NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 H 4.7950 8.4293 116.3102 55.0953 30.1755 172.3147 -4 H 4.6494 7.4437 113.5424 54.0486 31.5995 171.3193 -3 H 4.3629 8.7631 118.7845 56.5194 30.2943 177.9945 *-2 H 4.0852 9.0232 121.7882 57.8430 28.1456 175.6305 *-1 H 5.0506 8.3291 118.2164 52.9848 29.4003 174.2686 0 H 4.5021 7.9098 125.2029 53.8283 31.3501 173.3237 -3 F 4.2529 8.6431 120.8845 59.2194 40.8943 179.6945 *-2 Y 3.9052 8.7232 123.8882 60.7430 36.9456 177.4305 *-1 E 4.6706 8.3291 120.2164 54.5848 30.3003 176.7686 0 I 3.9421 7.4898 126.9029 59.9283 41.1501 175.6237 6 R 5.0213 9.0153 127.1404 54.6282 32.7134 175.3632 7 T 4.9207 8.8783 120.2937 61.9197 71.8239 172.5575 8 Y 5.4968 9.0631 124.2483 56.2255 41.7114 174.5884 9 R 4.8236 9.1919 124.5866 55.0598 31.6040 175.7328 10 L 4.8696 8.8570 127.1238 53.1083 43.6793 176.5441 11 K 4.2733 8.8730 122.1115 56.0018 33.1901 175.7483 12 N 4.6765 8.7346 125.3597 55.3762 39.2006 174.9988 13 G 3.9108 9.3678 113.7056 45.9375 0.0000 174.1713 14 A 4.3661 7.9993 120.8316 52.4830 18.7588 179.3628 15 I 3.6643 7.6725 119.1453 63.9328 37.2663 176.1377 16 P 4.1508 0.0000 0.0000 65.6150 31.1950 178.4353 17 A 3.9919 7.9942 118.8762 55.2348 18.2845 178.7136 18 Y 3.9703 8.2352 118.0072 61.1092 38.9390 178.5499 19 L 4.0186 8.4722 120.1774 57.3846 41.6630 179.3406 20 K 3.8705 8.0737 119.9610 59.6914 32.1433 179.3196 21 V 3.7191 7.7735 119.2869 64.4247 31.3086 178.4977 22 V 3.5411 7.8771 119.1581 65.7601 31.1689 177.3788 23 E 3.7982 7.8194 117.5049 59.7069 29.5465 178.3574 24 D 4.5347 8.0218 117.1259 56.4235 41.0553 177.0249 25 E 4.6983 8.5628 115.3181 55.3569 32.0639 176.4809 26 G 2.9099 7.5610 106.1132 46.0459 0.0000 175.0623 27 I 3.7647 7.9801 120.2638 63.8332 37.8471 177.9027 28 E 4.0359 8.0583 119.1264 59.2551 28.8918 179.1118 29 I 3.6597 7.6783 119.4101 64.3585 37.2816 178.0094 30 Q 3.3629 8.0369 120.1869 59.0521 28.8441 178.4465 31 K 4.2632 8.6487 120.0968 59.5884 31.8561 179.3569 32 S 4.0614 7.8446 113.6456 61.4649 62.7515 175.8595 33 H 4.4693 7.4167 117.2246 58.0929 29.0635 177.2542 34 L 4.2815 7.7450 119.3741 55.8052 41.6147 177.1058 35 G 3.8731 8.8212 112.6488 44.1891 0.0000 173.2825 36 E 4.2998 7.8952 127.7905 53.8849 30.3683 174.4008 37 L 3.2564 8.1669 128.0596 54.8562 42.3037 175.9192 38 V 3.9722 8.2793 127.2214 64.5408 32.3628 175.9556 39 G 3.9475 7.2637 105.0007 45.3604 0.0000 171.4093 40 Y 4.6524 7.0248 122.2112 56.0716 41.3273 173.9667 41 F 5.4175 9.4899 125.5420 55.7443 43.6104 173.9317 42 F 5.6594 8.4191 114.4638 54.8915 41.2283 174.5667 43 S 4.2556 8.7938 116.0098 59.5115 62.8581 173.3062 44 E 4.4768 8.8523 122.0080 57.1979 31.5353 175.5759 45 I 4.5793 8.0772 117.0010 59.2043 41.0759 173.5555 46 G 3.9075 8.9465 112.3804 43.3164 0.0000 171.8929 47 P 4.2956 0.0000 0.0000 62.9400 31.8938 175.9273 48 I 4.2930 8.1236 122.8672 61.2370 38.8795 174.8402 49 N 4.3059 8.6930 117.0844 54.4178 36.0045 173.0406 50 E 5.1998 8.5657 119.1409 54.6449 32.3329 174.4517 51 I 5.1069 8.6629 126.5066 59.5069 40.6252 174.6038 52 V 4.9108 8.8817 126.2999 61.2675 34.3771 173.8912 53 H 5.1410 9.0056 122.9197 53.6840 32.1224 172.3439 54 I 5.9436 8.3545 120.6693 59.6088 40.4470 174.5093 55 W 5.1584 9.0216 125.3376 54.7089 32.4765 174.3896 56 A 4.9935 8.3275 125.1748 50.2436 20.3999 176.1999 57 F 5.0163 8.2769 119.1083 55.6904 42.4708 175.5524 58 S 4.3859 9.1345 116.6312 60.9306 63.6632 174.5385 59 S 4.5743 7.5676 114.0859 56.2452 66.6854 175.0039 60 L 3.6871 7.7029 121.7772 57.4679 41.3751 179.3821 61 D 4.2363 7.8048 118.7525 57.1522 40.7398 178.0569 62 D 4.2307 8.0060 118.7253 57.0943 41.1607 177.9512 63 R 3.0666 7.8660 119.1610 59.2500 29.8034 178.2108 64 A 3.7770 7.6879 120.2270 55.1561 18.3657 179.2884 65 E 3.8224 8.0123 117.7646 59.3561 29.6846 