NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 E 4.4179 8.3033 121.7399 56.3347 31.3002 174.2498 1 M 5.2423 8.7127 124.8812 53.2734 35.4786 173.5993 2 R 4.7717 9.2757 120.0588 54.5074 35.3176 173.7887 3 I 4.9442 8.3731 121.6995 59.4742 41.0512 174.3634 4 G 5.0532 8.7589 113.5689 44.1976 0.0000 170.7501 5 H 5.5286 8.7740 119.7874 54.2154 33.7005 172.2699 6 G 4.4845 8.9017 111.2458 44.7272 0.0000 171.0308 7 F 5.5973 8.5763 122.3793 56.8304 42.2304 172.8162 8 D 4.5324 7.8988 123.5619 53.1182 45.1711 173.8923 9 V 4.6220 7.7219 121.5598 61.7376 34.8092 173.5777 10 H 4.9587 8.7469 123.2310 53.7663 32.8968 172.6579 11 A 4.6318 8.3974 123.2343 51.3363 19.9196 177.0802 12 F 5.0284 8.7821 120.2731 57.1651 39.7145 175.3970 13 G 4.1466 9.2633 112.7739 47.4688 0.0000 174.4893 14 G 4.0303 7.8835 110.0179 44.8606 0.0000 172.3407 15 E 4.7559 8.2470 116.9502 54.3992 32.4038 176.4230 16 G 4.1213 8.7499 109.2201 45.2310 0.0000 170.8264 17 P 4.9710 0.0000 0.0000 62.1445 33.0009 175.5272 18 I 4.4742 8.3269 113.7340 59.7855 40.6015 174.6159 19 I 4.9644 8.1347 122.7253 59.6729 40.3357 174.8192 20 I 4.7892 8.3822 127.9920 60.4174 39.9406 176.0431 21 G 4.1160 10.0043 113.8658 46.6348 0.0000 175.0096 22 G 3.9455 8.8646 107.1431 44.9762 0.0000 174.3166 23 V 4.4662 7.6458 120.5600 60.8753 32.9401 174.7749 24 R 4.6647 8.5812 126.6723 56.2700 31.0065 175.9972 25 I 4.4924 8.6389 124.0647 58.6202 40.6098 173.3517 26 P 4.6800 0.0000 0.0000 63.3689 31.6628 175.0238 27 Y 4.8274 8.2855 121.7774 56.7814 41.6593 174.9619 28 E 3.8203 7.8452 122.7728 58.6833 29.7460 177.4507 29 K 4.8518 7.1641 115.4751 54.5427 36.6106 176.4852 30 G 4.1864 8.3130 109.6299 44.7563 0.0000 171.9660 31 L 5.3129 8.2436 119.4539 52.7360 43.0955 177.1257 32 L 4.2550 8.9403 125.2250 54.7679 42.0837 176.6598 33 A 4.3057 8.2010 125.7066 52.4602 21.5844 176.7043 *34 H 4.2877 9.0773 117.5770 57.0983 28.4402 176.8929 35 S 4.7735 7.5242 113.5883 56.9117 65.2467 173.2167 36 D 4.3516 8.5622 118.6658 54.6645 39.3253 176.7950 37 G 3.5150 7.7769 108.3217 46.6569 0.0000 174.7307 38 D 4.9518 7.8154 121.8645 52.7490 40.0685 176.7147 39 V 3.8410 8.2511 121.2901 63.3085 31.7451 177.9127 40 A 3.9378 7.8553 120.0612 55.2213 18.3190 179.5362 41 L 3.9556 8.0879 117.4954 58.1805 41.6240 179.6180 42 H 4.2938 8.3970 116.0928 58.6966 28.7027 177.6891 43 A 3.9818 8.0656 122.6475 54.9552 18.2043 179.4535 44 L 3.8678 8.0570 118.8867 58.6050 42.1140 179.1881 45 T 3.9097 8.1688 115.9309 66.9737 68.3319 176.3207 46 D 4.3386 8.2873 120.4264 57.1752 40.8294 178.6863 47 A 4.2154 8.0715 122.7297 54.6324 17.8596 179.7408 48 L 3.9851 8.0958 117.5372 57.9286 41.6502 179.7576 49 L 4.1261 8.3350 119.3830 57.6986 41.5524 179.8218 50 G 3.5793 8.5376 105.9386 47.6523 0.0000 175.5280 51 A 4.6617 8.2206 122.8809 53.9674 18.4700 178.4217 52 A 3.8739 7.3031 115.0085 50.5785 19.4608 176.7449 53 A 3.6890 7.6275 119.7228 53.9260 16.6532 178.2484 54 L 4.5836 8.4800 117.2129 55.4212 43.8820 177.4512 55 G 3.9141 10.1764 111.5268 44.5555 0.0000 176.3513 56 D 4.5947 8.6642 124.9168 51.2646 43.4825 174.9762 57 I 3.8433 9.1296 119.6479 64.3219 37.5115 177.9874 58 G 3.6203 8.0572 105.4088 47.5059 0.0000 175.1539 59 K 4.0439 8.4616 121.5368 59.2169 32.2685 178.3487 60 L 3.8682 7.5812 119.6399 56.3077 43.2889 176.8603 61 F 5.0721 7.5402 115.8691 55.0952 39.2888 172.8795 62 P 4.5231 0.0000 0.0000 62.1848 32.4487 177.9615 63 D 4.3789 8.6654 119.1361 57.3900 41.4003 177.6418 64 T 3.8972 7.9606 112.9165 64.7267 67.5300 173.5489 65 D 4.6241 8.0813 122.0448 52.7959 41.2518 174.3234 66 P 4.3857 0.0000 0.0000 64.8152 32.0212 178.2304 67 A 3.7967 8.2156 