NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5109 8.1627 120.6091 55.3879 33.9569 173.8158 2 K 4.8714 8.5355 126.3974 54.6211 35.6268 173.3874 3 I 4.6068 9.7552 129.2509 59.4232 40.7461 174.1404 4 D 5.0187 8.8218 127.2701 54.3371 41.6647 175.8794 5 I 4.2630 8.3815 123.3576 60.4227 40.8488 176.6192 6 L 3.8357 8.3757 124.8358 55.4641 39.6200 174.3858 7 D 4.7048 9.0835 117.3650 56.4969 40.1079 177.8797 8 K 4.4792 8.2828 114.6758 55.4115 34.2153 175.9569 9 G 4.1234 8.1913 108.4018 45.3158 0.0000 172.5794 10 F 5.3837 7.8285 113.5578 56.0511 41.9624 173.2113 11 V 5.1660 9.1478 119.1595 61.1903 34.5364 173.8862 12 E 5.2476 9.6589 125.8251 54.2934 33.0546 174.6239 13 L 4.2134 8.7425 125.3582 55.1691 41.9992 176.4029 14 V 3.9332 8.5116 127.3140 65.0676 32.5715 175.0277 15 D 4.4573 7.4921 116.8138 53.9296 44.5542 174.5523 16 V 4.4769 8.0332 120.4324 61.6667 34.9836 172.6942 17 M 4.2201 9.4073 128.3762 55.5400 33.9080 176.1730 18 G 4.2220 10.0486 112.6869 44.9687 0.0000 170.0579 19 N 4.8117 8.1069 113.0244 51.0102 39.7129 174.2694 20 D 4.5535 8.7251 116.1453 58.1842 40.7064 178.5645 21 L 4.2172 7.8883 119.0758 57.3228 41.5134 179.5570 22 S 4.1037 8.1942 115.5207 61.4579 62.6638 176.3756 23 A 4.1037 7.9035 123.5972 54.7610 18.1320 179.9338 24 V 3.5290 7.6340 116.4736 66.1587 31.7419 178.3523 25 R 3.8556 8.3655 117.9812 59.1204 29.7038 178.7382 26 A 3.8436 7.6312 119.0033 55.2694 18.4361 179.1980 27 A 4.0422 7.8596 117.7904 55.1107 18.5477 179.3830 28 R 4.0931 7.8731 114.1430 55.5913 31.1775 176.4921 29 V 3.2646 7.6917 117.6143 63.9020 30.3210 172.5319 30 S 4.5503 8.0715 113.9275 58.2257 66.8604 170.8231 *31 F 3.9515 9.3437 126.9128 55.7038 33.6440 171.6295 *38 E 4.4865 9.3791 121.7324 56.8288 32.1363 176.2345 39 E 3.8382 7.9507 118.4920 59.0618 29.7587 178.6250 40 R 3.9914 7.7818 117.5393 58.8578 30.2558 178.6094 41 D 4.3159 7.8742 118.5623 57.3464 41.0169 178.4866 42 R 3.4764 7.1134 119.2763 59.2744 29.8032 178.0703 43 H 4.0790 7.8251 117.7180 59.1567 29.8462 176.9093 44 L 4.0032 8.1201 122.2426 58.2155 41.8225 179.0517 45 I 3.9718 7.7506 119.6103 64.5501 37.1205 178.1946 46 E 4.0766 8.3138 119.3400 59.5342 29.3124 178.5507 47 Y 3.8180 8.2968 119.8621 60.8230 38.8148 178.2173 48 L 4.1022 8.5831 120.0075 58.1612 41.6813 179.3468 49 M 4.1233 8.3945 117.9198 58.6866 32.0483 178.1544 50 K 3.7343 8.2373 118.6626 59.0414 32.3002 177.3986 51 H 4.6901 7.5968 113.4807 54.7481 28.9753 175.6261 52 G 3.8734 7.5815 108.9292 46.4154 0.0000 174.4946 53 H 4.7356 8.1034 118.0561 54.9917 27.4404 174.6469 54 E 4.8561 8.5686 124.4207 57.6382 30.9188 178.9466 55 T 4.1369 8.0583 109.7693 64.3895 68.4904 174.4785 56 P 4.2840 0.0000 0.0000 65.1848 30.7905 177.8371 57 F 4.4847 8.0688 115.2695 58.9509 38.7818 177.0046 58 E 4.3354 8.0857 118.0699 58.5373 29.2872 176.9685 59 H 4.6723 7.6388 115.0082 55.6257 29.2515 174.4705 60 I 4.6375 7.4785 121.4011 59.5371 39.3607 174.9346 61 V 4.8279 8.2254 125.6427 61.1656 35.3086 173.9805 62 F 5.0436 9.1943 124.7939 55.8274 43.2086 174.0386 63 T 4.8867 8.5853 118.5760 61.9328 71.0428 173.2328 64 F 5.2141 9.3951 125.7473 56.0643 42.1871 174.1827 65 H 5.0359 9.1166 122.2695 54.3943 31.9880 173.2072 66 V 4.4799 8.4093 125.5162 60.6691 34.7940 173.7297 67 K 4.6826 7.6464 128.7241 54.5211 34.0597 174.5511 68 A 5.4768 8.6816 127.6048 50.4772 23.1144 173.8740 69 P 4.2466 0.0000 0.0000 62.1959 32.3267 177.6308 70 I 3.4756 8.6086 124.1358 