179.2137 66 R 3.8953 8.0469 118.2368 59.3557 29.9083 179.3171 67 R 3.7428 7.8983 116.8736 58.9181 30.0611 178.5964 68 A 4.0828 7.8159 119.9196 55.1684 18.4394 179.5790 69 R 3.9899 7.7730 115.4954 59.1247 30.4719 179.3934 70 L 3.3780 7.5350 115.9584 55.9711 41.7217 178.0272 *72 A 4.2852 7.8535 118.9546 51.0723 20.5202 177.4503 73 D 4.5590 7.8673 116.7026 53.1353 42.1963 175.1595 74 P 4.3489 0.0000 0.0000 65.4987 30.8542 178.8321 75 R 4.1377 8.6203 118.9306 58.2480 29.8480 178.7401 76 W 4.5163 8.1795 127.8772 60.4415 30.7154 178.0926 77 L 3.9461 8.1805 118.2303 57.4467 40.7634 179.1404 78 S 4.2873 8.1969 114.0625 60.4762 63.1196 176.3010 79 F 4.0480 7.6439 123.8258 60.9220 39.1900 176.9361 80 L 3.3314 7.4516 118.6843 57.5050 41.1758 177.8572 81 P 4.1528 0.0000 0.0000 64.9255 31.2915 178.0741 82 K 4.0266 7.6649 116.6215 57.4440 32.3410 177.3490 83 I 4.4479 6.8174 110.7227 60.3636 39.3314 177.4588 84 R 3.9723 7.8533 117.0983 58.2822 29.4539 177.0266 85 D 4.6430 7.8101 116.5183 54.7637 41.8241 177.2690 86 L 4.1963 7.6773 119.4295 56.7774 42.1923 176.7835 87 I 4.3365 7.5574 119.9318 60.8253 37.9376 175.0562 88 E 4.3776 9.3521 125.7659 58.0823 30.8521 176.3684 89 V 4.6759 7.6127 117.8143 61.1136 35.3036 173.5864 90 A 5.5537 8.5424 126.8129 50.7170 22.3976 174.8777 91 E 4.9821 9.3646 117.3745 55.0970 33.5503 173.6816 92 N 6.2600 8.6790 117.0722 51.4997 40.8116 173.3182 93 K 4.7838 8.5534 117.3284 55.7581 35.8187 175.1593 94 I 5.1064 8.2791 121.5428 59.7622 40.0079 175.1523 *96 K 4.0661 8.3620 122.1400 55.4855 33.0054 174.1850 97 P 4.1701 0.0000 0.0000 61.8913 32.3450 176.3101 98 A 3.9194 8.0087 124.3863 51.8558 18.8075 178.5398 99 R 3.8113 8.1899 118.6302 58.5819 30.1918 178.0088 100 F 4.7864 6.9420 110.1502 56.2051 38.3432 175.4653 101 S 4.1688 7.3690 117.2391 57.6754 62.5045 172.6025 102 P 4.3675 0.0000 0.0000 65.0231 31.5198 176.3356 103 L 4.2595 7.6853 121.7473 54.8302 41.6802 176.3239 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 -5 H 8.43 4.79 0.00 3.25 3.47 0.00 5.66 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 7.44 4.65 0.00 3.19 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.76 4.36 0.00 3.24 3.26 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-2 H 9.02 4.09 0.00 2.83 3.08 0.00 7.25 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-1 H 8.33 5.05 0.00 2.83 2.99 0.00 7.24 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.91 4.50 0.00 3.29 3.25 0.00 5.65 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 F 8.64 4.25 0.00 3.09 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 *-2 Y 8.72 3.91 0.00 2.57 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 *-1 E 8.33 4.67 0.00 1.60 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 2.29 1.82 0.00 0 I 7.49 3.94 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 1.41 0.17 0.91 0.00 0.00 6 R 9.02 5.02 0.00 1.16 1.57 0.00 3.25 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 7 T 8.88 4.92 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 1.24 0.00 0.00 8 Y 9.06 5.50 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 9.19 4.82 0.00 1.88 1.83 0.00 3.10 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 10 L 8.86 4.87 0.00 1.50 1.67 0.63 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.87 4.27 0.00 1.75 1.71 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.40 7.81 12 N 8.73 4.68 0.00 2.71 2.73 0.00 0.00 7.22 7.98 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 13 G 9.37 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 14 A 8.00 4.37 1.44 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 0.00 0.00 15 I 7.67 3.66 1.87 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 1.67 1.05 0.71 0.00 0.00 16 P 0.00 4.15 0.00 2.15 2.08 0.00 3.78 