NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3640 8.2649 123.5809 52.6410 20.1055 175.7054 2 T 4.5869 8.2850 113.3123 63.8002 71.5164 173.3618 3 K 5.3049 8.3109 120.5674 54.8587 37.4285 174.9677 4 A 5.3093 8.9021 123.4048 51.5116 23.5373 175.1774 5 V 5.0784 8.9430 117.1294 60.7145 35.2986 173.2486 6 A 5.0128 9.2813 124.5145 50.3060 21.8768 175.0372 7 V 4.2967 8.3645 122.9400 61.3659 33.3373 174.8172 8 L 4.8230 8.9831 130.2297 54.4037 42.6363 176.4843 9 K 4.8217 8.9596 123.0902 55.1628 36.6640 176.5993 10 G 4.4276 8.0540 109.2601 45.9835 0.0000 172.6858 11 D 4.7391 8.7896 121.6444 54.4828 41.6643 176.5201 12 G 4.1116 7.3795 108.8678 43.9650 0.0000 170.8397 13 P 4.3195 0.0000 0.0000 64.8507 31.8535 176.6931 14 V 4.3564 7.8747 120.0953 62.3926 31.9754 175.0353 15 Q 4.7709 8.0097 124.0674 55.5781 32.0026 173.0522 16 G 4.1431 7.9846 106.6705 46.3301 0.0000 171.9734 17 I 5.1251 7.8455 119.6910 59.3856 40.8180 175.0443 18 I 4.4060 8.6789 127.5012 59.4903 40.0846 174.5851 19 N 5.0068 8.2840 124.2102 51.5431 41.2664 173.9995 20 F 5.2660 8.6113 118.8618 55.9967 43.6422 173.7379 21 E 5.3528 9.5332 122.5362 55.1954 33.5812 173.6530 22 Q 4.7570 9.2120 127.9853 54.9706 31.2250 174.5529 23 K 4.2338 9.0540 126.3579 58.5292 33.0891 177.2499 24 E 4.5635 7.8340 117.9681 54.6128 31.0099 176.9436 25 S 4.1568 8.9312 118.3107 61.2435 62.7582 175.8572 26 N 4.8775 8.0720 116.5288 51.9692 37.5558 174.6507 27 G 4.0326 7.9092 108.8699 44.1140 0.0000 172.2010 28 P 4.7009 0.0000 0.0000 62.6225 32.7198 175.7374 29 V 4.6273 8.8872 121.2166 61.3339 33.6401 174.5444 30 K 5.0809 9.6002 128.1093 55.4535 34.0676 175.7288 31 V 4.7323 9.2239 125.0013 60.7687 34.2530 174.2661 32 W 5.3764 7.9709 123.7348 55.1346 31.9839 175.4309 33 G 3.7116 7.4924 106.1481 46.0049 0.0000 170.8910 34 S 5.0941 7.6577 112.7593 56.9304 66.3950 174.2485 35 I 5.0492 8.6848 125.7837 59.4501 41.5325 174.4526 36 K 4.7719 8.7701 124.4115 55.6061 36.4641 176.9706 37 G 3.9129 8.9464 106.0521 45.5800 0.0000 173.3215 38 L 4.4951 7.7726 119.9784 53.0057 43.1137 176.4239 39 T 4.3642 8.1837 111.6726 60.9934 69.5970 174.0951 40 E 4.1014 8.6018 124.6888 57.9767 30.3607 175.3680 41 G 3.7387 8.8532 109.9215 43.8538 0.0000 172.2699 42 L 4.8177 8.1588 118.4403 54.7965 42.7947 176.6256 43 H 5.0015 9.1662 119.7257 53.5205 32.7237 173.2504 44 G 4.0808 9.3061 111.0270 47.1332 0.0000 172.2112 45 F 5.5730 9.1208 125.2822 56.8852 42.2269 173.0320 46 H 5.3572 8.9028 122.4606 54.2344 34.0562 172.4994 47 V 4.5889 8.8083 120.2714 61.9511 33.1814 174.7374 48 H 5.1580 9.4189 125.3833 54.2196 30.9179 175.7659 49 E 3.7613 8.9666 122.2660 58.5211 30.0625 177.0814 50 F 4.9211 8.2284 118.3362 54.7934 41.6061 177.1223 51 G 4.4190 8.3485 113.6574 43.9279 0.0000 174.0600 52 D 4.7173 7.8578 117.5049 52.7659 42.3563 174.5051 53 N 5.0410 8.5728 124.5526 53.4843 39.1206 175.5853 54 T 3.9799 8.6890 109.7216 63.6968 69.1561 174.1205 55 A 4.7462 7.9679 125.5048 51.9980 20.2943 176.4300 56 G 3.7501 8.0241 112.9372 47.7589 0.0000 177.8598 57 C 4.3442 8.6941 117.5407 59.9177 40.4809 175.9670 58 T 3.7600 7.8336 116.4053 66.3519 66.8228 175.1806 59 S 4.5156 7.9546 114.0349 58.3499 63.4061 175.6043 60 A 4.2983 7.4005 124.8221 52.8480 18.5372 179.2423 61 G 4.3231 7.4445 104.4293 44.0326 0.0000 170.9709 62 P 4.7089 0.0000 0.0000 61.8222 33.6119 175.1225 63 H 4.4995 8.4662 116.5577 55.9670 29.4791 175.5102 64 F 4.2614 8.9981 125.0549 58.4594 40.0066 174.3672 65 N 4.8801 8.3058 124.6737 50.6298 39.1381 172.2118 66 P 4.0526 0.0000 0.0000 63.0374 31.6808 175.8662 67 L 3.1650 6.8540 119.3144 54.8891 40.4179 174.0740 *79 R 4.0900 8.2218 120.9215 55.3610 31.5076 175.7072 80 S 4.2278 8.1750 114.4204 58.1540 63.5461 175.6104 81 V 3.4779 7.9967 120.6562 65.9172 