NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4882 8.1933 115.4151 57.6431 63.9444 173.9496 4 E 3.8755 8.1303 124.2269 59.8043 29.6900 177.5592 5 K 3.9238 8.4018 118.5148 59.7122 32.0412 177.8895 6 E 3.9291 8.0904 119.0217 59.9212 29.4319 178.0636 7 Y 4.1444 8.0134 118.8000 60.5510 38.9252 177.4789 8 V 3.3371 9.2178 119.7836 66.1772 31.2474 177.6827 9 E 3.8772 8.3690 118.8146 59.8162 29.6055 178.9211 10 M 4.0056 7.5264 117.7343 58.0636 32.0672 178.1467 11 L 3.6102 7.7096 120.8615 58.4816 42.3036 178.7233 12 D 4.5867 8.3624 118.6566 57.5536 40.5525 179.0797 13 R 3.8861 7.3618 118.1076 59.1988 30.3707 178.1237 14 L 3.9903 7.7122 119.7496 58.3028 42.0423 178.0275 15 Y 4.2009 7.4860 116.4736 61.6185 37.9589 179.2967 16 S 4.5560 8.1066 108.8466 58.9431 62.3682 174.7336 17 K 4.4495 8.2131 118.9075 56.4626 33.2840 176.2121 18 L 4.2719 8.2549 119.7422 54.1664 42.8018 175.8213 19 P 4.5042 0.0000 0.0000 62.0783 30.0168 175.8233 20 E 3.6277 7.5940 118.9228 56.2119 30.3244 171.2121 21 K 4.7179 8.3266 118.5167 55.1764 34.5025 175.7393 22 G 3.9454 8.3075 105.8114 44.3624 0.0000 173.7207 *28 Q 4.0458 8.1999 121.8645 55.8411 29.7507 173.9194 29 S 4.6556 7.4857 115.0169 57.4196 65.8834 173.2787 30 L 4.7356 8.1219 120.1973 52.5957 43.6579 174.7877 31 P 4.3227 0.0000 0.0000 62.7204 31.8365 175.9726 32 N 4.3247 8.6739 120.0260 53.5084 38.8532 174.4775 33 M 4.1155 8.5069 123.3695 54.9615 32.3473 175.3997 34 I 4.0970 8.4255 128.4758 61.2519 38.2152 175.5074 35 I 5.5512 8.5949 127.0091 58.6002 41.0636 174.3546 36 L 4.7769 8.1451 123.5373 54.9260 44.3197 173.7837 37 N 5.7397 8.4340 114.4416 50.9367 41.2387 175.9167 38 I 4.4381 8.0537 121.4391 59.6874 39.7786 176.0785 39 G 3.9652 9.2752 117.0444 45.0005 0.0000 171.1361 40 N 5.2008 8.4299 116.6690 52.5399 40.5482 174.8290 41 T 5.0801 7.7411 105.1350 60.2513 73.2634 173.2879 42 T 5.2189 8.4303 118.7920 61.9293 72.1528 173.0091 43 I 5.5178 8.4699 126.2555 58.8625 40.6822 175.0526 44 I 4.8035 8.3284 128.2375 58.9247 36.3117 176.5485 45 R 3.8764 8.2738 125.8758 58.7933 30.4443 177.7339 46 N 5.0170 8.0489 113.1783 52.4205 38.0610 175.9224 47 F 3.8803 8.6127 124.2284 62.2350 39.0059 177.0759 48 A 4.2858 8.1154 119.9034 55.2209 18.3001 179.2367 49 E 4.0191 8.2647 116.5089 60.3122 29.4056 178.2006 50 Y 4.0284 8.4402 117.5071 61.5912 39.0721 177.5642 51 C 4.1076 8.4160 116.3305 63.2392 28.2680 175.9747 52 D 4.4203 8.1273 119.4028 56.9033 41.0916 178.2976 53 R 4.5411 7.7341 118.7307 55.0575 29.8813 177.0661 54 I 4.1388 7.5284 105.6191 60.9942 39.5264 174.3193 55 R 3.7756 8.0256 117.8531 58.0154 27.5840 176.3071 56 R 4.6824 7.6315 113.9110 53.8291 33.5791 175.8685 57 E 4.0756 8.7799 123.3232 56.2015 30.4562 176.8649 58 D 4.6773 9.1738 126.3794 57.8791 40.4010 179.1224 59 K 3.9698 8.1321 118.1258 59.5417 31.9658 179.1822 60 I 3.8361 7.7882 119.8740 64.8109 37.0912 178.3047 61 C 2.9686 8.0812 116.9279 62.5552 27.9210 175.7522 62 M 3.9514 8.5958 120.2631 58.4513 31.9085 177.7522 63 K 3.7479 9.1603 120.2848 60.5590 32.2513 177.2684 64 Y 3.9732 8.2812 119.6469 60.4031 38.4722 177.4572 65 L 3.6618 8.6259 121.3135 58.2639 42.2671 179.5517 66 L 3.7918 8.3278 120.3224 57.8880 41.9433 178.3562 67 K 3.7048 8.0431 118.6485 59.9147 32.0863 177.9671 68 E 3.9136 7.7095 117.1040 59.4122 29.3927 179.1882 69 L 3.6869 7.2925 117.3864 55.1324 41.7474 177.0290 70 A 3.6199 8.3137 120.1053 53.1560 16.3336 176.8554 71 A 4.8424 7.7720 120.1720 51.1844 22.7728 174.6578 72 P 4.7295 0.0000 0.0000 61.1826 33.8212 175.0347 73 G 4.3499 7.6302 109.3202 46.5780 0.0000 170.7826 74 N 4.9849 7.5644 115.6445 52.3242 43.2475 173.0688 75 V 4.7767 8.0406 118.5818 61.1992 33.5247 175.4812 76 D 4.6536 9.3594 128.7604 54.6230 41.5127 176.3069 77 D 4.5686 8.7662 