NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1742 8.2629 120.2786 54.7987 33.1815 174.8582 2 K 4.2967 8.4616 130.5070 54.7700 32.3484 172.2354 3 G 3.9649 8.5842 113.9720 43.8943 0.0000 171.9738 4 D 4.6156 8.4464 119.4011 54.1979 41.8363 177.4209 5 T 3.8702 8.8019 122.7856 66.7055 68.4809 176.6817 6 K 3.7990 8.1580 121.1260 59.1815 32.2080 178.9281 7 V 3.9405 8.4659 118.7281 66.2536 31.4528 178.0741 8 I 3.7955 8.0368 119.6045 64.5458 36.8795 178.2260 9 N 4.2833 8.4251 117.6590 56.2906 38.2533 177.0789 10 Y 4.1095 8.1185 118.4016 61.1659 38.0183 178.6349 11 L 3.9236 8.4464 120.2414 57.8756 41.6349 179.4346 12 N 4.3221 8.3937 116.5842 56.0169 38.4488 177.3618 13 K 3.8572 8.1382 121.1028 59.4495 32.2774 178.8781 14 L 3.7987 8.0987 119.6308 57.5358 41.4005 178.9829 15 L 3.9932 7.7948 120.7776 58.2728 42.0584 179.2227 16 G 3.6399 8.1035 105.4860 48.0178 0.0000 175.3309 17 N 4.3893 8.0553 118.8588 56.1477 38.4720 177.4210 18 E 4.1105 8.3665 120.0511 59.3703 29.1902 179.4016 19 L 4.0115 8.1462 119.3090 57.5923 41.6062 179.6992 20 V 3.5709 7.7483 117.6390 66.0499 31.4585 178.0305 21 A 3.8837 7.9962 120.4733 54.9591 18.1259 179.4441 22 I 3.7641 8.1640 118.8038 64.8661 37.2227 178.4005 23 N 4.3542 7.8526 116.5926 56.3526 38.3605 177.4262 24 Q 3.8196 8.2105 121.0107 59.4038 29.0760 177.8030 25 Y 4.2867 8.3069 118.2479 60.9090 37.8633 178.2139 26 F 3.8609 8.5906 121.7968 61.1229 39.4803 176.9156 27 L 3.9638 8.2189 120.0053 58.5163 41.8254 178.4363 28 H 3.7705 8.2430 115.9469 58.7369 28.5560 177.4336 29 A 4.1064 8.1341 122.5361 55.5422 18.2253 180.0333 30 R 3.8349 7.7814 116.1249 59.0586 30.0462 179.2476 31 M 3.4628 7.9639 119.2952 58.0727 31.7568 178.6161 32 F 4.6350 7.7858 118.1911 60.5073 39.0594 177.4275 33 K 3.8788 8.3924 119.5969 59.7640 31.7524 178.0399 34 N 4.2544 7.9092 115.6825 56.6195 38.9107 176.1726 35 W 4.7817 7.9983 117.6207 57.3131 29.3961 177.2449 36 G 3.9951 8.4498 108.2169 45.7926 0.0000 174.0810 37 L 4.7316 8.0509 122.4483 52.8959 40.3756 177.3625 38 K 3.9816 8.0101 121.9390 59.4545 32.4536 178.6561 39 R 3.9219 8.4929 119.3931 59.2886 29.8908 178.6114 40 L 4.1033 7.7941 118.5450 57.4800 41.5290 178.5588 41 N 4.5520 8.3354 117.1968 56.9220 38.8576 176.6781 42 D 4.2842 8.1964 120.0882 57.3801 40.8756 179.0118 43 V 3.2744 7.6327 118.6498 66.0236 31.4258 178.0087 44 E 3.7591 8.4567 118.5728 59.1268 29.2488 178.6116 45 Y 3.8590 8.2715 120.1650 61.0184 38.7867 177.7095 46 H 3.9745 8.2235 119.0203 59.3674 29.9025 177.0592 47 E 3.5055 8.0483 120.6943 58.9383 28.9923 179.1694 48 S 4.1232 7.8180 113.3320 61.5662 62.4174 176.3145 49 I 3.5317 7.4490 122.3564 64.3892 36.7598 178.0989 50 D 4.1712 7.9427 119.8527 57.4722 40.5776 178.7964 51 E 4.1506 8.1236 118.9378 59.3035 29.3962 179.1734 52 M 4.0500 8.0889 119.1042 58.4478 32.0608 178.8870 53 K 3.9429 8.1870 118.6551 59.7066 32.1668 179.1620 54 H 4.1464 8.1382 116.2686 58.7364 28.5551 177.5731 55 A 4.2230 8.4735 123.0161 55.2622 18.1228 179.0282 56 D 4.2806 8.2577 116.4446 57.7067 41.3085 178.6349 57 R 3.8632 7.9461 118.3300 59.6053 29.9702 178.7018 58 Y 4.2683 7.9012 116.2798 61.1339 37.8878 178.6157 59 I 3.7857 8.1863 120.9725 64.5911 37.2205 178.4072 60 E 4.0496 8.5566 119.7094 59.3110 29.2634 179.4851 61 R 4.0424 8.2948 118.8652 59.4219 30.2102 178.4883 62 I 3.7846 8.2287 120.0431 64.5485 37.1579 178.4316 63 L 4.0351 8.1163 119.7138 57.7061 41.2159 179.2121 64 F 4.3887 8.2674 119.7543 61.2906 39.6423 176.3611 65 L 4.7295 7.9421 117.3997 53.7850 41.1691 177.2520 66 E 3.7163 7.9457 117.4703 57.2771 27.1000 174.5993 67 G 3.9234 7.9032 108.3882 44.1590 0.0000 173.7456 68 L 4.5694 7.9947 118.8380 51.9581 42.4119 175.1445 69 P 4.4150 0.0000 0.0000 62.4255 