64.7730 36.5549 178.7476 71 F 4.1643 8.3209 115.0890 59.9717 37.4343 177.7699 72 V 3.2915 6.3950 117.8172 65.6615 31.3423 177.7034 73 A 3.8531 7.8202 120.6040 55.1447 17.8042 179.8772 74 R 3.6657 7.7965 116.1782 59.2218 30.2434 178.9737 75 Q 4.1478 7.7348 116.8401 58.7415 28.8642 178.4794 76 W 4.2589 8.3021 129.3492 60.5853 30.5517 177.3340 77 F 3.8203 8.4299 114.8495 58.4417 38.4820 177.3071 78 R 4.3723 7.7613 118.0236 57.8418 30.2089 176.4180 79 H 4.5665 8.0819 115.4857 55.5449 27.4744 175.2575 80 R 4.2907 8.5465 124.4576 58.3442 30.5360 178.0215 81 I 4.1317 7.5397 119.3390 58.0419 35.5717 173.9734 82 A 4.3308 6.9482 125.0235 51.8424 22.0330 175.4817 83 S 4.8446 8.0560 114.6961 57.0804 66.3537 173.5406 84 Y 5.3410 8.5308 119.5038 56.4359 41.8029 174.5464 85 N 5.1803 9.3950 119.6123 51.6696 42.6397 173.1235 86 E 5.3780 8.9393 123.8071 53.7546 33.0779 175.0415 87 L 4.1735 8.5696 126.8373 55.3593 43.0511 176.3993 88 A 4.3716 8.8131 129.3383 51.3779 18.9535 178.1209 89 G 3.7712 8.5356 112.1624 47.6030 0.0000 174.7981 90 R 3.9236 7.6875 118.3209 58.3560 30.4590 176.6810 91 Y 4.7472 7.6729 113.1412 59.4871 39.6750 176.4224 92 S 4.4683 8.0954 115.0262 57.3364 63.6389 174.1871 93 K 4.1511 8.6931 126.2447 56.7045 32.3991 176.3147 94 L 4.5084 8.8437 126.6594 54.2949 42.6229 176.7717 95 S 4.7485 8.3202 117.3933 57.9428 64.1429 174.9699 96 Y 4.0615 8.1951 124.8599 56.8497 36.5336 173.1182 97 E 4.5776 7.2848 120.5844 54.3341 34.0352 174.2926 98 F 5.2027 8.7583 122.2730 55.6344 43.3725 174.0259 99 Y 4.8962 8.8859 124.2913 56.8226 39.0071 175.0689 100 I 4.0181 8.4553 129.2448 58.7470 37.7697 174.3934 101 P 4.0138 0.0000 0.0000 62.4004 31.9053 176.6103 102 S 4.5091 8.3495 115.3098 57.0139 64.5074 173.2631 103 P 4.1666 0.0000 0.0000 66.1038 31.0011 178.6931 104 E 4.0401 7.8080 116.3262 58.7610 29.0458 179.1286 105 R 3.6030 7.8321 118.4862 58.3160 30.2890 176.7718 106 L 4.6994 7.5940 117.4960 54.2587 41.8855 175.7976 107 E 4.2007 7.7068 119.8095 57.7290 29.7158 176.1373 108 G 3.8429 9.0152 111.2019 45.5294 0.0000 173.2283 109 Y 4.3311 7.3314 117.2106 56.3275 38.7163 175.4446 110 K 4.3135 8.6796 125.4691 55.6892 31.9304 176.1449 111 T 4.6906 8.0775 114.0662 59.7030 70.9673 174.9387 112 T 3.9811 8.5796 120.7564 65.5979 68.8590 174.4362 113 I 4.4082 7.3987 121.8693 58.3381 39.1697 173.5924 114 P 4.2845 0.0000 0.0000 62.5359 32.0561 175.2212 115 P 4.2268 0.0000 0.0000 66.2387 31.2401 178.8771 116 E 4.0127 8.1023 116.4595 59.1284 29.3241 179.1968 117 R 3.9103 8.0022 119.1333 58.9961 30.1189 178.5259 118 V 3.5089 7.7031 117.6676 66.3006 31.5619 177.5921 119 T 3.7814 7.7103 115.3919 66.8505 68.3449 175.8493 120 E 3.9067 8.0165 120.5730 59.4070 29.5547 178.9885 121 K 3.9531 8.3939 118.7802 59.4312 32.0434 179.4584 122 I 3.6264 7.8624 120.0515 64.5641 37.0875 178.5114 123 S 4.0816 8.0592 115.9402 61.5382 62.5055 176.6003 124 E 3.8975 8.1476 121.8565 59.2904 29.4278 178.7858 125 I 3.6211 7.4131 119.5787 64.4283 37.1129 178.2654 126 V 3.1605 7.5483 118.9191 66.0994 31.1772 177.5952 127 D 4.4130 8.1037 117.3302 57.3103 41.0412 178.3087 128 K 3.9665 8.3063 118.9641 59.3656 32.0508 179.1293 129 A 4.0064 8.6055 121.3441 55.4943 18.2810 179.1036 130 Y 4.1728 8.3933 118.3114 60.9575 38.8223 178.4105 131 R 3.9394 8.2810 119.1519 59.4449 30.0667 179.1558 132 T 3.8470 8.2494 115.8731 66.5833 68.4492 175.9010 133 Y 4.1424 8.1427 121.4729 60.8588 38.7632 178.3540 134 L 3.5361 