122.3857 54.9219 18.3277 178.3349 68 F 4.6035 8.0442 111.4315 56.9192 39.5686 175.4006 69 K 4.1592 7.6846 122.0180 57.5865 32.0080 177.7296 70 G 3.8544 8.9632 110.8487 45.5071 0.0000 173.5042 71 A 4.1032 7.8397 123.3804 51.6733 19.1771 178.1894 72 D 4.6486 8.4830 121.7832 53.0280 41.8660 178.1171 73 S 4.1984 8.9799 116.1425 61.4489 62.7017 177.3347 74 R 3.9647 7.9523 120.7888 59.0511 29.8727 178.5837 75 E 4.0380 8.5688 118.5263 59.3585 29.4389 179.3806 76 L 3.4107 7.7364 118.9015 57.3981 41.5375 179.2666 77 L 4.0071 7.9594 120.2412 58.3980 42.0385 179.3484 78 R 4.0828 8.1971 117.9998 59.0833 29.9221 178.7662 79 E 3.9812 8.4242 119.0677 59.1639 29.6589 178.3669 80 A 3.9941 8.2966 120.9910 55.3056 18.3402 179.4946 81 W 4.4542 8.5985 126.7123 60.5862 30.7783 178.2930 82 R 3.7859 8.2870 118.1729 59.5156 29.3588 179.2708 83 R 3.9252 7.8959 116.2669 59.1434 30.3944 179.0529 84 I 3.9078 7.7698 119.7458 64.5002 37.1299 178.4130 85 Q 4.0340 7.9881 120.2914 58.2207 28.1795 178.8062 86 A 3.9852 7.7318 120.8201 54.7133 18.4445 178.9865 87 K 4.1777 7.5676 114.5095 57.0282 32.3248 177.8142 88 G 3.7985 8.0409 108.4900 45.0993 0.0000 172.9982 89 Y 4.9872 7.4812 116.9596 56.8746 40.2840 174.4653 90 T 5.0359 8.6437 111.4486 59.6736 73.1224 172.2297 91 L 4.1828 8.9334 123.8378 55.4933 42.3756 175.1880 92 G 3.9176 9.2433 114.8769 46.8537 0.0000 173.3201 93 N 5.1265 7.8312 113.2973 51.5337 41.4217 174.0890 94 V 4.9683 8.5016 111.9818 59.9972 36.7092 174.4009 95 D 5.0899 8.7366 121.3912 53.1721 44.9984 174.1096 96 V 4.8135 8.7810 125.3649 61.4022 35.2303 174.4910 97 T 4.9434 9.2845 123.1259 61.7123 71.8092 173.1655 98 I 4.2886 8.7137 128.9076 61.0800 38.6852 175.5396 99 I 4.8950 9.0419 127.6815 59.8748 39.3106 174.5963 100 A 4.6899 8.7549 128.9867 50.7850 22.2305 176.9580 101 Q 3.9225 9.0938 124.2571 58.9404 29.5847 175.7359 102 A 4.4314 7.3113 116.7636 50.4348 21.6622 173.5838 103 P 4.5237 0.0000 0.0000 61.4599 32.4868 175.9536 104 K 4.0809 8.4281 119.8679 56.9286 32.6181 176.0652 105 M 4.4931 8.5170 124.4653 56.2846 33.8591 177.7518 106 L 3.9101 8.2146 120.5921 57.8817 41.8205 177.2705 107 P 4.2355 0.0000 0.0000 65.5725 31.3875 177.1474 108 H 4.6121 7.9768 114.9517 56.8629 28.9865 177.3981 109 I 3.6919 7.4299 122.4595 63.8173 36.9344 176.0961 110 P 4.1899 0.0000 0.0000 66.0774 31.0738 178.6269 111 Q 3.6670 7.8640 115.8930 58.6121 28.5612 178.1372 112 M 4.5713 7.5332 121.4250 57.9976 31.9802 178.9993 113 R 3.8916 7.9469 117.8024 59.1371 30.1532 179.2843 114 V 3.5210 7.4229 117.5164 66.1256 31.5431 178.1364 115 F 4.5523 8.1440 117.8299 60.6912 38.6829 177.8517 116 I 3.7365 8.3551 119.7264 64.2853 36.9587 178.3103 117 A 3.9304 8.2779 121.9247 55.0103 18.2740 179.2601 118 E 3.9354 8.3964 117.2163 60.0953 29.4469 179.6155 119 D 4.4542 8.0965 116.9712 56.5908 40.9581 177.8570 120 L 3.7994 7.8258 116.9639 53.0904 42.2028 176.5171 121 G 3.9725 7.8325 106.7571 46.8772 0.0000 172.9382 122 C 4.8542 7.7686 113.2299 55.6276 32.8269 172.9533 123 H 4.6379 8.3322 115.9111 55.4955 29.2397 176.7269 124 M 4.0408 8.7011 121.5281 58.6961 31.9070 178.1727 125 D 4.4613 8.0229 115.9325 56.1097 41.8044 175.9228 126 D 4.6870 8.0755 118.1320 54.6285 41.1152 175.4313 127 V 4.6519 7.7353 119.8299 61.0037 34.0380 174.0910 128 N 5.0767 8.8890 126.6747 51.7604 41.6547 173.2721 129 V 5.0915 8.3078 124.6618 61.0940 34.7441 174.1951 130 K 4.8738 9.0386 125.2306 55.3295 36.6394 174.6464 131 A 5.2397 8.3900 120.7378 50.7669 22.3353 175.1728 132 T 4.7336 8.9011 113.8344 61.0065 71.6141 173.1385 133 T 5.0955 8.6300 116.2794 59.4274 71.7593 174.1379 134 T 4.4528 8.0475 108.3132 61.1069 