31.8065 175.9513 70 N 4.7198 9.2147 122.3217 52.4182 38.8168 174.0275 71 L 4.6417 8.3526 124.2488 54.5490 42.4980 177.3646 72 Q 4.1242 8.4374 121.6777 57.7844 29.3912 175.6736 73 D 4.6027 8.1422 117.9974 53.0519 41.4984 175.0785 74 L 4.5709 8.3520 126.2943 52.8955 43.8647 176.4461 75 G 3.8682 8.5274 117.5377 44.8725 0.0000 173.2959 76 K 4.0977 8.3426 120.9966 54.4287 32.0285 173.2431 77 L 4.4593 8.2322 123.9530 52.9635 42.8604 176.4870 78 N 4.8052 9.0400 119.5830 51.9327 39.8197 174.6022 79 I 3.7606 8.3660 125.5093 64.1173 37.6178 178.3568 80 G 4.1969 8.4045 102.0627 45.9733 0.0000 172.6605 81 E 4.8290 8.8498 115.5101 55.0240 31.6997 175.7951 82 D 4.9745 7.7597 118.0873 50.3871 44.1032 176.2037 83 V 4.0289 8.3513 118.7519 66.4393 31.4353 177.5863 84 E 3.8819 8.1432 118.3888 59.3089 29.5813 178.1513 85 E 3.9538 8.6908 119.3781 59.4671 29.6596 178.7324 86 M 4.0598 8.4861 119.0547 58.4808 31.9715 178.7926 87 L 4.2259 8.2711 119.1521 57.8791 41.7164 179.7887 88 R 3.9315 8.4231 118.5030 59.1557 29.9731 179.0569 89 S 4.0900 8.3060 113.0241 61.4685 62.4371 175.8390 90 D 4.2491 8.3007 121.6206 57.2750 40.5280 178.6067 91 L 4.0207 8.3295 120.7217 58.2077 42.1554 178.8957 92 A 3.9975 8.2473 120.8579 55.0583 18.2523 179.3725 93 L 3.9237 8.0805 118.8723 58.2977 42.0663 179.0863 94 E 4.0460 8.3715 118.5864 59.4926 29.4805 179.3906 95 L 4.0408 8.2330 119.1499 57.7267 41.5133 179.2660 96 D 4.4678 8.3557 119.1184 57.3886 40.7160 179.1097 97 G 3.6217 8.3894 106.0957 47.6898 0.0000 175.6081 98 A 4.0335 8.4050 123.4239 54.7714 18.3585 179.7489 99 K 3.8751 8.0254 116.9183 59.8517 32.1936 179.2734 100 N 4.3686 7.9659 116.5568 56.1901 38.3758 177.3422 101 L 3.9883 8.1372 120.5407 57.9954 41.8293 179.7643 102 R 3.8829 8.1813 117.9694 59.2591 30.0085 178.7006 103 E 3.8419 8.1146 118.7012 59.2942 29.5659 178.7837 104 A 2.8370 7.7417 120.6759 54.7407 18.4472 179.6851 105 I 3.7258 7.9927 118.7561 64.3528 37.2271 178.9003 106 G 3.5947 7.9459 106.4771 47.9957 0.0000 175.2037 107 Y 3.9946 7.9392 122.0555 60.1775 38.8042 177.5220 108 A 3.8217 8.2649 122.1394 55.0443 18.4311 178.9898 109 D 4.0733 7.8108 115.8976 57.7507 41.1131 178.6808 110 S 3.9978 7.3802 113.8206 61.0990 62.8240 176.2418 111 V 3.8959 6.7125 111.6665 60.3830 31.5380 175.5813 112 H 2.7937 7.1683 114.3273 56.9531 26.8686 176.2802 113 D 4.5322 7.3779 119.6107 53.6461 37.9885 175.3903 114 Y 4.3311 7.5294 120.9807 60.2185 38.5513 177.6157 115 V 3.6679 7.8363 119.2721 66.0292 31.8044 177.9828 116 S 4.2080 8.4237 115.0171 61.5392 62.5794 176.6646 117 R 3.8985 8.0680 121.4004 59.5151 29.9933 178.0487 118 D 4.3131 8.3452 117.9005 57.4769 41.1911 177.7845 119 M 3.9791 8.1156 118.6487 59.1206 32.2423 178.2181 120 M 4.1421 8.1505 118.7040 58.2837 32.0831 178.8424 121 I 3.7298 8.0320 120.2570 64.3477 37.2655 178.2008 122 E 3.9592 8.0432 119.0318 59.5337 29.2338 179.5028 123 I 3.5083 7.6536 119.7089 64.2594 37.0593 178.1533 124 L 3.9266 8.3414 121.5672 58.1165 41.8977 178.9725 125 R 3.8697 8.1300 118.5829 59.5448 30.0785 178.1428 126 D 4.3387 8.0403 118.6017 57.6241 40.7662 178.8171 127 E 3.9915 8.3747 119.1188 59.3521 29.3666 179.2473 128 E 4.1150 8.6627 119.1897 59.1696 29.4579 179.5743 129 G 3.6726 8.0995 105.8850 48.1378 0.0000 175.5288 130 H 4.4807 8.1421 118.5998 58.7168 28.6894 177.8715 131 I 3.8181 8.2354 121.9494 64.4380 36.9756 177.7993 132 D 4.3687 8.4064 118.8575 57.1666 41.0001 178.0509 133 W 4.1590 8.4092 128.6145 60.5522 30.7471 177.7743 134 L 3.7473 8.5072 118.9822 57.8919 41.1436 179.3495 135 E 3.9415 8.4869 118.7178 59.8122 29.3685 179.7237 136 T 3.8297 7.8431 115.6031 66.5332 68.5130 176.6978 137 E 3.7685 7.8575 120.6410 59.3497 29.1642 179.4423 138 L 3.7796 7.7314 