NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6148 8.3493 120.3045 52.7795 41.3002 175.2088 7 L 4.4695 7.3898 120.0871 55.0383 39.7714 175.2583 8 G 3.7768 8.0376 107.8660 47.4193 0.0000 176.2516 9 G 4.0139 9.5535 109.9044 45.8401 0.0000 173.0722 10 N 5.5145 7.7060 116.2424 51.3656 41.9346 173.8418 11 I 5.1945 8.7070 121.4412 59.5406 41.3905 174.2856 12 L 5.2425 8.5410 126.4118 53.5591 45.2529 175.4095 13 L 4.4819 9.1748 127.6343 53.2417 40.3280 175.4333 14 L 4.8276 8.2530 130.3675 53.9132 40.4427 175.2656 15 S 5.1048 8.2534 118.6126 55.8359 64.8967 173.2664 16 G 4.1974 7.9209 111.9823 44.2727 0.0000 171.8311 17 H 3.7704 7.0325 115.4965 53.5088 29.2600 173.3466 18 P 4.3330 0.0000 0.0000 64.0878 31.4487 175.9200 19 G 3.9805 8.9193 110.7738 45.8116 0.0000 175.1001 20 S 4.0931 7.6323 113.0999 58.6677 63.4176 174.1392 21 G 3.7451 7.6155 109.1368 46.9634 0.0000 176.2795 22 K 3.8602 8.1073 120.9815 59.3958 32.0120 178.1822 23 S 4.3185 7.8728 114.2657 61.0452 62.5867 175.7933 24 T 3.7781 7.8708 117.6331 67.1232 68.1609 176.4697 25 I 3.7693 7.8445 121.0679 63.8209 36.9885 178.4443 26 A 3.9115 7.7502 121.8534 54.8784 18.3002 178.9607 27 E 3.5768 8.4594 117.9646 59.5697 29.4791 178.9043 28 A 3.9302 7.5361 118.9495 55.1589 18.5788 179.0367 29 L 4.0637 7.7004 118.5026 57.8090 41.9148 178.8697 30 A 4.0528 7.8796 120.4484 54.5915 18.5292 178.4139 31 N 4.5768 8.1744 112.6154 52.8558 39.1322 175.3198 32 L 4.0791 7.0050 124.2237 53.8923 42.6889 174.8686 33 P 4.5756 0.0000 0.0000 62.5246 33.2019 176.8574 34 G 4.1497 8.2526 104.9015 44.7143 0.0000 177.7102 35 V 4.0029 8.3948 116.1421 59.1621 32.4066 173.5754 36 P 4.3996 0.0000 0.0000 63.5470 31.9294 175.8008 37 K 5.2404 8.6738 123.7156 54.9149 35.4765 175.9132 38 V 4.1033 7.8552 119.3473 61.2437 34.6990 172.7793 39 H 4.7592 8.8121 126.3973 54.7965 30.1543 174.2388 40 F 4.6821 9.2200 130.7891 57.4055 39.9513 174.0983 41 H 4.4955 8.6808 128.1110 54.3019 27.7788 174.7656 42 S 3.3414 7.3102 122.9583 60.4666 62.6953 175.8398 43 D 4.5413 7.6363 120.5260 56.3591 41.1562 176.9408 44 D 3.9843 8.0965 119.2239 56.2570 40.4554 178.2223 45 L 3.7583 7.3272 120.0722 56.9655 41.9538 178.5839 46 W 4.5874 7.6778 115.7096 58.3069 28.5317 178.6130 47 G 2.8548 6.2208 105.6665 47.3337 0.0000 174.9356 48 Y 4.4777 7.1960 117.8002 59.5965 38.2671 176.1198 49 I 4.1808 7.1402 120.0400 60.0167 38.9009 175.0150 50 K 4.4345 7.9742 125.2006 56.3299 35.2478 172.2211 51 H 3.8413 9.3460 127.1728 58.5904 27.1672 173.7043 52 G 3.9457 8.8353 113.4948 45.2114 0.0000 172.6772 53 R 3.7398 7.9053 119.2524 58.6344 29.9626 174.5316 54 I 2.9962 7.6644 129.9377 60.4779 34.3557 173.1404 55 D 3.6282 8.0661 124.9146 53.7201 40.9572 176.2476 56 P 4.5917 0.0000 0.0000 63.0765 31.3589 177.5901 57 W 4.6611 7.1556 120.0399 58.1900 29.0999 176.2581 58 L 4.7863 6.8985 120.9806 54.5622 43.7880 170.8989 59 P 4.6679 0.0000 0.0000 63.9027 33.1187 177.0421 60 Q 4.0318 7.9023 114.5830 57.2706 28.2498 176.9868 61 S 4.3594 7.9642 114.4701 59.2378 62.1736 175.9794 62 H 4.5183 7.4791 119.4443 58.6719 28.8727 177.4317 63 Q 4.1148 7.9364 125.6081 58.8622 29.7758 177.7559 64 Q 4.0931 8.0733 118.3485 59.2853 29.4517 176.7766 65 N 4.3106 7.8544 114.2476 56.4207 38.6143 176.7893 66 R 3.8171 7.7442 115.0657 58.3981 30.7131 176.3863 *68 I 3.9166 7.5849 115.9151 61.7431 38.9829 177.4745 *70 Q 4.0495 8.1126 120.6017 56.1261 30.1102 177.1631 71 I 3.6841 7.2521 117.7389 63.7994 36.9655 177.7995 72 A 4.2698 8.2920 120.4795 55.8677 18.3146 179.7164 73 A 3.7548 7.4500 118.1695 54.7924 18.2307 179.4986 74 D 4.1786 8.4903 117.0991 57.6487 41.2853 178.3874 75 V 3.4676 7.9946 118.0462 66.0570 31.2848 177.6145 76 A 4.3284 8.3871 120.4817 55.2169 18.2432 179.7674 77 G 3.6507 7.9931 104.2819 47.9925 0.0000 175.6570 78 R 4.0608 