7.8266 119.7485 57.5128 41.6461 178.9588 135 E 3.8445 8.2063 119.3264 59.3084 29.5087 178.8788 136 L 3.9112 7.9758 118.8547 57.9417 41.7384 179.4757 137 I 3.7232 7.4132 119.5340 64.5793 36.7735 178.2888 138 E 3.9515 7.9538 118.1061 59.4979 29.3882 179.1772 139 S 4.3471 7.9339 113.2647 59.5550 62.9327 175.2173 140 G 3.9102 7.7084 110.1690 45.0383 0.0000 173.6441 141 V 3.7361 7.4314 120.0330 61.2222 32.1306 174.8843 142 P 4.3800 0.0000 0.0000 63.2437 32.9483 177.6050 143 R 3.9631 8.6254 119.2556 59.4346 29.8684 179.1015 144 E 4.0190 8.1506 115.8832 58.5258 29.9344 178.5301 145 V 3.9530 7.6366 118.5377 65.1479 32.2386 177.3833 146 A 4.1218 8.2095 120.8872 55.0845 18.2440 179.2607 147 R 4.0109 8.4128 113.5767 57.9191 29.5169 178.4984 148 I 3.8818 7.6012 113.6270 63.3315 37.6862 177.5328 149 V 3.9418 7.1679 112.1594 61.2830 32.1226 176.2174 150 L 4.3538 7.2473 119.9376 53.5154 42.4698 175.2412 151 P 4.6078 0.0000 0.0000 62.2920 32.3978 177.0708 152 L 4.3274 8.4990 119.0204 57.0168 42.4162 177.9471 153 N 5.1014 8.3829 115.8690 52.7674 38.9028 174.6592 154 L 3.8445 8.0112 123.6266 55.6178 43.1485 175.7766 155 Y 4.5245 8.4709 124.8302 58.2683 38.7457 174.7426 156 T 4.7758 9.0759 117.6322 60.3063 71.8295 172.2834 157 R 5.2848 8.3976 120.9222 54.4619 34.4933 174.6360 158 F 5.6825 8.7341 116.0739 55.7052 42.0933 173.0896 159 F 5.1070 9.6624 120.0062 56.5849 40.7436 174.5622 160 W 5.3017 9.4714 133.6108 55.9682 33.5724 173.8518 161 T 5.0593 8.5031 124.3499 61.6123 70.6765 173.7612 162 V 4.4534 8.2653 125.5081 59.9913 35.1120 174.4756 163 N 5.0903 8.5681 120.2640 51.6895 38.9536 175.8699 164 A 3.7892 8.7449 121.0587 54.9865 18.2588 180.2875 165 R 3.7936 8.0320 116.9766 59.8406 30.3224 178.5341 166 S 4.1798 8.4608 112.9158 61.2834 62.2173 175.8918 167 L 3.9113 7.8955 123.2608 58.1668 41.7398 178.9036 168 M 3.5979 8.0864 119.1449 58.0568 31.7557 178.0109 169 N 4.3569 8.1833 117.2843 56.7649 39.0619 176.4465 170 F 4.0376 8.5952 122.0899 61.4860 39.4755 177.1395 171 L 4.0412 8.4875 118.7967 57.8834 41.2159 179.0567 172 N 4.4643 8.8358 115.9443 56.2697 38.5537 176.6649 173 L 4.2905 7.6147 118.3409 56.2668 42.4554 178.3557 174 R 4.1577 8.0569 116.9800 55.9828 32.1476 176.4733 175 A 4.6255 7.5811 124.4949 49.6272 17.5075 175.5869 176 D 4.9778 7.1698 120.6016 52.3039 44.6273 176.1926 177 S 4.3411 8.9759 120.2847 60.7269 63.2040 175.0906 178 H 4.3789 8.2350 117.7923 57.7082 28.8576 175.7746 179 A 4.2628 7.6740 121.7797 51.1114 19.1568 177.4823 180 Q 4.1713 8.4986 120.5444 55.8796 30.8955 177.0394 181 W 4.3368 9.1959 135.0000 61.0687 30.8045 177.9006 182 E 3.8714 8.6565 117.6933 59.5897 28.9398 179.0182 183 I 3.9573 7.7396 117.7043 63.5757 38.0392 177.5353 184 Q 4.2598 7.9294 120.6474 58.4385 28.3419 178.8893 185 Q 3.6346 7.4193 118.4970 58.9207 28.6709 178.4941 186 Y 3.8283 7.4986 116.3972 60.9799 37.8764 178.2663 187 A 4.1048 8.2393 122.0575 55.3206 18.3883 179.6678 188 L 3.9067 8.1527 117.3441 57.7064 41.6213 179.7205 189 A 3.9364 7.6857 120.6112 55.2342 18.3152 179.5135 190 I 3.5175 7.9822 118.3168 64.5910 37.0938 178.4275 191 A 4.2055 8.3044 121.5333 55.3061 18.2522 179.6120 192 R 3.6306 7.9755 117.1720 59.4950 30.1240 178.8985 193 I 3.7222 7.8140 119.5615 64.3364 37.1162 177.8663 194 F 4.4007 8.4802 121.9207 61.5837 38.8740 177.1215 195 K 3.4100 7.6682 117.9545 59.1581 31.8612 178.2287 196 E 4.0343 7.6848 117.9800 59.4549 29.5304 179.1005 197 K 4.2698 7.9040 