NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 3.9037 0.0000 0.0000 61.9177 33.1943 174.6846 2 L 5.6667 7.7606 120.4627 50.6944 44.7242 174.8166 3 R 4.6871 8.5971 116.9559 55.6127 32.8447 174.2890 4 L 4.3941 8.8586 124.2645 55.2249 41.5228 177.3520 5 G 3.9638 8.3808 111.7985 42.2472 0.0000 171.2446 6 G 4.1731 9.5572 114.0693 46.6287 0.0000 172.2043 7 N 4.8306 7.7571 115.0960 50.3601 38.8356 175.5656 8 G 3.8367 7.7587 112.4488 42.8275 0.0000 171.8013 *10 L 4.7049 8.5260 128.3570 54.0614 43.5281 173.1675 11 Q 4.9926 8.4462 116.2492 54.2055 32.5676 173.3172 12 Y 5.3944 8.7016 119.7671 55.5727 41.4423 174.4545 13 W 5.0615 7.7257 121.9376 53.9548 31.4185 173.2331 14 P 4.0212 0.0000 0.0000 62.0006 31.5314 176.4548 15 F 4.1873 8.1143 120.1343 57.7328 39.7330 175.5904 16 S 4.4460 8.6300 119.1093 57.8277 64.0062 175.5541 17 S 3.9423 8.6046 117.9639 61.4001 62.6954 176.8479 18 S 4.1106 7.5474 118.8010 61.5737 62.4776 176.3142 19 D 3.6166 7.5272 120.7823 57.1083 40.5334 178.6910 20 L 3.5779 7.0485 118.7113 58.0021 41.4918 179.0241 21 Y 4.4252 7.4994 116.0514 60.3424 37.9495 177.7095 22 N 4.3180 8.4022 118.1550 56.2634 38.4663 177.1595 23 W 4.5469 7.7357 118.9335 59.8608 29.2777 178.3143 24 K 4.1637 8.1348 118.8655 59.7979 31.6069 178.7499 25 N 4.4204 8.5557 116.0188 55.7520 38.5606 176.1676 26 N 4.7779 8.0453 115.2627 52.3790 39.6485 174.5001 27 N 5.1030 7.2620 117.8524 50.0673 41.6600 172.5884 28 P 4.3725 0.0000 0.0000 62.6669 31.6710 176.0197 29 S 4.4865 8.1993 113.9345 57.8453 64.2767 173.7897 30 F 4.2361 8.7530 121.1747 61.0976 38.5707 176.4850 31 S 4.2287 8.0028 116.2709 58.8899 62.9011 178.4067 32 E 3.5368 7.1067 123.0755 58.3991 30.7439 178.4138 33 D 4.5327 7.5423 118.1260 51.4654 42.9027 173.6935 34 P 3.6701 0.0000 0.0000 63.7259 31.3741 177.8862 35 G 3.5808 7.9658 104.6732 47.9119 0.0000 175.5206 36 K 3.9799 7.7952 120.9375 59.2918 32.1359 179.4502 37 L 3.9962 7.8134 118.7054 57.8738 41.6155 179.7571 38 T 4.0760 7.7898 115.9870 66.2909 68.3672 176.7429 39 A 3.9207 7.9735 122.8322 54.9062 18.4403 179.3704 40 L 3.6332 8.0661 119.0924 58.3872 42.1267 179.0695 41 I 3.4157 7.8788 120.0313 64.2455 36.8606 177.6564 42 E 3.8449 8.2120 120.1222 59.5317 29.3587 178.5880 43 S 4.1194 7.8522 112.7027 61.7958 62.4347 176.5691 44 V 3.6844 7.5521 121.7711 65.3191 30.9277 177.7388 45 L 4.0461 7.9740 118.4766 57.7938 41.8380 179.2261 46 T 4.2685 7.4571 114.0144 66.2644 68.6110 177.3473 47 T 4.0274 8.0575 111.6891 65.0106 69.0028 175.5478 48 H 4.4911 8.6941 117.3022 54.7600 29.8151 174.8493 49 Q 3.5947 7.6596 118.7159 56.1436 26.7180 172.4992 50 P 4.3181 0.0000 0.0000 62.4653 32.8105 177.6570 51 T 4.2867 9.2912 112.3415 60.9060 71.2659 175.0959 52 W 3.7295 8.6587 128.9397 60.9814 30.5631 177.6520 53 D 4.4304 8.3264 118.3078 57.4095 40.2633 178.4031 54 D 4.4064 8.1567 119.3892 57.7682 40.7920 178.6984 55 C 4.2341 8.0970 117.0384 62.7888 27.9799 176.2044 56 Q 3.7125 7.5833 119.5977 58.9512 28.2192 178.9207 57 Q 3.9869 7.8946 118.7516 58.7299 28.6812 178.6015 58 L 3.8505 8.0468 119.9731 57.8634 41.7176 179.6793 59 L 3.9696 8.1074 118.9486 57.8111 41.3782 179.6805 60 G 3.7026 8.1455 104.7299 47.9577 0.0000 174.9610 61 T 4.3173 7.5387 116.1273 65.1124 69.2135 176.5840 62 L 4.3430 8.0300 119.6576 54.7534 42.4434 176.8205 63 L 4.9154 7.1830 117.7612 52.5416 44.3168 176.3969 64 T 4.2048 9.2769 112.3373 61.0145 69.7928 175.8637 65 G 3.6363 8.6182 108.5791 48.0683 0.0000 175.5826 66 E 3.9858 8.1493 120.3897 59.0331 29.6823 178.5298 67 E 3.8977 7.9212 118.3927 59.7788 29.6771 179.5630 68 K 3.7543 8.5972 119.4482 59.6274 32.0551 178.5457 69 Q 3.8861 8.0947 119.4624 59.2581 