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 17 A 7.99 3.99 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 18 Y 8.24 3.97 0.00 3.12 3.23 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 0.00 19 L 8.47 4.02 0.00 1.66 1.65 0.36 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.07 3.87 0.00 1.91 1.97 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 21 V 7.77 3.72 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 0.74 0.00 0.00 0.96 0.00 0.00 22 V 7.88 3.54 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 0.89 0.00 0.00 0.52 0.00 0.00 23 E 7.82 3.80 0.00 1.98 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 2.28 2.30 0.00 24 D 8.02 4.53 0.00 2.77 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 25 E 8.56 4.70 0.00 2.26 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 2.27 2.26 0.00 26 G 7.56 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 0.00 0.00 0.00 27 I 7.98 3.76 1.74 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 0.82 0.00 0.00 28 E 8.06 4.04 0.00 1.99 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 2.36 2.32 0.00 29 I 7.68 3.66 2.16 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.16 1.09 0.00 0.00 30 Q 8.04 3.36 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 31 K 8.65 4.26 0.00 1.84 1.93 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.80 7.81 32 S 7.84 4.06 0.00 3.94 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 33 H 7.42 4.47 0.00 2.98 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.75 4.28 0.00 1.20 1.49 -0.50 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.82 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 36 E 7.90 4.30 0.00 1.99 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 2.23 2.23 0.00 37 L 8.17 3.26 0.00 0.89 1.24 -0.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.28 3.97 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 0.88 0.00 0.00 1.02 0.00 0.00 39 G 7.26 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 40 Y 7.02 4.65 0.00 2.67 2.51 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 41 F 9.49 5.42 0.00 2.93 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 42 F 8.42 5.66 0.00 3.06 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.79 4.26 0.00 3.94 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 44 E 8.85 4.48 0.00 1.74 1.80 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 2.13 2.33 0.00 45 I 8.08 4.58 1.85 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 1.34 0.77 0.90 0.00 0.00 46 G 8.95 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 0.00 0.00 0.00 47 P 0.00 4.30 0.00 2.15 2.03 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 48 I 8.12 4.29 1.90 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 1.45 0.71 0.95 0.00 0.00 49 N 8.69 4.31 0.00 2.94 3.03 0.00 0.00 6.38 7.66 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 50 E 8.57 5.20 0.00 2.03 1.82 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 2.25 2.45 0.00 51 I 8.66 5.11 1.86 0.00 0.00 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 0.96 0.27 1.02 0.00 0.00 52 V 8.88 4.91 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 1.04 0.00 0.00 0.94 0.00 0.00 53 H 9.01 5.14 0.00 2.65 1.83 0.00 5.27 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.35 5.94 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 1.09 0.00 0.00 55 W 9.02 5.16 0.00 3.09 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 56 A 8.33 4.99 0.77 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 0.00 0.00 57 F 8.28 5.02 0.00 2.92 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 58 S 9.13 4.39 0.00 4.03 4.04 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 0.00 0.00 0.00 59 S 7.57 4.57 0.00 3.96 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 