NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.4203 8.2393 119.0404 55.9850 31.3318 174.2525 5 S 5.0469 8.6651 114.9618 56.2882 66.1432 171.1919 6 A 5.7093 9.0910 122.4128 52.0808 22.5564 176.7853 7 R 4.7635 8.4577 116.8559 54.4740 35.2407 174.4263 8 I 4.9409 8.2394 121.1364 59.5820 40.8959 174.4473 9 V 4.6859 8.8118 127.7678 61.1603 33.8467 174.5215 10 V 4.3455 8.7924 130.2116 61.7533 32.7175 175.0894 11 V 4.6346 8.8366 130.1751 61.7577 32.0191 174.8911 12 S 4.6238 9.0721 123.7667 56.3543 64.5869 175.0993 13 S 4.3516 8.9303 122.8595 61.1195 62.9890 175.6243 14 R 3.9217 8.2169 118.0330 59.2787 29.8003 176.8378 15 A 4.0975 7.5537 121.1147 52.3807 16.1571 176.2083 *21 T 3.9825 7.7845 109.7948 61.5177 70.2867 174.2843 22 D 4.5948 8.3189 123.1292 53.4869 41.0415 176.4941 23 D 4.4985 8.5639 127.5511 56.9098 41.8407 178.6091 24 C 4.3733 8.2235 116.7548 62.1901 28.2408 175.6803 25 G 4.4243 8.8053 109.2302 47.0481 0.0000 173.9624 26 P 4.2935 0.0000 0.0000 64.8144 31.3594 178.8826 27 I 3.7377 7.7044 118.4176 64.5389 37.1466 178.3611 28 I 3.7377 7.8680 120.3980 64.1773 36.8660 178.3973 29 A 4.1401 8.3846 122.0258 55.1218 18.2282 179.9040 30 G 3.6192 8.5009 104.6486 47.6604 0.0000 175.6393 31 W 4.1750 8.3897 130.8352 60.2976 30.7104 178.0466 32 L 4.0512 8.3986 118.9075 57.8459 40.9021 179.3315 33 E 4.3746 8.2022 119.8516 59.1643 29.2261 179.3977 34 Q 3.9947 7.8930 116.7297 58.5303 28.6636 177.7891 35 H 4.5647 7.5402 114.8611 55.1479 29.1227 175.4132 36 G 3.7869 8.0190 107.9100 45.5281 0.0000 173.8856 37 F 4.8629 8.5334 118.2585 56.0714 42.7379 178.0937 38 S 4.3992 8.9958 119.8870 56.8620 58.6592 171.0220 39 S 3.8537 9.1943 112.7528 57.3484 60.1303 169.0190 40 V 4.3832 7.9710 123.8426 60.5983 33.4424 174.8511 41 Q 4.4260 8.5016 126.0617 54.0744 29.6562 173.8527 42 P 4.5559 0.0000 0.0000 62.8021 32.4590 175.7665 43 Q 4.4959 9.1752 123.5219 54.4339 30.5403 174.6900 44 V 4.6445 8.3336 124.8573 61.7660 32.7866 175.3968 45 V 4.6713 9.0669 120.1237 59.3657 36.2661 174.9700 46 A 4.7046 8.5154 124.1630 51.5649 19.0742 177.1660 47 D 4.3065 8.5493 118.8926 54.6645 42.3012 177.0659 48 G 4.1586 8.8455 106.0378 44.4534 0.0000 175.6504 49 N 4.2688 9.1272 119.0940 56.1509 38.4196 174.8195 50 P 4.2390 0.0000 0.0000 65.2251 31.2801 178.9310 51 V 3.6175 7.8228 117.5570 65.8280 31.4133 177.9483 52 G 3.9161 8.1238 105.0574 48.3013 0.0000 175.2042 53 E 3.9831 8.4181 121.0411 58.8889 29.4575 179.4058 54 A 4.0222 7.9657 120.5735 54.9556 18.3895 179.6457 55 L 3.9024 8.1202 117.6379 58.3277 41.6644 179.5208 56 H 4.0392 8.4364 116.1659 58.8297 28.6685 177.3422 57 D 4.2986 8.2357 119.5591 57.3221 40.5332 178.2169 58 A 3.9799 8.0101 121.2307 55.0886 18.3917 179.6736 59 V 3.5311 8.0864 117.1489 66.3212 31.3705 177.8106 60 N 4.2960 8.1740 114.7822 56.4464 38.5357 176.8985 61 A 4.2007 8.1128 120.1429 52.4606 18.5423 177.5285 62 G 3.8715 7.8771 105.1116 46.4480 0.0000 174.8782 63 V 3.9021 7.2359 111.0622 60.9569 32.4929 176.6865 64 D 4.6300 8.9485 122.9607 57.0875 41.8288 176.7769 65 V 4.9509 8.1078 116.7974 61.0674 35.4685 174.1661 66 I 5.0400 9.0739 127.3549 59.5517 40.4625 174.3005 67 I 4.9053 8.5693 127.8392 59.6959 39.6935 174.9039 68 T 5.1170 8.6625 117.2088 60.1709 71.7540 173.3907 69 S 4.8377 8.9976 117.3223 58.0624 65.5640 174.4146 70 G 3.7500 8.7755 112.9809 46.5154 0.0000 173.0256 71 G 4.0918 8.9372 104.4444 46.5895 0.0000 175.0446 72 T 4.4344 7.7110 108.3842 61.1726 70.2991 175.2559 73 G 4.1373 7.7503 116.3956 46.7973 0.0000 174.5317 74 I 4.4301 8.1952 119.7955 60.3969 38.3153 175.9989 75 S 4.3921 8.5600 116.6582 57.6293 63.4881 173.2836 76 P 4.2560 0.0000 0.0000 65.3317 31.0522 177.4812 77 T 4.4209 7.3802 104.5163 61.3436 69.1386 175.0414 78 D 4.6477 8.0578 124.6604 53.8472 39.4846 176.1784 79 T 5.2184 7.8078 112.6381 60.3238 69.5414 176.9771 80 T 3.8629 8.1780 121.8052 67.0836 68.3499 174.5572 81 P 4.3324 0.0000 0.0000 65.3661 31.2587 178.4001 82 E 3.9221 8.1618 116.9684 60.0142 29.2744 179.1186 83 H 4.1392 8.1809 114.4782 