7.6545 119.5818 59.4688 30.1564 178.3939 79 Y 4.2284 7.6394 115.6611 61.0062 37.8807 178.0852 80 A 4.2389 8.3774 121.7746 55.4263 18.2974 179.2394 81 K 3.8376 8.6173 117.5025 59.4063 32.6897 177.0611 82 E 4.2962 8.1371 117.3185 57.7909 29.5981 177.6643 83 G 3.8146 8.0354 103.9104 47.3255 0.0000 172.1030 84 Y 4.7198 7.8371 120.9690 56.9606 43.0069 173.4506 85 F 5.3692 8.9090 123.1443 56.6378 41.2829 174.3755 86 V 3.7634 8.8894 126.7250 62.6974 33.3243 175.3055 87 I 4.6217 8.0498 126.5948 60.0230 41.2230 173.9464 88 L 4.7238 8.8761 128.8386 53.6849 43.0423 176.2162 89 D 4.9349 8.6709 126.2047 51.7068 40.1230 174.9763 90 G 4.1095 7.8605 107.1489 44.7958 0.0000 170.2137 91 V 3.9685 8.4869 121.1369 62.7885 31.9631 176.5545 92 V 4.4064 8.5505 126.9873 61.3806 32.4496 174.4926 93 R 4.1671 8.4148 125.4751 54.6787 30.7206 176.2904 94 P 3.8038 0.0000 0.0000 65.0225 31.2747 178.2674 95 D 4.1373 7.9616 118.6896 57.0363 40.8965 177.1092 96 W 4.6304 8.1785 116.6889 56.6217 29.9147 177.9756 97 L 3.9947 7.6401 120.6612 57.4296 41.0562 177.7448 98 P 4.8736 0.0000 0.0000 64.1815 31.1388 177.0273 99 A 4.3060 8.3405 121.4588 53.0168 19.0719 178.2006 100 F 4.7180 8.8469 114.9125 58.0884 41.0507 177.7202 101 T 4.0565 8.0730 108.9479 64.4522 68.5870 175.9789 102 A 4.2188 7.4294 121.7071 53.7844 18.2547 177.6941 103 L 4.2035 7.8924 116.7887 54.2427 41.6858 177.1337 104 A 3.7069 7.7173 120.4652 53.0236 16.7183 177.0443 105 R 4.7067 7.4997 118.4116 54.8107 33.6091 172.7713 106 P 4.7665 0.0000 0.0000 62.4822 32.2861 174.8047 107 L 5.4859 8.6313 124.9101 54.2559 43.1809 175.3198 108 H 5.8105 9.6507 119.7426 54.0360 30.8543 173.1285 109 Y 5.3365 8.9545 124.4098 56.1195 40.7895 174.7827 110 I 4.7058 8.5847 126.9254 59.7669 41.5076 174.1836 111 V 4.6055 8.6547 128.1952 61.3783 33.0070 174.6227 112 L 5.0085 9.0855 128.6627 53.8450 43.7061 175.7333 113 R 5.1369 8.5302 122.4689 55.1884 33.8507 173.7896 114 T 5.3810 8.5347 113.4653 60.4649 72.1924 173.2119 115 T 3.8920 8.8618 118.4210 64.1604 69.1825 175.6132 116 A 3.6545 8.5604 125.4765 54.9544 18.4423 180.1184 117 A 3.9290 7.8678 119.1591 55.1237 18.5482 179.5487 118 E 4.0672 7.9729 116.6716 59.3765 29.5577 179.1693 119 A 3.9696 8.1635 121.0338 55.2036 18.4858 179.8039 120 I 3.6642 8.0012 118.6563 64.3636 35.5331 178.0637 121 E 3.8558 8.1236 120.2654 59.1230 29.3008 178.4737 122 R 3.9524 7.8896 118.1339 60.0446 30.2592 178.0509 123 C 4.3028 7.6972 113.8849 62.0254 28.2459 174.7951 124 L 3.9236 7.5719 121.3358 58.1240 42.8871 177.6128 125 D 4.7146 7.5140 119.5900 53.1073 39.5761 175.7007 126 R 4.4152 7.6853 119.4650 56.3722 34.4213 177.9667 127 G 3.8771 8.6925 104.5461 45.1536 0.0000 178.3582 128 G 3.9464 9.5771 113.3371 46.2253 0.0000 173.4325 129 D 4.7814 9.0583 118.0693 53.8710 44.4846 174.8893 130 S 4.8006 7.5035 114.9575 58.8742 64.3227 173.0550 131 L 4.3025 8.6763 123.9071 56.0199 41.3744 175.0653 132 S 4.5293 8.2935 117.9037 59.5117 65.9649 174.1594 133 D 4.3399 8.0656 118.5567 54.4248 41.9205 175.8153 134 P 4.3188 0.0000 0.0000 65.3198 31.2663 178.3041 135 L 3.8750 7.7517 120.4137 58.0444 42.0429 178.9436 136 V 3.3039 7.5536 117.6105 66.0446 31.7317 177.8629 137 V 3.4451 7.4526 117.2477 65.8634 31.2489 177.9222 138 A 3.9537 7.9862 120.4261 55.0183 18.4390 179.0087 139 D 4.2120 8.4486 116.8610 57.6852 41.3634 178.4569 140 L 3.9683 8.3003 119.6431 57.9286 41.2705 179.1685 141 H 4.1327 7.7839 117.2965 59.1932 29.9294 176.9639 142 S 4.1735 7.8470 114.6645 61.6979 62.9191 176.1682 143 Q 4.1683 7.9230 121.2860 58.4833 28.2722 178.5846 144 F 4.0365 7.8823 115.8057 59.2234 39.0873 176.0698 145 A 4.4502 8.0421 120.9245 53.0050 18.6114 177.1816 146 D 4.6420 7.8089 116.3994 53.0677 41.2593 174.8710 147 L 4.5930 9.1385 127.1147 53.9293 43.0010 178.7923 148 G 