119.6515 54.4512 40.3788 176.6046 78 K 4.5098 7.6114 119.4229 57.9610 32.7660 176.3430 79 G 4.0821 7.6230 103.4732 47.0248 0.0000 172.1542 80 E 5.0406 7.7715 116.7699 54.1630 33.8456 176.2463 81 L 4.7620 8.4399 125.0407 53.7426 43.6134 175.1450 82 V 4.4221 8.3365 127.4216 61.3574 33.2738 174.3362 83 I 4.3740 8.4080 130.4691 59.9296 38.1317 176.8223 84 Q 4.3448 9.1292 129.7731 53.3665 25.4625 175.9539 85 G 3.7620 7.3274 107.9967 45.6112 0.0000 171.2930 86 K 4.2331 8.1355 125.5330 55.0127 31.9496 175.3179 87 F 5.2530 9.5164 126.6566 55.0878 41.6731 176.1723 88 S 4.2501 8.8131 116.3535 58.3783 63.5834 174.9429 89 S 4.1247 8.9661 120.3275 61.7785 62.2621 175.7736 90 Q 4.0548 8.0154 118.5940 59.1084 28.4206 178.7003 91 V 3.5997 7.8945 118.5556 66.3338 31.2907 178.3039 92 I 3.6699 7.4055 117.9864 64.3561 36.9167 177.9177 93 N 4.2903 8.1882 117.0345 56.7821 38.2149 177.2431 94 T 3.8915 8.0403 116.4756 67.1713 68.3293 176.2338 95 L 4.1488 7.8436 118.9743 57.4189 41.9582 179.0125 96 M 4.3739 8.3050 118.8026 58.7093 32.2955 177.9098 97 E 4.0497 8.9272 119.2073 59.7196 29.7374 179.1642 98 R 4.0541 7.8433 118.3565 59.7447 29.8892 178.2025 99 F 3.7786 8.5572 120.2100 60.9728 39.3705 177.0800 100 L 3.7187 7.8768 118.0679 57.7405 41.3173 179.0302 101 K 3.7423 8.1959 116.9215 59.9718 32.1801 178.9340 102 A 3.9742 7.7340 119.0966 54.0422 18.4667 177.5347 103 Y 4.3830 7.7276 112.0874 57.4332 39.7220 176.4740 104 V 4.1389 7.9773 118.1486 62.6272 33.4480 176.3363 105 E 3.9720 7.8925 120.7358 55.4524 30.2404 175.6547 106 C 4.2879 8.4482 126.2982 59.2391 32.5062 174.2042 107 S 4.1075 8.4341 121.2830 61.6622 62.3976 175.6550 108 T 4.0586 8.0945 115.9313 66.2576 68.1657 174.6799 109 C 4.6832 7.4925 110.3382 56.5662 30.9916 174.2717 110 K 4.0087 8.0940 118.7367 57.3391 29.9094 176.9563 111 S 4.0840 8.1085 115.9838 60.7392 62.1319 176.1708 112 L 3.8962 8.0151 115.8318 54.9543 39.6598 174.7014 113 D 4.8945 7.3425 120.4896 53.1269 38.8476 174.7796 114 T 5.2188 7.5378 109.5675 60.1142 73.4528 174.1685 115 I 4.4118 8.2134 122.7546 60.1669 40.5437 175.2509 116 L 4.6816 8.1423 123.7529 54.1256 42.4712 175.5332 117 K 4.3925 9.2774 125.8538 56.3674 33.9013 175.5201 118 K 4.5198 8.1335 117.9666 56.1940 35.8201 175.4882 119 E 4.5977 8.6731 121.0164 55.4109 32.9810 175.0912 120 K 3.9337 7.9190 116.8245 60.1195 32.8753 177.1485 121 K 4.8127 7.7349 117.8942 56.0512 34.2986 176.4150 122 S 4.4810 8.1073 115.1281 56.8492 66.4533 173.4290 123 W 5.2741 8.1100 125.2333 55.5359 31.5958 175.1750 124 Y 5.2815 8.4295 118.3125 56.4389 42.2661 174.5307 125 I 4.5159 8.6465 124.1475 60.8888 39.0716 175.2172 126 V 4.7655 8.3648 125.6269 60.8659 33.6439 174.0837 127 C 4.4854 8.7871 129.9185 59.7546 32.0274 174.0353 128 L 4.0055 8.8870 125.2933 55.9964 41.4951 176.9902 129 A 4.3495 8.1146 121.3633 53.7935 20.1794 177.8723 130 C 4.1513 7.7987 113.1718 58.8662 30.4681 175.4552 131 G 3.8679 8.4089 106.9142 44.1817 0.0000 172.8907 132 A 4.3922 7.5408 121.2377 51.3884 20.8032 176.8004 133 Q 5.6141 8.3035 118.0857 53.6127 30.5194 175.5919 134 T 4.2550 8.3784 121.8088 62.1423 69.3491 172.3290 135 P 4.6742 0.0000 0.0000 62.9665 31.7441 176.2342 136 V 4.1884 8.4046 117.1065 58.7398 35.5587 175.4244 137 K 3.8593 8.3444 124.3929 55.3699 30.6382 172.9987 138 P 2.0000 0.0000 0.0000 62.3560 30.4130 176.6156 139 L 3.8790 6.5920 121.0852 55.4211 43.1656 175.0637 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 3 S 8.19 4.49 0.00 4.05 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 4 E 8.13 3.88 0.00 2.16 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 0.00 2.43 2.48 0.00 5 K 8.40 3.92 0.00 1.82 1.91 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.56 7.81 6 E 8.09 3.93 0.00 2.09 2.19 