69.2866 173.9402 135 E 3.8784 8.6461 117.6270 58.4580 27.3253 175.6996 136 K 4.4379 8.2463 113.0042 56.9217 30.8835 176.4489 137 L 4.4566 7.7725 119.7325 54.1298 43.4630 178.1151 138 G 4.1603 8.4967 111.1254 44.8588 0.0000 174.0438 139 F 4.3643 8.4634 113.1273 60.0983 37.6716 177.4827 140 T 4.2565 6.4094 111.4528 64.0310 68.8893 176.8148 141 G 3.6768 7.8381 108.5039 47.0859 0.0000 174.7653 142 R 4.5557 7.9531 118.1317 55.2481 30.3063 176.5728 143 G 4.1428 7.9474 106.0626 47.0260 0.0000 175.0842 144 E 4.5199 8.5280 119.7307 56.0882 29.8975 176.2856 145 G 3.6411 7.1365 106.7270 45.3464 0.0000 171.3244 146 I 4.7873 7.4111 118.6299 59.2792 41.0205 175.1560 147 A 5.1206 8.9281 126.9529 50.4190 22.8882 174.6020 148 C 5.0970 8.4760 118.3920 58.0510 35.4556 172.7345 149 E 5.4226 9.3771 124.9772 54.9641 32.4796 174.7855 150 A 5.1557 8.6046 122.4815 50.9501 23.3236 175.6655 151 V 5.0400 8.8261 112.1885 59.7596 36.4309 174.6951 152 A 5.0592 8.8338 123.1181 50.4106 23.1775 174.7866 153 L 5.1879 8.9913 122.7774 53.2924 44.9116 175.5123 154 L 5.3052 9.1025 125.8161 53.1778 45.3927 175.1551 155 I 4.8840 8.7617 123.8689 60.1097 40.1848 177.1009 *156 K 4.0584 8.7974 126.8461 54.8812 32.2744 173.7718 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 E 8.30 4.42 0.00 2.19 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 1 M 8.71 5.24 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.80 0.00 2 R 9.28 4.77 0.00 1.60 1.82 0.00 3.33 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 3 I 8.37 4.94 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.35 0.92 0.00 0.00 4 G 8.76 5.05 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 5 H 8.77 5.53 0.00 3.17 3.10 0.00 5.62 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 6 G 8.90 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 0.00 0.00 0.00 7 F 8.58 5.60 0.00 2.98 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 8 D 7.90 4.53 0.00 2.69 2.35 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 9 V 7.72 4.62 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.87 0.00 0.00 10 H 8.75 4.96 0.00 3.01 3.15 0.00 5.66 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 11 A 8.40 4.63 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 12 F 8.78 5.03 0.00 3.08 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 13 G 9.26 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.88 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.25 4.76 0.00 1.93 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 0.00 2.30 2.29 0.00 16 G 8.75 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 17 P 0.00 4.97 0.00 2.16 2.11 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 1.99 1.97 0.00 18 I 8.33 4.47 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 1.13 0.00 0.00 19 I 8.13 4.96 1.84 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 1.34 1.03 0.94 0.00 0.00 20 I 8.38 4.79 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.06 0.89 0.00 0.00 21 G 10.00 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 22 G 8.86 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 23 V 7.65 4.47 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 1.03 0.00 0.00 1.14 0.00 0.00 24 R 8.58 4.66 0.00 1.75 1.87 0.00 3.25 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 25 I 8.64 4.49 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.88 0.78 0.00 0.00 26 P 0.00 4.68 0.00 1.98 2.02 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 27 Y 8.29 4.83 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.85 3.82 0.00 1.47 1.74 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 0.00 