58.8867 28.9339 177.9912 84 T 3.9977 8.0421 117.8109 66.7478 68.0478 176.9647 85 V 3.5770 8.4016 120.1798 65.9804 31.2255 177.7229 86 A 3.9862 7.9473 119.7763 54.9929 18.2514 179.3155 87 V 3.8772 7.5556 109.0024 61.7976 32.4663 177.0761 88 L 4.1071 6.8420 118.0956 54.6850 42.1850 177.0834 89 D 4.5353 8.7381 123.3155 57.1631 41.2857 176.4425 90 Y 4.8780 6.8610 114.4042 55.9126 40.6530 174.0597 91 V 4.6112 8.2519 114.1299 60.5511 33.2154 176.6209 92 I 4.5231 8.5119 123.6326 58.2553 37.1918 174.6540 93 P 4.3691 0.0000 0.0000 65.6768 31.2140 178.6143 94 G 3.6424 8.1331 104.9872 47.4722 0.0000 175.2836 95 L 3.9353 7.7536 122.1329 57.8147 42.1850 178.7852 96 A 3.9616 7.9616 120.2483 55.4304 18.3226 179.1742 97 D 4.3050 8.3365 117.1794 57.4672 40.9800 178.9643 98 A 3.9989 8.2333 121.5264 55.0518 18.1303 179.7462 99 I 3.6408 7.7414 117.7189 64.6794 37.2553 178.6076 100 R 4.0605 7.8780 117.7538 59.0236 30.0003 178.6329 101 R 4.2155 7.9037 115.7699 56.2290 30.6653 177.1875 102 S 4.2402 7.0030 113.6268 59.1383 63.8358 172.9291 103 G 4.7169 8.9669 113.1683 47.6146 0.0000 174.6253 104 L 4.0049 7.4750 117.6339 53.5557 41.3567 176.3387 *108 P 4.1308 0.0000 0.0000 63.2837 32.1740 176.5884 109 T 3.7423 8.4934 112.4403 65.9231 68.3026 171.6129 110 S 4.4651 9.6744 124.1948 58.7957 62.9099 177.4335 111 V 3.2787 6.5244 114.6603 63.7614 31.7975 176.5538 112 L 4.2754 7.8432 117.0721 55.1832 42.1685 176.1014 113 S 4.4070 7.7006 114.5976 58.2136 62.5542 173.8418 114 R 4.5977 8.7554 127.7599 55.8662 30.3428 176.7735 115 G 3.8348 7.4896 104.5229 46.6978 0.0000 174.0060 116 V 4.7557 8.3157 114.3905 59.4722 36.0275 174.1019 117 C 5.2496 8.3040 117.8489 58.3005 33.0066 173.7920 118 G 3.8831 7.8209 106.4949 46.4960 0.0000 171.5996 119 V 4.7988 7.3057 118.8311 60.7567 34.5752 174.9501 120 A 4.6447 9.0660 130.5334 51.2585 21.1766 177.2920 121 G 3.9276 9.2905 116.1129 47.7491 0.0000 173.4610 122 R 4.5520 8.9638 119.6996 55.7169 30.7698 174.6188 123 T 4.8067 7.7447 116.2035 61.8339 70.7894 173.4438 124 L 4.7447 8.7897 129.3418 54.3891 43.7311 175.1899 125 I 4.9878 8.9422 127.2474 59.5280 40.3697 174.5123 126 I 4.7104 8.7006 127.3705 59.4969 40.2284 174.2479 127 N 5.3020 8.7262 125.2624 51.7986 39.4278 174.7981 128 L 4.8981 8.6723 123.9373 51.7452 45.1658 174.4733 129 P 4.5466 0.0000 0.0000 62.4522 32.2219 175.5317 130 G 4.0629 8.3016 107.4582 46.6254 0.0000 174.4572 131 S 4.7628 7.6018 113.1926 55.0351 67.4251 171.8724 132 P 4.3017 0.0000 0.0000 65.7069 31.0922 179.3764 133 G 3.6409 8.0627 104.4052 47.6400 0.0000 175.9319 134 G 3.5922 7.9443 107.8374 47.3623 0.0000 176.0217 135 V 3.4565 8.0581 120.9371 65.6317 31.5801 177.7528 136 R 3.7739 8.0776 118.7481 59.7956 29.9748 178.1356 137 D 4.3846 8.1031 118.3436 57.1907 40.8714 178.6851 138 G 3.6610 7.9655 106.2035 48.1418 0.0000 175.4975 139 L 3.3721 8.1347 122.4311 56.9774 41.2050 179.9687 140 G 3.7136 7.8204 104.8584 47.5849 0.0000 175.7325 141 V 3.7385 7.6441 120.0535 65.9342 31.6737 177.8112 142 L 3.9830 7.9199 119.7856 58.2666 41.5342 178.7957 143 A 4.3816 8.1506 119.9750 55.0329 18.4499 178.5762 144 D 4.6778 8.0325 114.9728 55.3899 41.4992 177.4123 145 V 4.4866 7.4362 110.4135 60.1889 34.1372 177.3081 146 L 4.0427 8.4072 122.3772 58.2049 41.9454 178.2641 147 D 4.4105 8.2326 118.3892 57.8483 40.7476 178.3037 148 H 4.1921 8.2885 117.7841 59.1275 29.9533 176.8047 149 A 4.0038 8.3407 122.8724 55.4014 17.8028 179.6991 150 L 3.9984 8.2681 117.5766 57.7074 41.4424 179.3050 151 E 3.9476 8.1029 118.5902 59.4679 29.6695 178.6789 152 Q 4.1095 8.1528 117.3013 58.9781 28.8530 178.3262 153 I 3.8529 7.8147 119.7919 63.9819 37.1660 176.5373 154 A 4.3407 7.5604 124.7961 52.2961 18.6357 176.8841 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 4 R 8.24 4.42 0.00 1.85 1.79 0.00 3.17 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 5 S 8.67 5.05 0.00 3.92 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 6 A 9.09 5.71 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 7 R 8.46 4.76 0.00 1.68 