116.4914 57.8022 33.8841 177.2113 198 C 5.0253 8.2911 116.1801 56.9093 28.9450 172.9579 199 P 4.3026 0.0000 0.0000 65.7626 31.3877 178.7340 200 W 4.4350 8.1606 118.1817 60.0300 29.0682 178.4658 201 T 4.0704 8.8498 116.1288 66.6168 67.8422 176.5652 202 F 3.8831 8.3146 122.7486 60.9314 39.3746 176.8870 203 E 3.8531 8.5689 118.8513 59.3754 29.5336 178.6682 204 A 4.0706 8.1634 120.7698 55.0386 18.3593 178.9692 205 F 4.1760 8.4711 119.4432 61.6980 39.1751 177.0732 206 L 3.4134 7.2350 117.1841 57.9016 41.5315 179.6983 207 K 3.8127 7.5158 116.6253 58.6724 31.9695 178.1585 208 Y 4.7568 8.1542 114.5963 57.8234 39.9368 176.4673 209 A 4.5802 7.7565 119.6645 52.6993 21.4747 175.9592 210 Y 4.0499 7.6547 117.4202 58.1449 38.7591 176.1478 211 K 4.0049 8.8403 126.2092 56.4143 32.9175 176.9100 212 G 3.8007 5.4429 107.9743 43.7447 0.0000 172.3383 213 D 4.8016 7.8871 116.2351 54.2297 41.4082 178.5134 214 I 3.8930 7.7775 112.7054 63.1988 37.9111 177.3415 215 L 4.2583 8.2953 119.7475 56.0399 41.5973 177.7920 216 K 4.2635 8.0085 117.3627 57.5750 32.6031 177.5086 217 E 4.3428 8.2442 119.4490 57.6755 30.7417 176.9118 218 V 4.0393 7.7576 119.6216 60.7222 32.0166 177.7428 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 1 M 8.16 4.51 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 K 8.54 4.87 0.00 1.72 1.52 0.00 1.17 0.00 0.00 1.46 0.00 0.00 2.65 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.23 1.38 7.81 3 I 9.76 4.61 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.88 0.00 0.00 4 D 8.82 5.02 0.00 2.57 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 I 8.38 4.26 1.03 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 1.12 0.37 -0.01 0.00 0.00 6 L 8.38 3.84 0.00 1.96 1.83 0.54 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.08 4.70 0.00 2.96 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 8 K 8.28 4.48 0.00 0.90 1.42 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.41 7.81 9 G 8.19 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.83 5.38 0.00 3.20 3.12 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 0.00 0.00 0.00 0.00 11 V 9.15 5.17 2.21 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 1.22 0.00 0.00 1.21 0.00 0.00 12 E 9.66 5.25 0.00 2.09 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 2.35 2.18 0.00 13 L 8.74 4.21 0.00 1.68 1.60 0.67 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.51 3.93 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 0.79 0.00 0.00 0.52 0.00 0.00 15 D 7.49 4.46 0.00 2.64 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 0.00 0.00 0.00 0.00 16 V 8.03 4.48 1.85 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 0.08 0.00 0.00 0.69 0.00 0.00 17 M 9.41 4.22 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 18 G 10.05 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 0.00 0.00 0.00 19 N 8.11 4.81 0.00 2.73 2.81 0.00 0.00 7.43 9.28 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 20 D 8.73 4.55 0.00 2.53 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 21 L 7.89 4.22 0.00 1.80 1.76 0.96 1.17 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 22 S 8.19 4.10 0.00 4.02 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 23 A 7.90 4.10 1.09 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 24 V 7.63 3.53 2.30 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 1.11 0.00 0.00 1.13 0.00 0.00 25 R 8.37 3.86 0.00 1.92 1.98 0.00 3.19 