2.05 1.85 0.00 29 K 7.16 4.85 0.00 1.44 1.73 0.00 1.30 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.18 7.81 30 G 8.31 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.24 5.31 0.00 1.52 1.55 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.94 4.25 0.00 1.53 1.62 0.95 0.78 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 33 A 8.20 4.31 1.05 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 *34 H 9.08 4.29 0.00 2.94 3.00 0.00 7.20 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.52 4.77 0.00 3.98 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 36 D 8.56 4.35 0.00 2.76 2.80 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 37 G 7.78 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.82 4.95 0.00 2.79 2.42 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 39 V 8.25 3.84 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 1.02 0.00 0.00 0.85 0.00 0.00 40 A 7.86 3.94 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 41 L 8.09 3.96 0.00 1.70 1.74 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.40 4.29 0.00 3.27 3.32 0.00 5.64 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 43 A 8.07 3.98 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 44 L 8.06 3.87 0.00 1.78 1.90 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.17 3.91 4.43 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 1.31 0.00 0.00 46 D 8.29 4.34 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 47 A 8.07 4.22 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 48 L 8.10 3.99 0.00 1.93 1.87 0.81 0.40 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 49 L 8.33 4.13 0.00 1.81 1.69 0.91 1.10 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 50 G 8.54 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 51 A 8.22 4.66 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 52 A 7.30 3.87 1.05 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 53 A 7.63 3.69 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 54 L 8.48 4.58 0.00 1.57 1.63 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 55 G 10.18 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.66 4.59 0.00 3.09 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 57 I 9.13 3.84 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.92 0.00 0.00 58 G 8.06 3.62 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 0.00 59 K 8.46 4.04 0.00 1.72 1.96 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 60 L 7.58 3.87 0.00 1.42 0.25 0.73 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.54 5.07 0.00 3.17 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 62 P 0.00 4.52 0.00 2.25 2.19 0.00 3.76 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 2.11 1.96 0.00 63 D 8.67 4.38 0.00 2.67 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 64 T 7.96 3.90 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 1.24 0.00 0.00 65 D 8.08 4.62 0.00 2.77 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 66 P 0.00 4.39 0.00 2.25 2.29 0.00 3.80 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 67 A 8.22 3.80 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 68 F 8.04 4.60 0.00 3.10 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 69 K 7.68 4.16 0.00 1.86 1.76 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.62 7.81 70 G 8.96 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 71 A 7.84 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.48 4.65 0.00 3.08 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 73 S 8.98 4.20 0.00 3.93 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 74 R 7.95 3.96 0.00 