1.93 0.00 3.24 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 8 I 8.24 4.94 1.86 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 1.19 0.69 0.88 0.00 0.00 9 V 8.81 4.69 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 0.99 0.00 0.00 0.91 0.00 0.00 10 V 8.79 4.35 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 0.70 0.00 0.00 0.92 0.00 0.00 11 V 8.84 4.63 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 0.79 0.00 0.00 0.90 0.00 0.00 12 S 9.07 4.62 0.00 3.83 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 13 S 8.93 4.35 0.00 3.89 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 14 R 8.22 3.92 0.00 1.78 2.01 0.00 3.37 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 15 A 7.55 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.98 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 1.21 0.00 0.00 22 D 8.32 4.59 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 23 D 8.56 4.50 0.00 2.70 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 24 C 8.22 4.37 0.00 2.94 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 25 G 8.81 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 26 P 0.00 4.29 0.00 2.18 2.12 0.00 3.67 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 27 I 7.70 3.74 2.03 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 1.66 0.86 0.91 0.00 0.00 28 I 7.87 3.74 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 0.84 0.00 0.00 29 A 8.38 4.14 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 30 G 8.50 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 31 W 8.39 4.18 0.00 3.50 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 32 L 8.40 4.05 0.00 1.98 1.66 0.81 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.20 4.37 0.00 2.19 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 2.40 2.51 0.00 34 Q 7.89 3.99 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.26 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 35 H 7.54 4.56 0.00 2.70 3.24 0.00 5.83 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.02 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 37 F 8.53 4.86 0.00 3.11 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 38 S 9.00 4.40 0.00 4.24 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 39 S 9.19 3.85 0.00 3.98 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 40 V 7.97 4.38 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 0.97 0.00 0.00 1.04 0.00 0.00 41 Q 8.50 4.43 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 42 P 0.00 4.56 0.00 1.93 1.97 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 43 Q 9.18 4.50 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 44 V 8.33 4.64 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 0.78 0.00 0.00 0.92 0.00 0.00 45 V 9.07 4.67 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 0.61 0.00 0.00 0.91 0.00 0.00 46 A 8.52 4.70 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 47 D 8.55 4.31 0.00 2.59 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.85 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 9.13 4.27 0.00 2.77 2.90 0.00 0.00 6.85 8.03 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 50 P 0.00 4.24 0.00 2.35 2.08 0.00 3.68 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 2.09 2.12 0.00 51 V 7.82 3.62 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 1.06 0.00 0.00 0.91 0.00 0.00 52 G 8.12 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 53 E 8.42 3.98 0.00 2.13 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 2.56 2.46 0.00 54 A 7.97 4.02 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 55 L 8.12 3.90 0.00 1.84 1.69 0.96 1.03 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 56 H 8.44 4.04 0.00 3.26 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.24 4.30 0.00 2.90 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 58 A 8.01 3.98 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 59 V 8.09 3.53 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 0.98 0.00 0.00 