118.8794 57.8457 41.6134 179.3722 139 D 4.2960 8.0499 118.8290 57.2482 40.6727 178.8082 140 L 3.9841 7.9379 119.6539 57.6824 41.5958 179.4378 141 I 3.3504 7.4293 119.8104 64.3857 36.7462 178.2703 142 Q 3.8948 7.3873 118.9033 59.1090 28.9758 178.0163 143 K 4.1443 8.1163 118.9315 58.6547 32.2238 178.2466 144 M 4.4508 8.2362 114.6038 53.6805 32.4910 177.0593 145 G 4.1285 7.5703 105.6492 45.9666 0.0000 174.4886 146 L 3.9603 8.2983 121.0943 57.9025 42.1005 179.3714 147 Q 3.9811 8.0148 117.5454 59.2138 28.7782 178.4648 148 N 4.3504 8.1246 116.8948 56.3544 38.3942 176.6309 149 Y 3.9987 8.1009 120.3204 60.7642 39.1141 177.9939 150 L 4.0489 8.3375 120.1574 57.7473 41.4786 179.0442 151 Q 3.8982 8.0965 119.3568 59.2151 28.7434 178.0057 152 A 4.1182 7.6427 119.1806 53.5425 18.7333 178.2123 153 Q 4.3070 7.8827 116.1844 55.6826 29.4831 177.4234 154 I 4.3884 7.2989 112.6088 61.9874 38.1470 176.3117 155 R 4.6177 7.4993 119.1681 53.9346 31.9812 175.8545 156 E 4.1327 8.5196 120.4453 56.3626 30.1655 175.9558 157 E 4.4516 8.4183 121.5133 54.2516 32.0152 176.1131 *158 G 3.7389 8.6933 113.8142 45.8981 0.0000 172.2369 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 8.26 4.17 0.00 1.25 1.77 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 2 K 8.46 4.30 0.00 1.66 1.60 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.08 7.81 3 G 8.58 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 0.00 0.00 0.00 4 D 8.45 4.62 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.80 3.87 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 1.18 0.00 0.00 6 K 8.16 3.80 0.00 1.72 2.00 0.00 1.40 0.00 0.00 1.13 0.00 0.00 2.54 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.77 0.98 7.81 7 V 8.47 3.94 2.34 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 1.22 0.00 0.00 1.17 0.00 0.00 8 I 8.04 3.80 2.03 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 1.55 0.57 0.92 0.00 0.00 9 N 8.43 4.28 0.00 2.65 2.67 0.00 0.00 7.02 7.94 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 10 Y 8.12 4.11 0.00 3.22 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 11 L 8.45 3.92 0.00 1.87 1.82 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.39 4.32 0.00 2.90 2.82 0.00 0.00 6.63 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 13 K 8.14 3.86 0.00 1.77 1.97 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 L 8.10 3.80 0.00 0.94 1.13 0.92 0.38 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 15 L 7.79 3.99 0.00 1.69 1.82 1.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.10 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 17 N 8.06 4.39 0.00 2.94 2.90 0.00 0.00 7.06 7.82 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 18 E 8.37 4.11 0.00 2.25 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 2.75 2.88 0.00 19 L 8.15 4.01 0.00 1.81 1.72 0.93 0.76 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 20 V 7.75 3.57 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 1.01 0.00 0.00 1.01 0.00 0.00 21 A 8.00 3.88 1.42 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 22 I 8.16 3.76 2.05 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 1.60 0.76 0.90 0.00 0.00 23 N 7.85 4.35 0.00 2.94 2.86 0.00 0.00 6.74 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.21 3.82 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 25 Y 8.31 4.29 0.00 3.17 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 26 F 8.59 3.86 0.00 3.27 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 27 L 8.22 3.96 0.00 1.83 1.66 0.88 0.90 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 28 H 8.24 3.77 0.00 3.46 3.12 0.00 5.70 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 29 A 8.13 4.11 