31.4752 177.1557 82 G 3.7859 8.1622 106.0573 47.6428 0.0000 173.4952 83 S 4.7796 7.7108 115.9560 58.0071 62.0538 173.6968 84 L 4.3470 8.7027 127.1444 54.0959 42.0676 178.2088 85 G 4.1275 8.6977 105.8321 44.8486 0.0000 173.0642 86 N 5.6711 8.5321 120.6997 51.4957 42.0329 173.9143 87 V 4.2973 8.4196 114.0825 60.0723 35.3220 175.1443 88 T 4.8851 8.1851 118.2681 61.9047 71.2132 172.9883 89 A 4.8695 9.0531 130.1218 50.7619 20.8048 177.1229 90 D 4.8132 8.9415 122.9872 51.7802 41.0997 177.4044 91 K 4.1236 8.4384 117.4658 59.6596 32.4309 177.4570 92 D 4.4377 8.6389 118.4443 54.8163 41.1463 177.2395 93 G 4.3767 8.8712 109.1201 44.0635 0.0000 172.5215 94 V 4.7093 7.7738 119.7099 60.9808 33.8737 174.1015 95 A 5.4378 9.1092 129.8812 49.5857 21.1948 174.8726 96 D 4.9156 8.6726 123.2830 53.4733 42.1276 176.2059 97 V 4.1640 8.8610 124.9254 61.4325 33.5613 175.0483 98 S 5.0020 8.4058 122.6240 57.8985 64.2167 172.9839 99 I 4.8621 9.5959 128.2579 59.4245 41.7801 174.2361 100 E 5.1393 8.8397 124.6175 54.5904 32.1480 174.3071 101 D 4.9499 9.2336 126.1848 52.5589 44.6055 175.8786 102 S 4.7281 8.8739 119.5694 58.4854 63.8138 174.8250 103 V 3.9988 8.0698 121.4643 64.7495 31.9275 176.4605 104 I 4.1547 7.9247 111.6322 60.7730 38.4230 174.1416 105 S 4.6550 8.6180 114.3390 57.5498 65.5066 173.8313 106 L 4.4425 8.9473 120.5352 54.1163 41.6473 176.4146 107 S 4.4822 7.7724 110.7704 58.3469 66.0414 176.0784 108 G 3.8894 8.5512 111.3353 45.2447 0.0000 174.0675 109 D 4.4935 8.7386 117.8911 57.0987 41.3840 176.7205 110 H 5.0188 8.1551 114.8919 55.3614 29.0563 174.2834 111 S 4.5436 7.8745 115.5507 58.4635 62.8041 173.9466 112 I 3.8317 8.1066 119.6587 60.2843 37.9388 175.4997 113 I 3.6826 7.1353 123.3598 62.9241 37.5090 176.5044 114 G 3.8072 9.4274 113.3305 45.3865 0.0000 172.8522 115 R 5.0471 7.3155 118.8736 54.6216 33.8527 174.3159 116 T 4.9463 8.0526 115.5232 62.1381 71.2970 173.6199 117 L 4.7038 8.8909 129.3489 54.2218 43.8556 175.4484 118 V 4.9801 8.8304 125.8830 60.9640 35.0718 174.2177 119 V 5.0389 8.6123 126.4414 60.4436 33.8411 174.6630 120 H 5.0755 9.2160 121.4715 54.3773 30.2775 174.9848 121 E 4.1863 9.0333 121.9438 58.9184 30.1413 176.9808 122 K 4.7065 8.5256 117.8575 54.0992 35.5188 175.8118 123 A 4.5659 8.3741 122.8218 51.9717 19.3869 176.6200 124 D 4.6462 9.4608 120.6938 53.0944 41.7306 176.4136 125 D 4.5417 8.7586 125.0111 53.2482 39.9181 176.5111 126 L 3.5237 9.6254 118.9222 55.8642 39.7565 175.6673 127 G 4.0234 9.1072 106.3288 45.4319 0.0000 174.4926 128 K 4.6458 7.9141 119.0131 55.8850 32.6264 177.0526 129 G 3.7631 7.6619 105.8739 44.9102 0.0000 174.8266 130 G 4.0754 8.0267 106.9408 45.7471 0.0000 173.9740 131 N 4.1725 7.5559 126.9362 54.2911 41.9478 176.2343 *140 A 4.2669 7.3069 119.4062 51.5935 20.3667 177.7799 141 G 3.6703 8.1990 108.3637 46.2475 0.0000 174.1127 142 S 4.3845 8.2536 113.5368 58.4846 64.7798 174.3730 143 R 4.4975 8.3793 120.3253 55.1482 29.2466 176.4963 144 L 4.2623 8.5728 125.1983 57.2681 42.8390 177.2814 145 A 5.1618 7.7829 118.8294 50.7351 22.9209 173.7742 146 C 5.3440 9.1958 114.2802 54.6322 44.3200 173.0134 147 G 4.6235 8.7503 105.1072 45.4524 0.0000 172.8874 148 V 4.2487 8.3637 123.4670 62.7033 32.8540 175.5625 149 I 4.2216 9.1686 129.2196 60.5903 37.9198 175.1273 150 G 4.3755 8.7033 114.9428 43.8312 0.0000 172.0648 151 I 4.3493 8.3419 122.1289 61.4290 37.4736 175.4411 152 A 4.8108 8.4348 128.2367 49.6819 22.2027 176.1031 153 Q 4.0755 8.4934 118.6525 56.4571 29.2272 175.8362 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 A 8.26 4.36 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.29 4.59 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 3 K 8.31 5.30 0.00 1.88 1.71 0.00 1.81 0.00 0.00 1.96 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.49 