NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6967 8.4201 119.2044 53.4403 41.7563 176.3145 0 A 4.0371 8.1476 126.4887 51.7711 17.7591 177.5494 2 K 4.0419 9.0839 115.9182 57.5241 32.0504 173.2131 3 K 4.0736 8.3236 129.6022 57.6129 32.9109 176.4041 4 G 3.8670 8.7815 107.0254 44.4650 0.0000 172.9129 5 T 4.4246 8.2295 106.5837 61.0186 69.9843 174.4810 6 V 3.9883 7.5751 122.4391 61.9684 30.2109 174.6039 7 L 4.2933 8.0670 126.1943 55.9417 42.7508 178.0253 8 N 4.4464 7.9684 117.6879 53.3281 40.4477 175.5765 9 S 4.1356 8.6067 122.9561 61.7073 63.2913 176.5952 10 E 3.9806 8.1894 121.8810 58.9890 29.2798 179.1935 11 I 3.6848 7.7918 119.6071 64.4402 37.2756 178.5121 12 S 4.1010 8.1132 115.9776 61.6531 62.4498 176.7548 13 S 4.0744 7.8993 114.5495 61.4562 62.4846 176.3327 14 V 3.7696 8.0042 122.0204 64.9349 31.1955 178.3703 15 I 3.7570 8.0189 120.8743 63.8865 36.7342 178.1212 16 S 4.3687 7.9385 113.0893 59.9693 63.0778 175.4316 17 R 4.4554 7.4252 120.2274 54.9837 30.9773 176.1582 18 L 4.2127 7.2754 119.8321 54.5838 42.3636 176.5207 19 G 4.1501 9.4901 111.5362 43.0522 0.0000 171.7971 20 H 4.4614 8.5694 118.8340 58.0439 29.8326 175.3762 21 T 3.4732 8.8846 116.4441 61.5254 68.7799 171.9517 22 D 4.6631 7.8470 122.8549 54.9365 42.2802 175.5061 23 T 5.1445 8.4103 110.5845 59.8916 72.6501 172.3661 24 L 5.0913 8.7830 124.1213 53.4647 45.7165 175.0147 25 V 4.8037 8.7437 126.0970 61.2681 34.0458 174.2917 26 V 4.8913 8.7298 127.6521 61.3382 33.7149 174.1525 27 C 5.7824 9.0652 122.0974 56.4160 33.3983 172.8498 28 D 5.2475 9.5493 119.6726 52.0513 41.0175 177.2273 29 A 4.1320 9.0778 121.4401 54.0523 18.2750 178.4415 30 G 3.9791 8.2168 103.1309 44.8144 0.0000 173.7206 31 L 4.1402 7.5271 122.4223 53.9406 42.6322 174.8886 32 P 4.4502 0.0000 0.0000 62.5979 32.1072 175.6759 33 I 4.4342 7.9787 120.8476 58.7958 39.0554 174.0582 34 P 4.4569 0.0000 0.0000 62.3348 31.7571 177.1737 35 N 4.5906 8.5732 117.8503 54.4514 37.6647 175.8556 36 S 4.4419 7.9174 112.6188 59.1036 63.4617 173.5800 37 T 4.5961 7.4476 114.6390 59.9875 70.4405 173.0788 38 A 4.1897 8.1141 127.6794 52.0168 19.8132 176.4334 39 R 4.6125 8.5516 121.8086 54.8530 31.8249 175.5960 40 I 4.3424 8.7404 129.0494 59.8253 38.6471 174.6149 41 D 4.9065 8.5127 126.3847 52.8531 43.0202 175.4365 *43 A 4.0246 8.2944 123.7084 52.3025 19.0641 175.9394 44 L 4.1920 8.8132 124.8363 56.9853 42.9685 175.9541 45 T 4.3771 7.3486 109.9377 60.7305 70.1057 171.5395 46 Q 4.0141 8.6351 121.8969 57.7682 28.5571 177.9298 47 G 3.8828 9.4473 111.5049 45.3866 0.0000 172.8910 48 V 4.4390 8.0557 120.3123 60.2540 34.2967 173.2118 49 P 5.0350 0.0000 0.0000 62.2025 33.3461 175.9344 50 S 4.6363 9.5539 116.2589 57.3889 64.7191 175.0038 51 F 4.0794 9.0775 120.0191 59.8993 39.4157 176.7760 *53 Q 4.1853 8.1356 119.5821 55.7948 30.6494 177.8083 54 V 3.4666 7.5979 116.4163 65.8688 31.5403 178.0799 55 V 3.3762 7.5144 118.2171 65.9669 31.0338 177.2960 56 D 4.2549 7.8090 115.6695 57.4516 41.4304 177.9903 57 V 3.6828 7.6664 118.5632 65.8776 31.6332 177.8786 58 V 3.5793 8.0128 118.6389 66.3575 31.1798 177.7651 59 T 4.1606 7.7949 106.3651 63.5047 68.8520 176.2986 60 R 4.0858 7.6790 120.5688 58.0736 30.5288 176.6472 61 E 4.4955 7.8126 118.2647 55.7290 30.1752 176.4454 *63 Q 4.2632 7.8755 117.2672 55.9746 30.6555 175.1749 64 V 4.8779 8.7987 125.0126 61.2331 32.8901 175.1288 65 E 4.6915 9.4130 125.0114 56.8549 31.9796 175.2608 66 A 5.0932 7.6304 119.8911 50.9585 23.0205 174.8034 67 A 5.1192 9.3512 120.7068 50.3136 23.0047 175.2886 68 I 4.9562 8.9855 122.4588 59.5331 40.4653 174.8929 69 L 5.3339 8.5876 124.5433 52.6430 46.5016 175.7944 70 A 4.7413 8.1364 123.4728 52.0110 19.4867 178.8452 71 T 3.8975 9.0055 119.9875 67.0687 68.5136 176.8219 72 E 3.6737 7.8541 119.4962 59.0075 29.1613 179.0208 73 I 3.6404 7.4851 118.9193 63.6075 37.6916 177.9100 74 K 3.7328 7.4925 118.8068 59.6878 32.0041 178.8660 75 Q 4.1273 7.8024 