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 30 R 7.78 3.83 0.00 1.76 1.91 0.00 3.19 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.83 0.00 31 M 7.96 3.46 0.00 0.94 1.55 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.19 0.00 32 F 7.79 4.64 0.00 3.25 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 33 K 8.39 3.88 0.00 2.06 1.94 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 34 N 7.91 4.25 0.00 2.69 2.71 0.00 0.00 7.36 7.48 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 35 W 8.00 4.78 0.00 3.74 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 36 G 8.45 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 37 L 8.05 4.73 0.00 1.97 1.63 1.16 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 38 K 8.01 3.98 0.00 1.79 1.86 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.59 7.81 39 R 8.49 3.92 0.00 2.01 1.98 0.00 3.09 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 40 L 7.79 4.10 0.00 1.51 0.86 0.47 0.73 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 41 N 8.34 4.55 0.00 3.10 3.02 0.00 0.00 7.19 8.34 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 42 D 8.20 4.28 0.00 2.87 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.63 3.27 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.77 0.00 0.00 44 E 8.46 3.76 0.00 2.35 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 0.00 2.52 3.12 0.00 45 Y 8.27 3.86 0.00 2.93 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 46 H 8.22 3.97 0.00 3.28 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.05 3.51 0.00 1.16 1.12 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 1.98 1.73 0.00 48 S 7.82 4.12 0.00 3.96 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 49 I 7.45 3.53 1.71 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 0.92 0.22 0.77 0.00 0.00 50 D 7.94 4.17 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.12 4.15 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.80 0.00 52 M 8.09 4.05 0.00 2.01 2.22 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 2.79 2.55 0.00 53 K 8.19 3.94 0.00 1.85 1.80 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.60 7.81 54 H 8.14 4.15 0.00 3.54 3.34 0.00 5.65 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 55 A 8.47 4.22 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.26 4.28 0.00 2.90 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 57 R 7.95 3.86 0.00 1.80 1.78 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 58 Y 7.90 4.27 0.00 3.20 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.19 3.79 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.11 0.95 0.00 0.00 60 E 8.56 4.05 0.00 2.01 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 2.35 2.62 0.00 61 R 8.29 4.04 0.00 2.08 2.07 0.00 3.36 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 62 I 8.23 3.78 1.98 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 1.59 0.74 1.00 0.00 0.00 63 L 8.12 4.04 0.00 1.92 1.78 0.99 0.83 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 64 F 8.27 4.39 0.00 2.93 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.94 4.73 0.00 1.87 1.61 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.95 3.72 0.00 2.08 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 0.00 2.15 2.23 0.00 67 G 7.90 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 68 L 7.99 4.57 0.00 1.61 1.61 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.41 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.80 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 70 N 9.21 4.72 0.00 2.62 2.72 0.00 0.00 7.06 7.50 0.00 0.00 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 L 8.35 4.64 0.00 1.62 1.64 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.44 