7.81 4 A 8.90 5.31 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 5 V 8.94 5.08 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 0.59 0.00 0.00 0.96 0.00 0.00 6 A 9.28 5.01 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 7 V 8.36 4.30 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 0.98 0.00 0.00 0.93 0.00 0.00 8 L 8.98 4.82 0.00 1.83 1.61 1.05 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 9 K 8.96 4.82 0.00 1.67 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 G 8.05 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 0.00 0.00 0.00 0.00 11 D 8.79 4.74 0.00 2.68 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 12 G 7.38 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.18 2.19 0.00 3.77 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 1.98 1.94 0.00 14 V 7.87 4.36 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 1.04 0.00 0.00 0.93 0.00 0.00 15 Q 8.01 4.77 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 16 G 7.98 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 17 I 7.85 5.13 1.83 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 1.21 0.77 0.85 0.00 0.00 18 I 8.68 4.41 1.81 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 1.26 1.35 0.36 0.00 0.00 19 N 8.28 5.01 0.00 1.44 1.74 0.00 0.00 6.38 8.10 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 20 F 8.61 5.27 0.00 2.81 2.87 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 21 E 9.53 5.35 0.00 2.42 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 2.34 2.54 0.00 22 Q 9.21 4.76 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 23 K 9.05 4.23 0.00 1.81 1.86 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 24 E 7.83 4.56 0.00 2.13 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 2.36 2.30 0.00 25 S 8.93 4.16 0.00 3.98 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 26 N 8.07 4.88 0.00 2.83 2.92 0.00 0.00 5.89 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 27 G 7.91 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 28 P 0.00 4.70 0.00 2.14 2.10 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 29 V 8.89 4.63 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 1.24 0.00 0.00 1.07 0.00 0.00 30 K 9.60 5.08 0.00 1.93 1.95 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.45 7.81 31 V 9.22 4.73 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 0.61 0.00 0.00 1.05 0.00 0.00 32 W 7.97 5.38 0.00 3.52 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 33 G 7.49 3.71 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 0.00 0.00 0.00 34 S 7.66 5.09 0.00 3.86 3.63 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 35 I 8.68 5.05 1.78 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 1.26 0.65 0.94 0.00 0.00 36 K 8.77 4.77 0.00 1.77 1.87 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.34 7.81 37 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 38 L 7.77 4.50 0.00 1.81 1.44 0.80 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.18 4.36 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 40 E 8.60 4.10 0.00 1.95 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 2.30 2.37 0.00 41 G 8.85 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 42 L 8.16 4.82 0.00 1.52 1.59 0.92 0.93 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 43 H 9.17 5.00 0.00 3.01 3.29 0.00 5.64 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 44 G 9.31 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 0.00 0.00 0.00 45 F 9.12 5.57 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.90 5.36 0.00 3.09 2.92 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.81 4.59 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 0.92 0.00 0.00 0.86 0.00 