4.2579 8.0824 112.7662 47.2727 0.0000 174.7114 149 A 4.5075 8.9497 125.2865 51.8393 18.6846 177.9115 150 F 4.8098 8.5215 116.0640 58.4260 39.7039 177.6513 151 E 4.0297 8.3798 123.3561 59.8551 29.2976 178.5055 152 H 4.3127 8.4087 110.4051 57.4434 28.4171 174.9087 153 H 4.7637 8.5479 117.5417 55.6681 29.8720 174.0389 154 V 4.7630 8.3206 119.0870 60.0480 33.4162 175.5581 155 L 4.7919 9.0646 125.9516 52.4800 44.1132 173.2597 156 P 4.7469 0.0000 0.0000 62.3089 32.3379 176.7028 157 V 4.5266 8.1614 117.3516 61.6689 32.6096 177.9395 158 S 4.3099 8.6117 117.8459 61.9756 63.0444 177.4051 159 G 3.8374 7.9587 105.1926 45.6426 0.0000 172.8675 160 K 4.6650 7.9771 118.0404 54.3381 36.2562 175.2541 161 D 5.0423 8.0575 119.5636 51.5694 42.1190 176.2073 162 T 3.7681 8.6698 112.7840 65.2714 66.9699 174.5380 163 D 4.7159 8.0595 116.4909 53.2300 40.0739 176.2579 164 Q 4.2300 8.4757 120.5793 56.6862 29.6431 175.0038 165 A 4.6073 7.3770 120.5700 52.2514 18.6207 177.4085 166 L 4.5734 7.0272 120.6955 56.2492 48.3597 178.3688 167 Q 3.8343 8.0290 118.8218 59.8058 29.2680 178.8659 168 S 4.7271 7.9397 108.8048 58.2262 63.9135 173.7493 169 A 4.7314 6.9241 122.6491 51.9216 19.1144 178.2814 170 I 3.4890 8.7804 112.8657 66.9777 36.2771 177.1389 171 N 4.2523 8.3392 118.2492 55.9758 38.3253 177.3151 172 A 4.0613 7.6476 120.5697 54.8311 18.5081 179.8100 173 L 3.9425 7.7328 117.7602 58.0641 41.4023 179.3079 174 Q 3.9805 7.8321 116.7485 59.4453 28.9284 179.2753 175 S 4.5197 7.8919 114.8591 60.8807 62.8299 176.6111 176 G 3.9987 8.4585 104.4885 44.8336 0.0000 173.3136 177 R 3.9862 8.0531 117.7923 56.7207 28.3683 177.4605 178 F 3.9635 7.8743 121.5692 60.8300 39.4910 175.2148 179 R 4.7702 7.5601 118.0745 55.7453 31.1670 173.7079 180 I 3.4586 7.6284 124.4333 63.1647 38.5926 175.4373 181 D 4.3665 7.7752 122.6372 54.6145 41.0864 174.3063 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 6 D 8.35 4.61 0.00 2.78 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 7 L 7.39 4.47 0.00 1.49 1.46 -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.04 3.78 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 0.00 0.00 0.00 9 G 9.55 4.01 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 0.00 0.00 0.00 10 N 7.71 5.51 0.00 3.06 2.90 0.00 0.00 6.79 7.24 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 11 I 8.71 5.19 2.04 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 1.30 0.86 1.05 0.00 0.00 12 L 8.54 5.24 0.00 1.98 1.52 1.14 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 13 L 9.17 4.48 0.00 1.84 1.85 0.37 -0.34 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 14 L 8.25 4.83 0.00 1.69 1.62 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.25 5.10 0.00 4.25 3.94 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 0.00 0.00 0.00 0.00 16 G 7.92 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 17 H 7.03 3.77 0.00 3.22 3.18 0.00 5.28 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.33 0.00 2.14 2.08 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 19 G 8.92 3.98 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 0.00 0.00 0.00 20 S 7.63 4.09 0.00 3.86 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.62 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 22 K 8.11 3.86 0.00 1.89 1.95 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.37 7.81 23 S 7.87 4.32 0.00 4.07 3.82 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 24 T 7.87 3.78 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 1.18 0.00 0.00 25 I 7.84 3.77 1.81 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 1.16 0.86 0.00 0.00 26 A 7.75 3.91 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 27 E 8.46 3.58 0.00 1.80 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 2.26 2.32 0.00 28 A 7.54 3.93 