1.90 1.97 0.00 2.78 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 75 E 8.57 4.04 0.00 2.23 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 2.38 2.36 0.00 76 L 7.74 3.41 0.00 1.69 1.28 0.69 -0.78 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 77 L 7.96 4.01 0.00 1.86 1.85 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.20 4.08 0.00 2.13 2.07 0.00 3.25 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 79 E 8.42 3.98 0.00 2.12 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 1.89 2.34 0.00 80 A 8.30 3.99 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 81 W 8.60 4.45 0.00 3.48 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.29 3.79 0.00 2.14 1.97 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 83 R 7.90 3.93 0.00 1.84 1.94 0.00 2.99 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 84 I 7.77 3.91 1.90 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.31 0.87 0.00 0.00 85 Q 7.99 4.03 0.00 1.65 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 86 A 7.73 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.57 4.18 0.00 2.13 1.90 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.47 7.81 88 G 8.04 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 89 Y 7.48 4.99 0.00 2.82 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 90 T 8.64 5.04 4.40 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 1.24 0.00 0.00 91 L 8.93 4.18 0.00 1.68 1.65 0.61 0.81 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 92 G 9.24 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.83 5.13 0.00 2.84 2.88 0.00 0.00 5.72 7.68 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 94 V 8.50 4.97 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 0.57 0.00 0.00 0.91 0.00 0.00 95 D 8.74 5.09 0.00 2.77 2.44 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 0.00 96 V 8.78 4.81 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 0.95 0.00 0.00 0.90 0.00 0.00 97 T 9.28 4.94 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 1.22 0.00 0.00 98 I 8.71 4.29 1.85 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 1.37 0.84 0.88 0.00 0.00 99 I 9.04 4.89 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.03 0.86 0.00 0.00 100 A 8.75 4.69 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 0.00 101 Q 9.09 3.92 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 102 A 7.31 4.43 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 0.00 103 P 0.00 4.52 0.00 2.15 2.01 0.00 3.47 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 104 K 8.43 4.08 0.00 1.74 1.79 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.52 7.81 105 M 8.52 4.49 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 106 L 8.21 3.91 0.00 1.73 1.65 0.90 0.92 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 0.00 107 P 0.00 4.24 0.00 1.99 2.07 0.00 3.41 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.08 0.00 108 H 7.98 4.61 0.00 3.37 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.43 3.69 1.93 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 1.74 1.17 0.92 0.00 0.00 110 P 0.00 4.19 0.00 2.08 2.06 0.00 3.57 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 111 Q 7.86 3.67 0.00 1.79 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 112 M 7.53 4.57 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.70 0.00 113 R 7.95 3.89 0.00 1.96 1.94 0.00 3.10 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 114 V 7.42 3.52 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 1.01 0.00 0.00 0.83 0.00 0.00 115 F 8.14 4.55 0.00 3.21 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 0.00 