4.12 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.14 4.60 0.00 2.69 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 74 L 8.35 4.57 0.00 1.54 1.52 0.91 1.08 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 75 G 8.53 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.34 4.10 0.00 1.79 1.63 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.03 7.81 77 L 8.23 4.46 0.00 1.60 1.58 0.90 0.94 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 78 N 9.04 4.81 0.00 2.59 2.68 0.00 0.00 7.18 7.48 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 79 I 8.37 3.76 1.89 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 1.34 0.90 0.92 0.00 0.00 80 G 8.40 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.85 4.83 0.00 1.99 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 0.00 2.26 2.31 0.00 82 D 7.76 4.97 0.00 2.84 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 83 V 8.35 4.03 2.18 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 1.15 0.00 0.00 1.17 0.00 0.00 84 E 8.14 3.88 0.00 2.00 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 0.00 2.34 2.28 0.00 85 E 8.69 3.95 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 86 M 8.49 4.06 0.00 1.70 2.41 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.61 0.00 87 L 8.27 4.23 0.00 1.73 1.76 0.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.42 3.93 0.00 1.98 1.99 0.00 3.12 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 1.85 0.00 89 S 8.31 4.09 0.00 4.00 4.08 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 90 D 8.30 4.25 0.00 3.06 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.33 4.02 0.00 1.81 1.85 0.99 1.29 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 92 A 8.25 4.00 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 93 L 8.08 3.92 0.00 1.85 1.78 0.90 0.68 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 94 E 8.37 4.05 0.00 2.31 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 2.62 2.72 0.00 95 L 8.23 4.04 0.00 1.71 1.74 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.36 4.47 0.00 2.87 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 97 G 8.39 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 98 A 8.41 4.03 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 99 K 8.03 3.88 0.00 2.03 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.70 7.81 100 N 7.97 4.37 0.00 2.89 2.90 0.00 0.00 7.08 7.11 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 0.00 101 L 8.14 3.99 0.00 1.94 1.74 0.97 1.16 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 0.00 102 R 8.18 3.88 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 103 E 8.11 3.84 0.00 2.06 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 2.23 2.36 0.00 104 A 7.74 2.84 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 0.00 105 I 7.99 3.73 2.03 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 1.46 0.99 0.92 0.00 0.00 106 G 7.95 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.94 3.99 0.00 3.14 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 0.00 108 A 8.26 3.82 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 0.00 109 D 7.81 4.07 0.00 2.87 2.84 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 0.00 110 S 7.38 4.00 0.00 3.72 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 6.71 3.90 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 0.31 0.00 0.00 0.71 0.00 0.00 112 H 7.17 2.79 0.00 3.16 3.19 0.00 5.65 0.00 0.00 0.00 0.00 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.38 4.53 0.00 2.62 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 0.00 114 Y 7.53 4.33 0.00 3.09 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 0.00 115 