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.65 0.00 26 A 7.63 3.84 1.14 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 0.00 0.00 27 A 7.86 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.87 4.09 0.00 1.80 1.97 0.00 3.31 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 29 V 7.69 3.26 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 0.66 0.00 0.00 0.95 0.00 0.00 30 S 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1.42 0.99 7.81 111 T 8.08 4.69 4.28 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 1.28 0.00 0.00 112 T 8.58 3.98 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 0.00 113 I 7.40 4.41 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 0.54 0.89 0.00 0.00 114 P 0.00 4.28 0.00 2.16 2.03 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 115 P 0.00 4.23 0.00 2.13 2.25 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 116 E 8.10 4.01 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 2.39 2.41 0.00 117 R 8.00 3.91 0.00 1.92 2.09 0.00 3.26 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 118 V 7.70 3.51 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 0.93 0.00 0.00 0.92 0.00 0.00 119 T 7.71 3.78 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 120 E 8.02 3.91 0.00 2.04 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 2.29 2.35 0.00 121 K 8.39 3.95 0.00 1.92 1.81 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.61 7.81 122 I 7.86 3.63 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.66 0.82 0.00 0.00 123 S 8.06 4.08 0.00 3.95 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 0.00 124 E 8.15 3.90 0.00 2.03 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 0.00 2.29 2.34 0.00 125 I 7.41 3.62 1.94 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 1.37 0.83 0.87 0.00 0.00 126 V 7.55 3.16 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 0.20 0.00 0.00 0.72 0.00 0.00 127 D 8.10 4.41 0.00 3.06 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 0.00 128 K 8.31 3.97 0.00 1.95 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.60 7.81 129 A 8.61 4.01 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 0.00 130 Y 8.39 4.17 0.00 3.37 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 0.00 131 R 8.28 3.94 0.00 2.17 1.97 0.00 3.18 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 132 T 8.25 3.85 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 133 Y 8.14 4.14 0.00 2.94 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 0.00 134 L 7.83 3.54 0.00 1.73 1.56 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.21 3.84 0.00 2.21 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 0.00 2.31 2.24 0.00 136 L 7.98 3.91 0.00 1.80 1.66 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.41 3.72 1.65 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.27 0.76 0.00 0.00 138 E 7.95 3.95 0.00 2.08 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 2.30 2.42 0.00 139 S 7.93 4.35 0.00 3.96 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 0.00 140 G 7.71 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 0.00 141 V 7.43 3.74 2.07 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 0.83 0.00 0.00 0.91 0.00 0.00 142 P 0.00 4.38 0.00 2.30 2.18 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 143 R 8.63 3.96 0.00 2.05 2.12 0.00 3.21 0.00 0.00 3.49 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 144 E 8.15 4.02 0.00 2.05 