29.1023 177.7791 70 R 3.8951 8.4404 119.5266 59.6745 30.2467 178.9670 71 V 3.5109 8.1996 117.6985 65.9618 31.4764 178.0296 72 L 3.9834 8.2919 119.0373 57.7063 41.4165 179.1408 73 L 3.9200 8.1536 119.2993 58.2488 41.6379 179.6769 74 E 3.7906 8.2045 117.7850 59.3324 29.1453 179.3716 75 A 3.8400 7.3847 119.7692 54.7536 18.4602 179.7691 76 R 3.9029 7.5223 116.7014 59.3268 29.9873 179.0114 77 K 3.8019 8.2787 117.2528 59.6886 32.2420 178.6520 78 A 4.1349 8.1897 118.1287 52.4530 18.5356 178.0145 79 V 3.7202 7.0740 118.1393 62.8580 32.2829 174.8215 80 R 4.8805 8.2133 124.0216 54.4102 33.1434 175.1541 81 G 4.0170 8.6660 113.5876 44.0232 0.0000 174.3177 82 N 4.1106 8.6955 117.0529 55.8828 36.9393 175.4030 83 D 4.5414 8.0966 115.1027 52.7027 39.8669 176.4686 84 G 3.8850 8.4155 107.8097 46.5999 0.0000 173.6399 85 R 4.7116 7.7902 117.3686 52.6158 33.5077 173.2923 86 P 4.4139 0.0000 0.0000 63.5811 31.7415 176.2599 87 T 4.4674 7.9499 115.5327 61.0897 69.3935 173.0698 88 Q 4.4458 8.6462 127.8615 55.8310 29.1584 175.9362 89 L 4.2214 8.2189 120.1434 54.2485 40.9817 176.3550 90 P 4.1931 0.0000 0.0000 65.4447 31.8003 178.2392 91 N 4.6373 8.1344 114.6050 54.8545 38.0291 177.2390 92 E 3.9469 8.6240 119.5044 59.4880 29.6131 179.0296 93 V 3.6917 7.9023 117.7517 66.2640 31.2935 177.3347 94 D 4.6279 7.7688 115.6026 56.4924 40.9848 178.2935 95 A 4.2729 7.9939 120.7147 54.8779 18.3884 179.1589 96 A 4.4824 7.7872 118.0240 54.0203 20.3231 178.0100 97 F 5.1234 8.3323 116.9750 55.4026 39.4858 172.0533 98 P 4.3148 0.0000 0.0000 63.1370 31.9452 177.1723 99 L 4.4741 7.9969 121.6163 56.3430 42.0434 176.9274 100 E 4.6657 7.5879 116.7079 53.5143 32.7985 175.4410 101 R 2.0000 7.7794 121.5136 55.5568 30.1508 174.4836 102 P 4.1928 0.0000 0.0000 61.3854 32.7410 174.3502 103 D 4.5743 7.9329 116.7312 52.9106 39.7727 176.3303 104 W 4.3532 7.9205 119.4886 58.4059 29.4444 175.1233 105 D 4.6158 8.7730 123.7044 53.2467 41.2265 176.4737 106 Y 4.3929 8.3199 125.3545 59.4885 38.5797 175.7764 107 T 4.4614 7.7260 110.9307 61.4779 68.8255 174.9157 108 T 4.5606 7.7162 110.2449 61.1192 72.5218 172.4692 109 T 3.7761 8.7876 118.9791 67.9293 68.4246 176.0166 110 E 4.0565 8.2068 119.2904 59.3973 29.5738 179.6406 111 G 4.0271 7.6611 107.4734 47.5096 0.0000 175.9617 112 R 4.0259 7.9692 121.1640 58.8901 29.9272 178.9545 113 N 4.3405 7.9499 115.8017 56.1516 38.6250 177.0658 114 H 3.6128 7.9568 117.8218 58.6050 28.4694 177.2962 115 L 4.0828 7.9543 120.8624 58.0786 41.5008 179.4488 116 V 3.5791 8.3917 117.9082 66.4121 31.4056 177.8808 117 L 3.9585 8.1924 119.7798 58.2520 41.9652 178.0453 118 Y 4.3269 8.7487 119.8867 61.1311 38.6367 178.6852 119 R 3.9699 8.5653 118.9511 59.2813 30.1350 178.8583 120 Q 3.9945 8.5030 118.2330 59.1822 28.8133 179.0037 121 L 3.9181 8.5544 120.0287 57.8144 41.6204 179.3944 122 L 3.8871 8.3648 120.4902 57.9917 41.9472 178.8029 123 L 3.8582 8.4002 120.0719 58.6213 42.1457 178.8396 124 A 3.9541 8.2237 121.0110 55.0506 18.4856 179.4521 125 G 3.6146 8.4938 104.2095 48.0313 0.0000 175.7118 126 L 3.9859 7.9733 121.4298 57.6028 41.7385 179.1597 127 Q 4.0307 8.1760 117.9772 59.4847 28.5068 179.3054 128 N 4.3179 8.0494 115.5071 56.3629 38.7806 177.2844 129 A 4.2579 7.8870 120.5568 54.6882 18.4333 179.2990 130 G 3.7047 7.9851 105.6160 47.4229 0.0000 175.2709 131 R 4.3369 7.8777 126.5427 58.4505 29.7301 179.5579 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 P 0.00 3.90 0.00 0.49 1.10 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.04 0.00 2 L 7.76 5.67 0.00 1.50 1.48 0.76 -0.18 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 3 R 8.60 4.69 0.00 1.93 2.26 0.00 2.81 