115.9131 58.1226 29.0614 177.4170 76 Q 4.4916 7.7593 116.1207 55.7161 30.7930 175.6954 77 N 5.0205 8.2468 119.4586 50.7228 39.7609 173.4133 78 P 4.2805 0.0000 0.0000 66.0552 31.8542 178.0386 79 Q 3.9221 8.0208 118.8730 58.9088 28.9947 177.9035 80 L 3.9480 7.9752 120.8783 58.2344 42.2295 177.8059 81 H 4.1556 8.3783 118.5075 59.5238 29.6709 176.5648 82 E 3.8697 8.4212 120.8270 59.7433 29.5228 178.8275 83 T 3.8915 7.9182 115.7283 66.5351 68.4584 176.4086 84 L 4.0950 8.2876 122.3633 58.1681 42.1557 178.9837 85 L 4.0280 8.0888 118.9733 58.1324 41.5531 179.5691 86 T 3.8657 8.0961 115.7124 66.9704 68.3541 176.1325 87 H 4.2161 8.4049 120.0061 59.3577 29.9370 177.3850 88 L 3.9077 8.4493 121.1489 57.4355 41.2156 179.1397 89 E 3.9363 8.2979 119.7414 59.4509 29.6287 178.9305 90 Q 4.0507 8.1414 118.1407 58.5053 28.7852 178.2815 91 L 3.9216 8.0617 121.9228 58.1833 42.1836 179.0847 92 Q 4.3511 8.0072 118.9492 58.7414 28.2144 178.5389 93 Q 3.9748 7.6389 119.2706 59.2978 28.9174 178.2184 94 H 4.2396 8.1368 115.6048 58.9431 28.7888 177.6234 95 Q 4.2147 8.6153 119.2207 56.4699 28.5878 176.8564 96 G 3.9119 8.1451 107.6154 46.1303 0.0000 172.8249 97 N 4.8975 7.6980 117.3234 51.2548 39.9559 172.0391 98 T 4.4590 8.2973 112.4144 60.7014 69.2427 174.0225 99 I 4.2935 8.9349 131.6120 60.4557 37.9070 175.9354 100 K 4.2057 8.7307 129.9569 56.2456 33.2159 175.4853 101 I 5.0488 8.3924 128.1359 59.6374 39.4369 174.9542 102 S 4.8113 8.6539 119.9229 56.9886 67.0168 172.2521 103 Y 5.3671 8.6217 117.3782 56.5573 41.2109 174.8350 104 T 4.9830 8.9066 112.3801 59.6674 73.2517 173.3635 105 T 4.2661 8.4518 111.2436 61.7027 69.5384 174.7483 106 H 4.2151 8.6699 121.7498 59.5415 29.6828 177.5099 107 E 3.9632 8.2906 119.9722 59.6717 29.3802 179.0620 108 Q 4.0213 8.1695 119.3505 58.7640 29.0834 177.6896 109 F 4.0462 8.5475 122.2324 61.3752 39.2237 177.1454 110 K 4.0177 8.2077 116.6653 59.5773 32.1680 179.1190 111 K 4.1146 7.9091 118.3767 59.5194 31.9838 179.4374 112 L 3.9767 7.9972 119.4226 57.8116 41.5443 179.6199 113 T 3.7411 7.7785 109.5057 64.4508 68.3015 176.2435 114 A 4.0792 7.6948 122.6920 54.2203 18.4149 178.1177 115 D 4.6947 7.7014 115.5344 53.3366 41.5777 176.8060 116 S 4.8708 7.0328 114.0510 56.9548 64.5206 174.5272 117 Q 4.0714 9.0281 120.4658 58.8974 28.8604 176.1998 118 A 4.8594 7.3832 115.2485 50.9769 23.4030 175.4126 119 V 4.6014 8.6896 120.3906 61.2711 34.0762 174.6431 120 I 4.6905 9.1608 129.9923 59.9722 38.5656 174.7015 121 R 4.7468 8.8502 129.7237 55.3534 30.7110 176.3377 122 S 4.6205 8.8042 122.0374 56.9413 65.5356 174.0480 123 G 4.0226 8.9331 105.2912 46.3229 0.0000 173.3095 124 E 4.4587 8.2845 122.8841 56.7106 30.1721 176.9817 125 C 4.7283 8.7432 122.9352 59.7899 29.8979 174.3988 126 S 4.3217 7.6578 112.6446 57.1060 63.3576 172.1951 127 P 4.1429 0.0000 0.0000 63.6352 31.6476 175.8434 128 Y 3.3697 7.7036 117.4309 59.1674 35.8308 171.3871 129 A 3.9246 7.3150 120.5186 50.5811 16.2352 177.6085 130 N 5.6294 7.4808 116.9758 50.8655 43.2853 175.6768 131 V 5.0485 9.5646 122.4675 60.2529 35.5365 174.2608 132 I 4.5740 8.9176 124.7472 60.0797 38.8113 174.4554 133 L 5.0203 8.9574 128.1704 53.4027 43.9292 175.2536 134 C 5.1188 8.8900 121.5689 57.7922 30.6317 173.1098 135 A 4.6659 9.0602 126.7697 51.8885 19.1219 176.6174 136 G 4.3421 8.1414 107.0204 46.1253 0.0000 173.2518 137 V 4.6694 8.4533 114.6299 59.4100 35.6077 176.0451 138 T 4.1569 8.3377 110.3621 61.8877 68.7821 174.2698 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 N 8.42 4.70 0.00 2.68 2.91 0.00 0.00 6.98 7.08 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 A 8.15 4.04 1.22 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 0.00 0.00 2 K 9.08 4.04 0.00 1.80 2.10 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 K 8.32 4.07 0.00 1.78 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 G 8.78 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 5 T 