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 2.36 2.36 0.00 7 Y 8.01 4.14 0.00 3.08 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.22 3.34 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 1.07 0.00 0.00 1.09 0.00 0.00 9 E 8.37 3.88 0.00 2.30 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 0.00 2.30 2.35 0.00 10 M 7.53 4.01 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.52 0.00 11 L 7.71 3.61 0.00 1.18 1.69 0.77 1.36 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 12 D 8.36 4.59 0.00 2.72 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 13 R 7.36 3.89 0.00 1.77 2.12 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 14 L 7.71 3.99 0.00 1.60 1.28 0.77 0.59 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 15 Y 7.49 4.20 0.00 3.32 2.96 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 16 S 8.11 4.56 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.21 4.45 0.00 1.86 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.45 7.81 18 L 8.25 4.27 0.00 1.76 1.68 1.20 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.50 0.00 2.04 2.01 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 20 E 7.59 3.63 0.00 2.04 1.94 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 2.20 2.33 0.00 21 K 8.33 4.72 0.00 1.71 1.71 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.46 7.81 22 G 8.31 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 Q 8.20 4.05 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 29 S 7.49 4.66 0.00 3.91 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 30 L 8.12 4.74 0.00 1.65 1.64 0.90 0.81 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 31 P 0.00 4.32 0.00 2.14 2.06 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 32 N 8.67 4.32 0.00 2.74 2.79 0.00 0.00 6.97 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.51 4.12 0.00 1.79 1.52 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 34 I 8.43 4.10 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 1.24 1.11 0.92 0.00 0.00 35 I 8.59 5.55 1.88 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 1.04 1.81 0.94 0.00 0.00 36 L 8.15 4.78 0.00 1.66 1.75 0.93 0.32 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 37 N 8.43 5.74 0.00 2.55 2.67 0.00 0.00 7.06 7.45 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 38 I 8.05 4.44 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.89 0.00 0.00 39 G 9.28 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 0.00 0.00 0.00 40 N 8.43 5.20 0.00 2.52 2.62 0.00 0.00 6.32 7.05 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 41 T 7.74 5.08 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 1.16 0.00 0.00 42 T 8.43 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 1.38 0.00 0.00 43 I 8.47 5.52 1.88 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 1.23 1.69 1.00 0.00 0.00 44 I 8.33 4.80 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.78 1.02 0.00 0.00 45 R 8.27 3.88 0.00 1.82 2.05 0.00 3.18 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 46 N 8.05 5.02 0.00 2.92 3.04 0.00 0.00 5.80 8.12 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 47 F 8.61 3.88 0.00 3.35 3.11 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 48 A 8.12 4.