 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 0.00 132 E 8.21 4.14 0.00 2.18 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 0.00 2.38 2.46 0.00 133 G 8.33 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 0.00 134 G 6.06 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.87 4.96 1.85 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 1.15 0.90 0.90 0.00 0.00 136 L 8.13 4.79 0.00 1.70 1.66 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 137 A 9.62 5.14 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 0.00 138 V 8.81 4.74 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 0.78 0.00 0.00 0.93 0.00 0.00 139 P 0.00 3.62 0.00 1.47 1.14 0.00 3.33 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.44 0.00 140 V 8.12 3.63 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 0.75 0.00 0.00 0.96 0.00 0.00 141 A 8.28 4.11 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 0.00 142 D 7.66 4.82 0.00 2.65 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 0.00 143 T 8.35 3.90 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 144 L 8.32 4.84 0.00 1.77 1.55 0.93 0.63 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 0.00 145 K 8.44 5.02 0.00 1.58 1.65 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.34 7.81 146 R 9.56 4.52 0.00 1.80 1.78 0.00 3.05 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 147 A 8.58 5.06 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 0.00 148 E 9.32 4.12 0.00 1.94 1.68 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 2.24 2.24 0.00 149 S 9.21 4.55 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.25 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 0.00 151 Q 7.50 4.67 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 152 I 8.22 4.47 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.47 0.94 0.00 0.00 153 S 8.56 4.75 0.00 3.82 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 0.00 154 A 7.38 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 0.00 155 T 8.64 4.85 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 1.21 0.00 0.00 156 V 8.09 4.22 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 0.62 0.00 0.00 0.94 0.00 0.00 157 D 8.65 4.45 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 0.00 158 R 8.40 4.50 0.00 1.97 2.09 0.00 3.18 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 159 S 7.86 4.20 0.00 3.84 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 0.00 160 G 8.84 4.06 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 0.00 0.00 0.00 161 L 7.73 5.02 0.00 1.81 1.64 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 162 W 8.73 5.52 0.00 3.04 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 0.00 163 Q 9.14 4.80 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 164 A 8.71 4.73 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 0.00 165 Q 8.40 5.13 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 166 T 8.33 4.83 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 1.24 0.00 0.00 167 P 0.00 4.77 0.00 2.13 2.08 0.00 3.59 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 168 Q 9.03 4.34 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 169 L 7.90 4.70 0.00 1.65 1.31 0.83 0.55 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 0.00 170 F 8.84 5.28 0.00 3.07 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 0.00 171 Q 9.01 4.46 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 172 A 9.08 4.13 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 0.00 173 G 8.25 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 0.00 0.00 0.00 174 L 7.85 3.97 0.00 1.78 1.85 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 175 L 8.27 3.86 0.00 1.87 1.78 0.91 1.35 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 0.00 176 H 8.36 4.14 0.00 3.19 3.53 0.00 6.01 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 0.00 177 R 7.85 3.91 0.00 2.02 2.02 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 178 A 7.77 3.94 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 0.00 179 L 7.73 4.19 0.00 1.64 1.72 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 180 A 7.56 4.30 1.15 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 0.00 0.00 0.00 *187 I 7.52 3.96 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.91 0.00 0.00 188 T 8.07 4.30 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 0.00 189 D 7.93 4.79 0.00 2.95 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 0.00 190 E 8.93 4.04 0.00 2.47 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 0.00 2.53 2.45 0.00 191 A 8.78 4.10 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 S 8.37 4.29 0.00 4.07 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 0.00 193 A 7.56 4.02 1.27 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 0.00 0.00 194 V 7.33 3.47 1.59 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 0.73 0.00 0.00 0.19 0.00 0.00 195 E 8.23 4.79 0.00 2.17 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 2.32 2.33 0.00 196 K 7.49 4.13 0.00 1.92 1.84 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.65 7.81 197 L 7.56 4.44 0.00 1.79 1.65 0.88 0.86 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 0.00 198 G 7.77 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 0.00 199 V 7.41 4.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 200 R 8.17 4.58 0.00 1.80 1.85 0.00 3.26 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 201 P 0.00 4.76 0.00 2.04 2.31 0.00 3.75 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 202 L 8.73 4.13 0.00 1.62 1.49 0.89 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 203 L 8.09 4.54 0.00 0.70 0.42 -0.03 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 204 I 8.75 4.43 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.82 0.92 0.00 0.00 205 Q 9.04 4.36 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 206 G 9.03 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 0.00 0.00 0.00 0.00 207 D 9.03 4.68 0.00 2.77 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 A 8.65 4.10 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 0.00 209 R 9.31 4.05 0.00 1.76 2.00 0.00 3.15 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 210 N 8.05 4.69 0.00 2.82 3.01 0.00 0.00 6.76 6.13 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 0.00 211 L 7.57 4.26 0.00 1.91 1.78 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 212 K 8.29 4.21 0.00 1.73 1.77 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.40 7.81 213 L 8.52 4.20 0.00 1.63 1.73 0.93 0.81 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 0.00 214 T 8.37 4.57 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 1.21 0.00 0.00 215 Q 7.64 4.70 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 216 P 0.00 4.23 0.00 2.18 2.17 0.00 3.61 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 2.12 2.17 0.00 217 Q 8.15 4.03 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 218 D 8.30 4.66 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 A 8.16 4.03 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 0.00 220 Y 8.03 3.89 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 0.00 221 I 7.84 3.70 1.90 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 1.68 1.13 0.94 0.00 0.00 222 V 7.73 3.50 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 1.04 0.00 0.00 0.97 0.00 0.00 223 R 7.98 3.78 0.00 1.93 1.92 0.00 3.16 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 224 L 7.16 3.82 0.00 1.53 1.66 0.71 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 225 L 7.46 4.12 0.00 1.79 1.68 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 226 L 7.81 4.04 0.00 1.68 1.69 0.66 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 227 D 7.71 4.58 0.00 2.75 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.