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 2.26 2.35 0.00 145 V 7.64 3.95 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 1.07 0.00 0.00 0.93 0.00 0.00 146 A 8.21 4.12 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 0.00 147 R 8.41 4.01 0.00 1.98 2.25 0.00 2.83 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.05 0.00 148 I 7.60 3.88 1.87 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 1.73 0.61 0.95 0.00 0.00 149 V 7.17 3.94 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 0.80 0.00 0.00 1.11 0.00 0.00 150 L 7.25 4.35 0.00 1.73 1.72 0.25 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.61 0.00 2.48 2.20 0.00 4.09 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 1.93 0.00 152 L 8.50 4.33 0.00 1.65 1.89 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 153 N 8.38 5.10 0.00 3.14 3.25 0.00 0.00 5.90 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 0.00 154 L 8.01 3.84 0.00 1.85 1.56 0.33 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.47 4.52 0.00 2.86 2.73 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 0.00 156 T 9.08 4.78 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 1.22 0.00 0.00 157 R 8.40 5.28 0.00 1.85 1.89 0.00 3.40 0.00 0.00 3.48 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 158 F 8.73 5.68 0.00 3.33 3.26 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 0.00 159 F 9.66 5.11 0.00 2.99 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 0.00 160 W 9.47 5.30 0.00 3.33 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 0.00 161 T 8.50 5.06 4.14 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 1.15 0.00 0.00 162 V 8.27 4.45 0.67 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 -0.38 0.00 0.00 0.55 0.00 0.00 163 N 8.57 5.09 0.00 3.21 2.93 0.00 0.00 6.10 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.74 3.79 1.62 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 0.00 0.00 165 R 8.03 3.79 0.00 2.02 2.17 0.00 3.34 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 166 S 8.46 4.18 0.00 3.96 3.81 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 0.00 167 L 7.90 3.91 0.00 1.57 1.37 0.76 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 168 M 8.09 3.60 0.00 1.63 2.01 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.94 0.00 169 N 8.18 4.36 0.00 2.93 3.11 0.00 0.00 6.86 7.73 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 0.00 170 F 8.60 4.04 0.00 3.23 3.30 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 0.00 171 L 8.49 4.04 0.00 2.13 2.00 1.21 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.84 4.46 0.00 2.94 2.95 0.00 0.00 7.04 7.84 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 0.00 173 L 7.61 4.29 0.00 1.52 1.65 1.02 1.29 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 0.00 174 R 8.06 4.16 0.00 0.78 1.32 0.00 2.96 0.00 0.00 2.92 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 175 A 7.58 4.63 1.43 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 0.00 0.00 176 D 7.17 4.98 0.00 2.70 2.59 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 0.00 177 S 8.98 4.34 0.00 3.99 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 0.00 178 H 8.24 4.38 0.00 3.30 3.40 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 0.00 179 A 7.67 4.26 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 0.00 180 Q 8.50 4.17 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.92 2.61 0.00 181 W 9.20 