0.00 48 H 9.42 5.16 0.00 3.08 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.97 3.76 0.00 1.80 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 1.47 2.08 0.00 50 F 8.23 4.92 0.00 3.16 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 51 G 8.35 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 0.00 0.00 0.00 0.00 52 D 7.86 4.72 0.00 2.64 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 53 N 8.57 5.04 0.00 2.70 2.75 0.00 0.00 7.26 7.70 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 54 T 8.69 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 1.24 0.00 0.00 55 A 7.97 4.75 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.02 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 0.00 0.00 0.00 57 C 8.69 4.34 0.00 2.99 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 58 T 7.83 3.76 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 1.23 0.00 0.00 59 S 7.95 4.52 0.00 4.09 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 60 A 7.40 4.30 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 61 G 7.44 4.32 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 0.00 0.00 0.00 62 P 0.00 4.71 0.00 2.09 2.23 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 63 H 8.47 4.50 0.00 2.92 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.00 4.26 0.00 2.88 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 65 N 8.31 4.88 0.00 2.63 2.48 0.00 0.00 6.92 7.71 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 66 P 0.00 4.05 0.00 2.09 1.98 0.00 3.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.27 0.00 67 L 6.85 3.16 0.00 1.81 1.66 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 *79 R 8.22 4.09 0.00 1.82 1.89 0.00 3.24 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 80 S 8.18 4.23 0.00 4.06 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 81 V 8.00 3.48 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.56 0.00 0.00 82 G 8.16 3.79 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 0.00 0.00 0.00 83 S 7.71 4.78 0.00 3.88 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 84 L 8.70 4.35 0.00 1.92 1.88 0.71 1.01 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 85 G 8.70 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 86 N 8.53 5.67 0.00 2.60 2.71 0.00 0.00 6.64 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 87 V 8.42 4.30 1.76 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 -0.34 0.00 0.00 0.70 0.00 0.00 88 T 8.19 4.89 4.21 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 1.20 0.00 0.00 89 A 9.05 4.87 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 90 D 8.94 4.81 0.00 2.89 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 91 K 8.44 4.12 0.00 1.88 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.64 4.44 0.00 2.80 2.74 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 93 G 8.87 4.38 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 0.00 94 V 7.77 4.71 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 1.08 0.00 0.00 0.92 0.00 0.00 95 A 9.11 5.44 1.13 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 96 D 8.67 4.92 0.00 2.55 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 97 V 8.86 4.16 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 0.82 0.00 0.00 0.58 0.00 0.00 98 S 8.41 5.00 0.00 3.92 3.73 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 99 I 9.60 4.86 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 1.01 0.00 0.00 100 E 8.84 5.14 0.00 1.97 1.83 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 2.21 2.32 0.00 101 D 9.23 4.95 0.00 2.81 2.53 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 0.00 102 S 8.87 4.73 0.00 3.90 3.86 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 0.00 0.00 0.00 103 V 8.07 4.