0.88 0.00 0.00 60 N 8.17 4.30 0.00 2.98 2.89 0.00 0.00 7.07 7.96 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 61 A 8.11 4.20 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 62 G 7.88 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 63 V 7.24 3.90 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 0.73 0.00 0.00 0.99 0.00 0.00 64 D 8.95 4.63 0.00 3.01 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 65 V 8.11 4.95 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 0.93 0.00 0.00 1.13 0.00 0.00 66 I 9.07 5.04 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 0.88 0.00 0.00 67 I 8.57 4.91 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.77 0.00 0.00 68 T 8.66 5.12 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 1.18 0.00 0.00 69 S 9.00 4.84 0.00 3.80 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 70 G 8.78 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 71 G 8.94 4.09 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 0.00 72 T 7.71 4.43 4.30 0.00 0.00 0.00 0.00 0.00 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 73 G 7.75 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 74 I 8.20 4.43 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 1.46 0.77 0.91 0.00 0.00 75 S 8.56 4.39 0.00 4.00 4.07 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 76 P 0.00 4.26 0.00 2.06 2.18 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 77 T 7.38 4.42 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 1.21 0.00 0.00 78 D 8.06 4.65 0.00 2.91 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 79 T 7.81 5.22 4.33 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 1.23 0.00 0.00 80 T 8.18 3.86 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 1.19 0.00 0.00 81 P 0.00 4.33 0.00 2.15 2.25 0.00 3.56 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 82 E 8.16 3.92 0.00 2.24 1.95 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 2.39 2.46 0.00 83 H 8.18 4.14 0.00 3.13 3.39 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.04 4.00 4.39 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 1.18 0.00 0.00 85 V 8.40 3.58 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 1.01 0.00 0.00 0.95 0.00 0.00 86 A 7.95 3.99 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 87 V 7.56 3.88 1.95 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 0.69 0.00 0.00 0.91 0.00 0.00 88 L 6.84 4.11 0.00 1.60 1.51 0.88 0.87 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 89 D 8.74 4.54 0.00 2.60 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 90 Y 6.86 4.88 0.00 3.13 3.02 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 91 V 8.25 4.61 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 0.76 0.00 0.00 0.98 0.00 0.00 92 I 8.51 4.52 1.91 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 1.51 1.00 0.96 0.00 0.00 93 P 0.00 4.37 0.00 2.27 2.33 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 94 G 8.13 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 95 L 7.75 3.94 0.00 1.78 1.82 0.93 0.91 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 96 A 7.96 3.96 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 97 D 8.34 4.30 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.23 4.00 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 99 I 7.74 3.64 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.85 0.00 0.00 100 R 7.88 4.06 0.00 1.94 1.98 0.00 3.15 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 101 R 7.90 4.22 0.00 1.86 1.97 0.00 3.16 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 102 S 7.00 4.24 0.00 3.99 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 0.00 103 G 8.97 4.72 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 0.00 104 L 7.47 4.00 0.00 1.68 1.51 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *108 P 0.00 4.13 0.00 2.05 2.04 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 109 T 8.49 3.