60 L 7.70 3.69 0.00 1.37 1.46 0.66 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.80 4.24 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.01 4.23 0.00 2.80 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 63 R 7.87 3.07 0.00 0.83 1.58 0.00 2.61 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 64 A 7.69 3.78 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.01 3.82 0.00 2.06 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 2.27 2.36 0.00 66 R 8.05 3.90 0.00 1.98 2.07 0.00 3.45 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 67 R 7.90 3.74 0.00 1.66 1.86 0.00 2.97 0.00 0.00 3.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 68 A 7.82 4.08 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 69 R 7.77 3.99 0.00 1.89 1.96 0.00 3.20 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 70 L 7.54 3.38 0.00 1.38 1.51 -0.17 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 7.85 4.29 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 73 D 7.87 4.56 0.00 2.89 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 74 P 0.00 4.35 0.00 2.23 2.12 0.00 3.70 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 75 R 8.62 4.14 0.00 2.09 2.09 0.00 3.18 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 76 W 8.18 4.52 0.00 3.39 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 77 L 8.18 3.95 0.00 1.69 1.72 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.20 4.29 0.00 4.07 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 79 F 7.64 4.05 0.00 3.10 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 80 L 7.45 3.33 0.00 1.42 1.47 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.15 0.00 1.86 2.00 0.00 3.53 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 1.91 2.05 0.00 82 K 7.66 4.03 0.00 1.08 1.58 0.00 1.48 0.00 0.00 1.70 0.00 0.00 3.36 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.19 7.81 83 I 6.82 4.45 2.02 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.63 0.59 0.00 0.00 84 R 7.85 3.97 0.00 1.87 2.06 0.00 2.98 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 85 D 7.81 4.64 0.00 2.64 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 86 L 7.68 4.20 0.00 2.00 1.82 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.56 4.34 1.74 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 1.11 0.62 0.61 0.00 0.00 88 E 9.35 4.38 0.00 2.04 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 2.27 2.31 0.00 89 V 7.61 4.68 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 90 A 8.54 5.55 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 91 E 9.36 4.98 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 2.25 2.32 0.00 92 N 8.68 6.26 0.00 2.75 2.86 0.00 0.00 5.83 7.13 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 93 K 8.55 4.78 0.00 1.77 1.80 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.52 7.81 94 I 8.28 5.11 1.97 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 1.40 0.93 1.17 0.00 0.00 *96 K 8.36 4.07 0.00 1.63 1.47 0.00 1.51 0.00 0.00 1.07 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 1.37 7.81 97 P 0.00 4.17 0.00 2.07 2.00 0.00 3.58 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 1.95 2.11 0.00 98 A 8.01 3.92 0.27 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 99 R 8.19 3.81 0.00 1.86 1.93 0.00 3.10 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.63 0.00 100 F 6.94 4.79 0.00 3.15 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.37 4.17 0.00 3.59 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 0.00 102 P 0.00 4.37 0.00 2.07 2.10 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 103 L 7.69 4.26 0.00 1.34 1.40 0.85 0.89 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 * Residues marked with a * may have inaccurate shift predictions.