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 4 L 8.86 4.39 0.00 1.45 1.51 0.92 0.69 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 5 G 8.38 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 0.00 0.00 0.00 6 G 9.56 4.17 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 0.00 0.00 0.00 7 N 7.76 4.83 0.00 2.69 2.57 0.00 0.00 6.64 7.51 0.00 0.00 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 G 7.76 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 *10 L 8.53 4.70 0.00 1.47 1.64 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.45 4.99 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 12 Y 8.70 5.39 0.00 2.79 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 13 W 7.73 5.06 0.00 3.11 2.90 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 14 P 0.00 4.02 0.00 2.07 2.04 0.00 3.77 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 2.10 2.25 0.00 15 F 8.11 4.19 0.00 2.93 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 16 S 8.63 4.45 0.00 4.03 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 S 8.60 3.94 0.00 4.11 4.18 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 18 S 7.55 4.11 0.00 3.73 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.53 3.62 0.00 2.37 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.05 3.58 0.00 1.11 1.21 0.72 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.50 4.43 0.00 3.03 2.90 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 22 N 8.40 4.32 0.00 2.63 2.83 0.00 0.00 6.89 7.46 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 23 W 7.74 4.55 0.00 3.47 3.05 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 24 K 8.13 4.16 0.00 1.99 2.12 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.25 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.60 7.81 25 N 8.56 4.42 0.00 2.78 2.91 0.00 0.00 7.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.05 4.78 0.00 2.89 2.91 0.00 0.00 6.79 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 27 N 7.26 5.10 0.00 2.82 2.71 0.00 0.00 6.94 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.37 0.00 2.16 2.07 0.00 3.78 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 1.98 1.96 0.00 29 S 8.20 4.49 0.00 4.06 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 30 F 8.75 4.24 0.00 3.11 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 31 S 8.00 4.23 0.00 4.01 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.11 3.54 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 33 D 7.54 4.53 0.00 2.61 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 3.67 0.00 1.80 0.95 0.00 3.73 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 1.83 1.64 0.00 35 G 7.97 3.58 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 0.00 0.00 0.00 36 K 7.80 3.98 0.00 1.71 1.97 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.61 7.81 37 L 7.81 4.00 0.00 1.91 1.82 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.79 4.08 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 1.27 0.00 0.00 39 A 7.97 3.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.07 3.63 0.00 1.55 1.61 0.69 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.88 3.42 1.85 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 1.26 0.40 0.83 0.00 0.00 42 E 8.21 3.84 0.00 2.10 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 0.00 2.29 2.32 0.00 43 S 7.85 4.12 0.00 4.00 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 44 V 7.55 3.68 1.71 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 1.22 0.00 0.00 -0.08 0.00 0.00 45 L 7.97 4.05 0.00 1.85 1.76 0.92 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 46 T 7.46 4.27 4.36 