116 I 8.36 3.74 1.86 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 1.44 0.71 0.83 0.00 0.00 117 A 8.28 3.93 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 0.00 118 E 8.40 3.94 0.00 2.39 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 2.40 2.43 0.00 119 D 8.10 4.45 0.00 2.75 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.83 3.80 0.00 1.25 0.82 0.56 0.05 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 0.00 121 G 7.83 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 7.77 4.85 0.00 3.18 2.85 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 0.00 123 H 8.33 4.64 0.00 3.24 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.70 4.04 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.47 0.00 125 D 8.02 4.46 0.00 2.63 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 0.00 126 D 8.08 4.69 0.00 2.88 2.63 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 0.00 0.00 0.00 0.00 127 V 7.74 4.65 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 0.70 0.00 0.00 0.87 0.00 0.00 128 N 8.89 5.08 0.00 2.86 2.76 0.00 0.00 6.13 7.83 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 0.00 129 V 8.31 5.09 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 0.88 0.00 0.00 0.91 0.00 0.00 130 K 9.04 4.87 0.00 1.81 1.83 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.37 7.81 131 A 8.39 5.24 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 0.00 132 T 8.90 4.73 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 0.00 133 T 8.63 5.10 4.43 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 1.24 0.00 0.00 134 T 8.05 4.45 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 1.13 0.00 0.00 135 E 8.65 3.88 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 136 K 8.25 4.44 0.00 1.95 1.97 0.00 1.86 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.51 7.81 137 L 7.77 4.46 0.00 1.78 1.55 0.91 0.79 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 0.00 138 G 8.50 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 0.00 0.00 0.00 139 F 8.46 4.36 0.00 3.35 3.35 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 0.00 140 T 6.41 4.26 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 0.76 0.00 0.00 141 G 7.84 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 0.00 142 R 7.95 4.56 0.00 1.90 2.02 0.00 3.34 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 143 G 7.95 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 0.00 0.00 0.00 0.00 144 E 8.53 4.52 0.00 2.47 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 2.39 2.54 0.00 145 G 7.14 3.64 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 0.00 0.00 0.00 146 I 7.41 4.79 1.64 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 1.12 0.87 0.83 0.00 0.00 147 A 8.93 5.12 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 0.00 148 C 8.48 5.10 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 9.38 5.42 0.00 1.95 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 2.58 2.51 0.00 150 A 8.60 5.16 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 0.00 151 V 8.83 5.04 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 0.82 0.00 0.00 0.94 0.00 0.00 152 A 8.83 5.06 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 0.00 153 L 8.99 5.19 0.00 1.74 1.51 0.98 0.89 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 0.00 154 L 9.10 5.31 0.00 1.54 1.65 0.58 0.77 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 0.00 155 I 8.76 4.88 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 1.01 0.00 0.00 *156 K 8.80 4.06 0.00 1.48 1.59 0.00 0.67 0.00 0.00 1.41 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.