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 29 L 7.70 4.06 0.00 1.95 1.76 0.97 1.24 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 30 A 7.88 4.05 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 31 N 8.17 4.58 0.00 2.68 2.87 0.00 0.00 6.97 8.43 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 32 L 7.01 4.08 0.00 1.82 1.62 0.98 0.97 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 33 P 0.00 4.58 0.00 2.23 2.08 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 34 G 8.25 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 35 V 8.39 4.00 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 0.75 0.00 0.00 0.98 0.00 0.00 36 P 0.00 4.40 0.00 1.99 2.15 0.00 3.59 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 37 K 8.67 5.24 0.00 1.91 1.77 0.00 2.14 0.00 0.00 2.07 0.00 0.00 3.08 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.70 1.81 7.81 38 V 7.86 4.10 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 0.24 0.00 0.00 0.25 0.00 0.00 39 H 8.81 4.76 0.00 3.08 3.27 0.00 5.91 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.22 4.68 0.00 2.87 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.68 4.50 0.00 3.07 3.31 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.31 3.34 0.00 3.67 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 43 D 7.64 4.54 0.00 2.65 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 44 D 8.10 3.98 0.00 2.51 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 0.00 0.00 0.00 45 L 7.33 3.76 0.00 1.71 1.71 1.02 0.99 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 46 W 7.68 4.59 0.00 3.56 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 47 G 6.22 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 0.00 0.00 0.00 48 Y 7.20 4.48 0.00 3.03 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 49 I 7.14 4.18 1.93 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 1.41 0.70 1.10 0.00 0.00 50 K 7.97 4.43 0.00 1.86 1.73 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.42 7.81 51 H 9.35 3.84 0.00 3.28 3.47 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.84 3.95 0.00 0.00 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0.00 2.36 2.55 0.00 71 I 7.25 3.68 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.59 0.98 0.00 0.00 72 A 8.29 4.27 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 73 A 7.45 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.49 4.18 0.00 2.74 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 75 V 7.99 3.47 2.37 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 0.52 0.00 0.00 1.02 0.00 0.00 76 A 8.39 4.33 1.72 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 0.00 0.00 77 G 7.99 3.65 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 0.00 0.00 0.00 78 R 7.65 4.06 0.00 1.69 1.73 0.00 3.20 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 79 Y 7.64 4.23 0.00 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0.00 0.00 0.00 129 D 9.06 4.78 0.00 2.57 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 0.00 130 S 7.50 4.80 0.00 4.04 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 0.00 131 L 8.68 4.30 0.00 1.67 1.61 0.65 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.29 4.53 0.00 3.87 3.84 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 0.00 133 D 8.07 4.34 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.28 2.28 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 135 L 7.75 3.87 0.00 1.77 1.82 0.90 0.70 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 0.00 136 V 7.55 3.30 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 0.23 0.00 0.00 0.86 0.00 0.00 137 V 7.45 3.45 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 0.94 0.00 0.00 0.96 0.00 0.00 138 A 7.99 3.95 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 