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 1.24 0.00 0.00 47 T 8.06 4.03 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 1.32 0.00 0.00 48 H 8.69 4.49 0.00 3.58 3.35 0.00 5.96 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.66 3.59 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 50 P 0.00 4.32 0.00 2.22 2.08 0.00 3.94 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 51 T 9.29 4.29 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 52 W 8.66 3.73 0.00 3.03 2.95 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 53 D 8.33 4.43 0.00 2.77 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 54 D 8.16 4.41 0.00 2.79 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.10 4.23 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.58 3.71 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 1.32 1.71 0.00 57 Q 7.89 3.99 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 58 L 8.05 3.85 0.00 1.88 1.66 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.11 3.97 0.00 1.60 1.63 0.90 0.85 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 60 G 8.15 3.70 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 0.00 0.00 0.00 61 T 7.54 4.32 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 1.06 0.00 0.00 62 L 8.03 4.34 0.00 1.65 1.72 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.18 4.92 0.00 1.66 1.42 0.58 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 64 T 9.28 4.20 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 65 G 8.62 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 66 E 8.15 3.99 0.00 2.09 2.00 0.00 0.00 0.00 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 2.47 0.00 67 E 7.92 3.90 0.00 2.11 1.84 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 2.57 2.44 0.00 68 K 8.60 3.75 0.00 1.79 1.93 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 69 Q 8.09 3.89 0.00 2.42 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.45 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 70 R 8.44 3.90 0.00 1.99 2.01 0.00 3.21 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 1.69 1.69 0.00 71 V 8.20 3.51 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 0.87 0.00 0.00 0.59 0.00 0.00 72 L 8.29 3.98 0.00 1.88 1.84 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.15 3.92 0.00 1.97 1.71 0.95 0.82 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 74 E 8.20 3.79 0.00 2.13 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 2.49 2.56 0.00 75 A 7.38 3.84 0.31 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 76 R 7.52 3.90 0.00 2.05 1.99 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 77 K 8.28 3.80 0.00 1.75 1.85 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 78 A 8.19 4.13 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.07 3.72 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 0.97 0.00 0.00 1.07 0.00 0.00 80 R 8.21 4.88 0.00 1.73 1.73 0.00 3.33 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.83 0.00 81 G 8.67 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 82 N 8.70 4.11 0.00 2.82 3.02 0.00 0.00 6.02 8.06 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 83 D 8.10 4.54 0.00 2.81 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 84 G 8.42 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 85 R 7.79 4.71 0.00 2.16 1.80 0.00 3.17 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 86 P 0.00 4.41 0.00 2.03 2.02 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 87 T 7.95 4.47 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 1.27 0.00 0.00 88 Q 8.65 4.45 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 89 L 8.22 