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 110 S 9.67 4.47 0.00 3.95 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 0.00 111 V 6.52 3.28 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 0.74 0.00 0.00 0.92 0.00 0.00 112 L 7.84 4.28 0.00 1.69 1.68 0.91 0.83 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 0.00 113 S 7.70 4.41 0.00 3.85 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 0.00 114 R 8.76 4.60 0.00 1.85 1.90 0.00 3.22 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 115 G 7.49 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 0.00 0.00 0.00 116 V 8.32 4.76 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 0.84 0.00 0.00 0.92 0.00 0.00 117 C 8.30 5.25 0.00 2.81 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 0.00 118 G 7.82 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 0.00 0.00 0.00 119 V 7.31 4.80 1.08 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 0.84 0.00 0.00 120 A 9.07 4.64 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 0.00 121 G 9.29 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.96 4.55 0.00 1.78 1.92 0.00 3.19 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 123 T 7.74 4.81 4.33 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 1.24 0.00 0.00 124 L 8.79 4.74 0.00 1.78 1.71 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 125 I 8.94 4.99 1.82 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 1.18 0.49 0.87 0.00 0.00 126 I 8.70 4.71 1.78 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 1.19 0.93 0.82 0.00 0.00 127 N 8.73 5.30 0.00 2.73 2.72 0.00 0.00 6.79 7.31 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 0.00 128 L 8.67 4.90 0.00 1.60 1.44 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.55 0.00 2.03 2.03 0.00 3.69 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 1.82 1.94 0.00 130 G 8.30 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 0.00 0.00 0.00 131 S 7.60 4.76 0.00 3.98 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 0.00 132 P 0.00 4.30 0.00 2.16 2.13 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 133 G 8.06 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 0.00 134 G 7.94 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 0.00 135 V 8.06 3.46 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 0.76 0.00 0.00 0.95 0.00 0.00 136 R 8.08 3.77 0.00 1.95 2.07 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 137 D 8.10 4.38 0.00 2.70 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 0.00 138 G 7.97 3.66 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 0.00 0.00 0.00 139 L 8.13 3.37 0.00 1.29 0.23 0.52 -0.08 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 0.00 140 G 7.82 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 0.00 141 V 7.64 3.74 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 0.98 0.00 0.00 1.01 0.00 0.00 142 L 7.92 3.98 0.00 1.74 1.55 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.15 4.38 1.64 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 0.00 144 D 8.03 4.68 0.00 2.75 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 0.00 145 V 7.44 4.49 2.15 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 0.83 0.00 0.00 0.98 0.00 0.00 146 L 8.41 4.04 0.00 2.14 1.86 1.09 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.23 4.41 0.00 2.78 2.75 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 0.00 148 H 8.29 4.19 0.00 3.27 3.35 0.00 5.88 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 0.00 149 A 8.34 4.00 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 0.00 150 L 8.27 4.00 0.00 1.74 1.76 1.09 1.04 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 0.00 151 E 8.10 3.95 0.00 2.14 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 0.00 2.32 2.36 0.00 152 Q 8.15 4.11 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 153 I 7.81 3.85 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 1.50 0.57 0.96 0.00 0.00 154 A 7.56 4.34 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 * Residues marked with a * may have inaccurate shift predictions.