8.23 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 1.20 0.00 0.00 6 V 7.58 3.99 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 0.86 0.00 0.00 0.95 0.00 0.00 7 L 8.07 4.29 0.00 1.66 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.97 4.45 0.00 2.74 2.68 0.00 0.00 6.99 7.63 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 9 S 8.61 4.14 0.00 4.08 4.10 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 10 E 8.19 3.98 0.00 2.16 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 2.39 2.34 0.00 11 I 7.79 3.68 1.86 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 1.51 0.74 0.90 0.00 0.00 12 S 8.11 4.10 0.00 4.07 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 13 S 7.90 4.07 0.00 3.95 4.05 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 0.00 0.00 0.00 14 V 8.00 3.77 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 0.76 0.00 0.00 0.92 0.00 0.00 15 I 8.02 3.76 1.93 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 1.57 1.05 0.90 0.00 0.00 16 S 7.94 4.37 0.00 4.06 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 17 R 7.43 4.46 0.00 1.80 1.98 0.00 3.25 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 18 L 7.28 4.21 0.00 1.75 1.60 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.49 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 20 H 8.57 4.46 0.00 3.09 3.25 0.00 5.80 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 21 T 8.88 3.47 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 0.86 0.00 0.00 22 D 7.85 4.66 0.00 2.80 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 23 T 8.41 5.14 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 1.20 0.00 0.00 24 L 8.78 5.09 0.00 1.71 1.47 0.94 1.03 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 25 V 8.74 4.80 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 1.06 0.00 0.00 0.85 0.00 0.00 26 V 8.73 4.89 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 0.77 0.00 0.00 0.85 0.00 0.00 27 C 9.07 5.78 0.00 3.30 3.15 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 28 D 9.55 5.25 0.00 3.00 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 29 A 9.08 4.13 1.32 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 30 G 8.22 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 31 L 7.53 4.14 0.00 1.83 1.66 1.09 1.15 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 32 P 0.00 4.45 0.00 2.24 2.05 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 33 I 7.98 4.43 1.89 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 0.86 0.92 0.00 0.00 34 P 0.00 4.46 0.00 2.17 1.96 0.00 3.60 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 2.10 2.07 0.00 35 N 8.57 4.59 0.00 2.81 2.94 0.00 0.00 6.12 7.64 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 36 S 7.92 4.44 0.00 3.99 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 37 T 7.45 4.60 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 1.25 0.00 0.00 38 A 8.11 4.19 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 39 R 8.55 4.61 0.00 1.82 1.84 0.00 3.20 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 1.52 1.64 0.00 40 I 8.74 4.34 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 1.11 0.67 0.91 0.00 0.00 41 D 8.51 4.91 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 4.02 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 44 L 8.81 4.19 0.00 1.59 1.82 0.92 0.79 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 45 T 7.35 4.38 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 46 Q 8.64 4.01 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 47 G 9.45 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 48 V 8.06 4.44 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 1.07 0.00 0.00 0.97 0.00 0.00 49 P 0.00 5.04 0.00 2.15 2.15 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 50 S 9.55 4.64 0.00 4.06 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 51 F 9.08 