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.02 0.00 2.27 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 0.00 2.44 2.48 0.00 50 Y 8.44 4.03 0.00 2.85 2.97 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 51 C 8.42 4.11 0.00 3.27 3.33 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 52 D 8.13 4.42 0.00 2.86 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 53 R 7.73 4.54 0.00 1.74 1.77 0.00 3.43 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 54 I 7.53 4.14 1.76 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 1.38 0.51 0.59 0.00 0.00 55 R 8.03 3.78 0.00 2.09 2.00 0.00 3.38 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 56 R 7.63 4.68 0.00 1.91 2.00 0.00 3.45 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 57 E 8.78 4.08 0.00 2.02 1.87 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 2.40 2.35 0.00 58 D 9.17 4.68 0.00 2.87 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 59 K 8.13 3.97 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.56 7.81 60 I 7.79 3.84 2.17 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 1.62 0.80 1.13 0.00 0.00 61 C 8.08 2.97 0.00 3.10 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.60 3.95 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 63 K 9.16 3.75 0.00 2.13 2.00 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 64 Y 8.28 3.97 0.00 3.01 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 65 L 8.63 3.66 0.00 1.83 1.78 0.93 0.68 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 66 L 8.33 3.79 0.00 1.95 1.57 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.04 3.70 0.00 1.74 1.90 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.46 7.81 68 E 7.71 3.91 0.00 1.77 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 0.00 1.58 1.53 0.00 69 L 7.29 3.69 0.00 1.67 1.42 0.87 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.31 3.62 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 71 A 7.77 4.84 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.73 0.00 2.11 2.18 0.00 4.04 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 73 G 7.63 4.35 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 0.00 74 N 7.56 4.98 0.00 2.63 2.65 0.00 0.00 6.26 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 75 V 8.04 4.78 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 0.74 0.00 0.00 0.70 0.00 0.00 76 D 9.36 4.65 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.77 4.57 0.00 2.82 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 78 K 7.61 4.51 0.00 1.90 1.81 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.34 7.81 79 G 7.62 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 80 E 7.77 5.04 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 81 L 8.44 4.76 0.00 1.06 1.45 -0.27 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.34 4.42 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 0.88 0.00 0.00 0.89 0.00 0.00 83 I 8.41 4.37 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.78 1.14 0.00 0.00 84 Q 9.13 4.34 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 85 G 7.33 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 86 K 8.14 4.23 0.00 1.53 1.58 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.55 7.81 87 F 9.52 5.25 0.00 2.99 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 88 S 8.81 4.25 0.00 4.04 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 89 S 8.97 4.12 0.00 3.87 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 90 Q 8.02 4.05 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 91 V 7.89 3.60 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 0.94 0.00 0.00 92 I 7.41 3.67 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.58 0.90 0.00 0.00 93 N 8.19 4.29 0.00 2.88 2.88 0.00 0.00 7.06 6.33 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 94 T 8.04 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 1.23 0.00 0.00 95 L 7.84 4.15 0.00 1.77 1.71 0.75 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 96 M 8.31 4.37 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.39 0.00 97 E 8.93 4.05 0.00 2.08 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 0.00 2.41 2.65 0.00 98 R 7.84 4.05 0.00 2.15 2.40 0.00 3.59 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 