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 104 I 7.92 4.15 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 1.02 0.00 0.00 105 S 8.62 4.66 0.00 3.91 3.88 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 0.00 106 L 8.95 4.44 0.00 1.85 1.61 1.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.77 4.48 0.00 3.86 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 0.00 108 G 8.55 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 0.00 0.00 0.00 109 D 8.74 4.49 0.00 2.75 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 H 8.16 5.02 0.00 3.23 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.87 4.54 0.00 3.84 3.71 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 0.00 112 I 8.11 3.83 1.58 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.14 0.92 0.00 0.00 113 I 7.14 3.68 1.76 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 1.10 0.72 0.82 0.00 0.00 114 G 9.43 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 0.00 0.00 0.00 115 R 7.32 5.05 0.00 1.63 1.85 0.00 2.21 0.00 0.00 2.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.20 0.00 116 T 8.05 4.95 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 1.19 0.00 0.00 117 L 8.89 4.70 0.00 1.76 1.54 0.48 0.67 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 0.00 118 V 8.83 4.98 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 0.70 0.00 0.00 0.81 0.00 0.00 119 V 8.61 5.04 2.29 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 0.86 0.00 0.00 0.96 0.00 0.00 120 H 9.22 5.08 0.00 3.26 3.59 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.03 4.19 0.00 2.04 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 2.37 2.34 0.00 122 K 8.53 4.71 0.00 1.74 1.70 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.47 7.81 123 A 8.37 4.57 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 0.00 124 D 9.46 4.65 0.00 2.71 2.74 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 0.00 125 D 8.76 4.54 0.00 2.95 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 0.00 126 L 9.63 3.52 0.00 1.78 1.79 0.95 0.91 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 0.00 127 G 9.11 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.91 4.65 0.00 1.67 1.77 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.38 7.81 129 G 7.66 3.76 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 0.00 0.00 0.00 130 G 8.03 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 0.00 0.00 0.00 131 N 7.56 4.17 0.00 2.69 2.80 0.00 0.00 6.96 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 *140 A 7.31 4.27 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 0.00 141 G 8.20 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 0.00 142 S 8.25 4.38 0.00 3.98 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 0.00 143 R 8.38 4.50 0.00 1.68 1.86 0.00 3.31 0.00 0.00 3.13 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 144 L 8.57 4.26 0.00 1.66 1.71 0.96 0.90 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 0.00 145 A 7.78 5.16 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 0.00 146 C 9.20 5.34 0.00 3.02 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 0.00 147 G 8.75 4.62 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 0.00 148 V 8.36 4.25 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 0.76 0.00 0.00 0.98 0.00 0.00 149 I 9.17 4.22 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.36 0.34 0.00 0.00 150 G 8.70 4.38 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 0.00 151 I 8.34 4.35 1.85 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 1.25 0.53 0.91 0.00 0.00 152 A 8.43 4.81 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 0.00 153 Q 8.49 4.08 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.