4.08 0.00 3.16 3.18 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 0.00 0.00 0.00 0.00 *53 Q 8.14 4.19 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 54 V 7.60 3.47 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 1.01 0.00 0.00 0.97 0.00 0.00 55 V 7.51 3.38 1.77 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 0.93 0.00 0.00 0.20 0.00 0.00 56 D 7.81 4.25 0.00 2.51 2.76 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 57 V 7.67 3.68 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 0.92 0.00 0.00 0.95 0.00 0.00 58 V 8.01 3.58 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 0.97 0.00 0.00 0.96 0.00 0.00 59 T 7.79 4.16 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 1.23 0.00 0.00 60 R 7.68 4.09 0.00 1.97 2.03 0.00 3.11 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 61 E 7.81 4.50 0.00 1.96 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 2.24 2.24 0.00 *63 Q 7.88 4.26 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 64 V 8.80 4.88 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 0.83 0.00 0.00 0.92 0.00 0.00 65 E 9.41 4.69 0.00 2.03 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 0.00 2.37 2.25 0.00 66 A 7.63 5.09 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 67 A 9.35 5.12 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.99 4.96 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.69 0.97 0.00 0.00 69 L 8.59 5.33 0.00 1.16 1.50 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.14 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 9.01 3.90 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 1.08 0.00 0.00 72 E 7.85 3.67 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 1.82 2.07 0.00 73 I 7.49 3.64 1.79 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 1.48 1.30 0.93 0.00 0.00 74 K 7.49 3.73 0.00 1.68 1.71 0.00 1.39 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.20 7.81 75 Q 7.80 4.13 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 76 Q 7.76 4.49 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.30 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 77 N 8.25 5.02 0.00 2.79 2.62 0.00 0.00 6.82 7.25 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 78 P 0.00 4.28 0.00 2.31 2.44 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 79 Q 8.02 3.92 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 80 L 7.98 3.95 0.00 1.88 1.58 0.93 0.40 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 81 H 8.38 4.16 0.00 3.33 3.53 0.00 5.66 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 82 E 8.42 3.87 0.00 2.31 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 2.31 2.40 0.00 83 T 7.92 3.89 4.41 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 1.26 0.00 0.00 84 L 8.29 4.10 0.00 2.03 1.97 1.15 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.09 4.03 0.00 1.85 1.71 0.82 0.69 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 86 T 8.10 3.87 4.41 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 1.24 0.00 0.00 87 H 8.40 4.22 0.00 3.28 3.55 0.00 5.78 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 88 L 8.45 3.91 0.00 1.82 1.69 0.96 0.75 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 89 E 8.30 3.94 0.00 2.12 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 2.32 2.36 0.00 90 Q 8.14 4.05 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 91 L 8.06 3.92 0.00 1.70 1.73 0.94 0.54 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 92 Q 8.01 4.35 0.00 2.58 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.34 0.00 93 Q 7.64 3.97 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 94 H 8.14 4.24 0.00 3.22 3.39 0.00 5.85 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 95 Q 8.62 4.21 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.42 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 96 G 8.15 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 