V 7.84 3.67 2.17 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.42 4.21 0.00 4.06 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 0.00 117 R 8.07 3.90 0.00 1.92 2.20 0.00 3.35 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 118 D 8.35 4.31 0.00 3.00 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 0.00 119 M 8.12 3.98 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 120 M 8.15 4.14 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.82 0.00 121 I 8.03 3.73 2.00 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 1.53 0.93 0.92 0.00 0.00 122 E 8.04 3.96 0.00 2.18 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 2.32 2.54 0.00 123 I 7.65 3.51 1.94 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 0.72 0.00 0.00 124 L 8.34 3.93 0.00 1.80 1.84 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.13 3.87 0.00 1.93 2.10 0.00 3.16 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 1.68 0.00 126 D 8.04 4.34 0.00 2.96 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 0.00 127 E 8.37 3.99 0.00 2.11 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 0.00 2.62 2.55 0.00 128 E 8.66 4.12 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 129 G 8.10 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.14 4.48 0.00 3.55 3.57 0.00 5.65 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 0.00 131 I 8.24 3.82 2.11 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 1.50 0.94 0.97 0.00 0.00 132 D 8.41 4.37 0.00 2.98 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.41 4.16 0.00 3.52 3.48 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 0.00 134 L 8.51 3.75 0.00 2.00 1.78 1.20 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.49 3.94 0.00 2.13 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 2.34 2.58 0.00 136 T 7.84 3.83 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 1.17 0.00 0.00 137 E 7.86 3.77 0.00 1.50 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.73 3.78 0.00 1.74 1.61 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.05 4.30 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.98 0.00 1.88 1.83 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.43 3.35 1.70 0.00 0.00 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 -0.28 -0.11 0.69 0.00 0.00 142 Q 7.39 3.89 0.00 1.96 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.12 4.14 0.00 1.76 1.84 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.60 7.81 144 M 8.24 4.45 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.88 0.00 145 G 7.57 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.30 3.96 0.00 1.73 1.66 0.92 0.84 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 0.00 147 Q 8.01 3.98 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 148 N 8.12 4.35 0.00 2.93 2.88 0.00 0.00 6.68 7.48 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 0.00 149 Y 8.10 4.00 0.00 2.95 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 0.00 150 L 8.34 4.05 0.00 1.85 1.68 0.87 1.25 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 0.00 151 Q 8.10 3.90 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.64 4.12 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 0.00 153 Q 7.88 4.31 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 154 I 7.30 4.39 1.87 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 1.55 1.45 1.02 0.00 0.00 155 R 7.50 4.62 0.00 1.78 1.86 0.00 3.20 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 156 E 8.52 4.13 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 157 E 8.42 4.45 0.00 1.87 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 2.17 2.26 0.00 *158 G 8.69 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.