4.34 0.00 3.50 3.31 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 0.00 182 E 8.66 3.87 0.00 2.34 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 2.55 2.65 0.00 183 I 7.74 3.96 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.85 0.00 0.00 184 Q 7.93 4.26 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 185 Q 7.42 3.63 0.00 1.71 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.31 0.00 186 Y 7.50 3.83 0.00 3.16 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 A 8.24 4.10 1.16 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 0.00 0.00 188 L 8.15 3.91 0.00 1.79 1.68 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.69 3.94 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 0.00 190 I 7.98 3.52 2.08 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.91 0.73 0.00 0.00 191 A 8.30 4.21 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 R 7.98 3.63 0.00 1.90 2.09 0.00 3.03 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 193 I 7.81 3.72 2.27 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 1.10 0.00 0.00 194 F 8.48 4.40 0.00 2.87 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 0.00 195 K 7.67 3.41 0.00 0.79 1.45 0.00 1.38 0.00 0.00 1.44 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 1.15 7.81 196 E 7.68 4.03 0.00 2.20 2.00 0.00 0.00 0.00 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 2.48 0.00 197 K 7.90 4.27 0.00 2.08 1.92 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.66 1.84 7.81 198 C 8.29 5.03 0.00 2.90 2.98 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 0.00 199 P 0.00 4.30 0.00 2.29 2.34 0.00 3.62 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 1.74 1.90 0.00 200 W 8.16 4.44 0.00 3.70 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 0.00 201 T 8.85 4.07 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 1.23 0.00 0.00 202 F 8.31 3.88 0.00 2.51 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.57 3.85 0.00 2.29 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 2.32 2.36 0.00 204 A 8.16 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 205 F 8.47 4.18 0.00 3.06 3.15 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 0.00 206 L 7.24 3.41 0.00 1.48 1.44 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 207 K 7.52 3.81 0.00 1.20 0.74 0.00 1.45 0.00 0.00 1.44 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.19 1.38 7.81 208 Y 8.15 4.76 0.00 2.98 2.89 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 0.00 209 A 7.76 4.58 1.43 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 0.00 0.00 210 Y 7.65 4.05 0.00 1.43 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 0.00 0.00 0.00 0.00 211 K 8.84 4.00 0.00 1.62 1.68 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.52 7.81 212 G 5.44 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 D 7.89 4.80 0.00 2.89 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 0.00 214 I 7.78 3.89 1.91 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 1.56 0.79 0.95 0.00 0.00 215 L 8.30 4.26 0.00 1.02 1.51 0.71 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 216 K 8.01 4.26 0.00 1.94 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.64 7.81 217 E 8.24 4.34 0.00 2.36 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 2.24 1.85 0.00 218 V 7.76 4.04 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 0.69 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.