4.22 0.00 1.74 1.65 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.19 0.00 2.20 2.13 0.00 3.60 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 91 N 8.13 4.64 0.00 2.97 3.09 0.00 0.00 6.27 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 92 E 8.62 3.95 0.00 2.25 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 2.36 2.34 0.00 93 V 7.90 3.69 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 1.16 0.00 0.00 1.06 0.00 0.00 94 D 7.77 4.63 0.00 2.90 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 95 A 7.99 4.27 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.79 4.48 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.33 5.12 0.00 3.10 3.09 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 98 P 0.00 4.31 0.00 1.61 1.73 0.00 4.03 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 2.19 0.00 99 L 8.00 4.47 0.00 1.77 1.84 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.59 4.67 0.00 1.70 1.63 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 2.19 2.15 0.00 101 R 7.78 2.00 0.00 1.22 1.41 0.00 3.04 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.15 0.00 102 P 0.00 4.19 0.00 0.81 0.99 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.93 4.57 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 0.00 104 W 7.92 4.35 0.00 3.32 3.08 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 0.00 105 D 8.77 4.62 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.32 4.39 0.00 3.11 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 0.00 107 T 7.73 4.46 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 0.79 0.00 0.00 108 T 7.72 4.56 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 1.22 0.00 0.00 109 T 8.79 3.78 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 0.00 110 E 8.21 4.06 0.00 2.13 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 2.34 0.00 111 G 7.66 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.97 4.03 0.00 2.01 2.02 0.00 3.27 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 113 N 7.95 4.34 0.00 2.67 2.76 0.00 0.00 7.16 8.16 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 0.00 114 H 7.96 3.61 0.00 2.17 1.31 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.95 4.08 0.00 1.80 1.80 1.31 1.21 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 0.00 116 V 8.39 3.58 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 1.00 0.00 0.00 0.95 0.00 0.00 117 L 8.19 3.96 0.00 1.89 1.81 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.75 4.33 0.00 3.60 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.57 3.97 0.00 2.08 2.02 0.00 3.26 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 120 Q 8.50 3.99 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 121 L 8.55 3.92 0.00 2.05 1.69 1.10 0.68 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 0.00 122 L 8.36 3.89 0.00 1.74 1.79 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.40 3.86 0.00 1.77 1.89 0.91 1.19 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 0.00 124 A 8.22 3.95 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 0.00 125 G 8.49 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.97 3.99 0.00 1.87 1.88 0.89 0.46 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 0.00 127 Q 8.18 4.03 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 128 N 8.05 4.32 0.00 2.69 2.87 0.00 0.00 7.12 6.82 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 0.00 129 A 7.89 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.99 3.70 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 0.00 0.00 0.00 131 R 7.88 4.34 0.00 1.93 1.70 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.