0.00 139 D 8.45 4.21 0.00 2.74 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 0.00 140 L 8.30 3.97 0.00 1.50 1.60 -0.10 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.78 4.13 0.00 3.17 3.45 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 7.85 4.17 0.00 4.04 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 0.00 143 Q 7.92 4.17 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 144 F 7.88 4.04 0.00 3.22 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 0.00 145 A 8.04 4.45 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 0.00 146 D 7.81 4.64 0.00 2.62 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 0.00 147 L 9.14 4.59 0.00 1.99 1.79 0.90 0.63 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 0.00 148 G 8.08 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 0.00 0.00 0.00 0.00 149 A 8.95 4.51 1.11 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 0.00 150 F 8.52 4.81 0.00 3.43 3.16 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 0.00 151 E 8.38 4.03 0.00 2.04 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 2.58 2.29 0.00 152 H 8.41 4.31 0.00 3.14 3.34 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.55 4.76 0.00 3.59 3.22 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 V 8.32 4.76 2.16 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 0.81 0.00 0.00 1.06 0.00 0.00 155 L 9.06 4.79 0.00 1.67 1.52 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.75 0.00 2.14 2.07 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 157 V 8.16 4.53 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 0.74 0.00 0.00 0.91 0.00 0.00 158 S 8.61 4.31 0.00 3.89 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 0.00 159 G 7.96 3.84 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 0.00 0.00 0.00 160 K 7.98 4.66 0.00 1.69 1.65 0.00 1.66 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.34 7.81 161 D 8.06 5.04 0.00 2.81 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 0.00 162 T 8.67 3.77 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 163 D 8.06 4.72 0.00 2.80 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 0.00 164 Q 8.48 4.23 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.55 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 165 A 7.38 4.61 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 0.00 166 L 7.03 4.57 0.00 1.69 1.74 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 167 Q 8.03 3.83 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 168 S 7.94 4.73 0.00 3.87 3.83 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 0.00 169 A 6.92 4.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 8.78 3.49 1.79 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 1.83 0.67 0.81 0.00 0.00 171 N 8.34 4.25 0.00 2.98 2.90 0.00 0.00 6.96 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 A 7.65 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.73 3.94 0.00 1.40 0.59 -0.25 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 7.83 3.98 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 175 S 7.89 4.52 0.00 3.90 3.90 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 0.00 176 G 8.46 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 0.00 177 R 8.05 3.99 0.00 2.01 2.06 0.00 3.24 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 178 F 7.87 3.96 0.00 3.14 3.24 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 0.00 179 R 7.56 4.77 0.00 1.95 1.97 0.00 3.71 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 180 I 7.63 3.46 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.93 0.00 0.00 181 D 7.78 4.37 0.00 2.64 2.48 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 * Residues marked with a * may have inaccurate shift predictions.