97 N 7.70 4.90 0.00 2.81 2.92 0.00 0.00 5.51 7.22 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 98 T 8.30 4.46 4.25 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 1.22 0.00 0.00 99 I 8.93 4.29 1.97 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 0.66 0.91 0.00 0.00 100 K 8.73 4.21 0.00 1.89 1.68 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 101 I 8.39 5.05 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 1.40 0.61 0.73 0.00 0.00 102 S 8.65 4.81 0.00 3.85 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 0.00 103 Y 8.62 5.37 0.00 2.87 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 0.00 104 T 8.91 4.98 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 1.27 0.00 0.00 105 T 8.45 4.27 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 1.23 0.00 0.00 106 H 8.67 4.22 0.00 3.44 3.46 0.00 5.79 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 0.00 107 E 8.29 3.96 0.00 2.06 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 0.00 2.46 2.36 0.00 108 Q 8.17 4.02 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 109 F 8.55 4.05 0.00 3.32 3.15 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 0.00 110 K 8.21 4.02 0.00 1.94 1.90 0.00 1.78 0.00 0.00 1.49 0.00 0.00 3.22 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.57 7.81 111 K 7.91 4.11 0.00 1.89 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 L 8.00 3.98 0.00 1.60 1.56 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.78 3.74 4.19 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 0.00 0.00 1.05 0.00 0.00 114 A 7.69 4.08 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 0.00 115 D 7.70 4.69 0.00 2.72 2.67 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 0.00 116 S 7.03 4.87 0.00 4.13 3.80 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 0.00 0.00 0.00 117 Q 9.03 4.07 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 118 A 7.38 4.86 1.19 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 0.00 0.00 0.00 0.00 0.00 119 V 8.69 4.60 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 1.10 0.00 0.00 0.94 0.00 0.00 120 I 9.16 4.69 1.86 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 1.11 0.58 0.90 0.00 0.00 121 R 8.85 4.75 0.00 1.83 1.85 0.00 3.27 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 122 S 8.80 4.62 0.00 4.12 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 0.00 123 G 8.93 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 0.00 124 E 8.28 4.46 0.00 2.38 1.93 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 2.30 2.40 0.00 125 C 8.74 4.73 0.00 2.86 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 0.00 126 S 7.66 4.32 0.00 4.05 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 0.00 127 P 0.00 4.14 0.00 2.16 1.87 0.00 3.80 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 2.20 2.06 0.00 128 Y 7.70 3.37 0.00 2.99 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 0.00 129 A 7.32 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.48 5.63 0.00 2.18 2.93 0.00 0.00 6.99 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 0.00 131 V 9.56 5.05 2.44 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 1.02 0.00 0.00 1.06 0.00 0.00 132 I 8.92 4.57 1.76 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.10 0.81 0.00 0.00 133 L 8.96 5.02 0.00 1.66 1.57 0.90 0.60 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 0.00 134 C 8.89 5.12 0.00 2.83 2.80 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 0.00 0.00 0.00 135 A 9.06 4.67 1.32 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 0.00 136 G 8.14 4.34 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 0.00 137 V 8.45 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 0.84 0.00 0.00 0.88 0.00 0.00 138 T 8.34 4.16 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 * Residues marked with a * may have inaccurate shift predictions.