99 F 8.56 3.78 0.00 3.47 3.38 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 0.00 100 L 7.88 3.72 0.00 1.97 1.67 1.05 0.96 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 0.00 101 K 8.20 3.74 0.00 1.81 1.86 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.63 7.81 102 A 7.73 3.97 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 0.00 103 Y 7.73 4.38 0.00 2.06 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 0.00 104 V 7.98 4.14 1.91 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 0.67 0.00 0.00 0.87 0.00 0.00 105 E 7.89 3.97 0.00 1.90 1.99 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 2.25 2.16 0.00 106 C 8.45 4.29 0.00 2.98 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 0.00 107 S 8.43 4.11 0.00 3.89 3.85 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 0.00 108 T 8.09 4.06 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 0.00 109 C 7.49 4.68 0.00 3.00 2.96 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 0.00 110 K 8.09 4.01 0.00 1.96 2.27 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.35 7.81 111 S 8.11 4.08 0.00 3.83 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 0.00 112 L 8.02 3.90 0.00 1.83 1.82 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.34 4.89 0.00 2.76 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 0.00 114 T 7.54 5.22 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 1.26 0.00 0.00 115 I 8.21 4.41 1.88 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 1.01 0.92 0.00 0.00 116 L 8.14 4.68 0.00 1.66 1.55 1.27 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 117 K 9.28 4.39 0.00 2.01 1.88 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.49 1.50 7.81 118 K 8.13 4.52 0.00 1.28 1.34 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.48 7.81 119 E 8.67 4.60 0.00 2.25 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 2.34 2.64 0.00 120 K 7.92 3.93 0.00 1.78 1.80 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.51 7.81 121 K 7.73 4.81 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.49 7.81 122 S 8.11 4.48 0.00 3.77 3.45 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 0.00 123 W 8.11 5.27 0.00 3.14 3.17 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 0.00 0.00 0.00 0.00 124 Y 8.43 5.28 0.00 2.98 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 0.00 125 I 8.65 4.52 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.80 0.90 0.00 0.00 126 V 8.36 4.77 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 1.02 0.00 0.00 0.98 0.00 0.00 127 C 8.79 4.49 0.00 3.06 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 0.00 128 L 8.89 4.01 0.00 1.66 1.70 0.96 0.70 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 A 8.11 4.35 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 0.00 130 C 7.80 4.15 0.00 3.09 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 0.00 131 G 8.41 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 0.00 132 A 7.54 4.39 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 0.00 133 Q 8.30 5.61 0.00 1.88 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.06 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 134 T 8.38 4.26 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 1.15 0.00 0.00 135 P 0.00 4.67 0.00 2.02 2.31 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 136 V 8.40 4.19 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 0.53 0.00 0.00 0.94 0.00 0.00 137 K 8.34 3.86 0.00 1.58 1.63 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.32 7.81 138 P 0.00 2.00 0.00 1.61 0.54 0.00 3.50 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 139 L 6.59 3.88 0.00 1.65 1.53 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.