NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 3.9123 0.0000 0.0000 61.8779 33.2897 174.7017 2 L 5.6048 8.1477 120.6100 50.2662 44.9391 174.6105 3 R 4.8050 8.7710 118.5255 54.0116 34.3719 173.3389 4 L 4.2661 8.6104 121.8588 55.3826 42.4690 177.0658 5 G 3.9932 8.7701 116.5043 43.8797 0.0000 173.5100 6 G 3.8719 8.7297 107.4355 48.7962 0.0000 175.4223 7 N 4.3133 8.1316 115.9472 53.2490 37.1698 175.5155 8 G 3.9096 8.1081 106.6381 46.0915 0.0000 173.0784 9 Q 4.8643 8.4748 118.2557 53.2604 32.6687 174.9231 10 L 4.5712 8.6297 121.2266 55.0695 42.4554 176.3222 11 Q 4.7851 9.4682 125.5246 54.6586 31.4619 173.2754 12 Y 5.2388 8.7448 126.5927 55.7212 40.6543 174.5048 13 W 5.2775 7.7059 122.0610 54.2757 31.6456 172.9627 14 P 4.1311 0.0000 0.0000 61.2124 31.9312 176.2514 15 F 4.1000 8.0293 119.6284 58.2376 39.6325 175.4786 16 S 4.5765 8.6525 119.0144 57.3594 64.4306 175.0292 17 S 3.7897 8.8705 118.9668 61.9428 62.4587 176.7281 18 S 4.0732 8.1399 118.3935 61.7145 62.5710 176.6431 19 D 3.6283 7.5515 120.4980 56.7390 40.3780 178.8400 20 L 3.7453 6.9173 118.9717 58.0236 41.7795 178.9826 21 Y 4.3786 7.6525 116.8254 61.0254 37.6154 178.5906 22 N 4.3320 8.4780 118.0423 56.2075 38.4516 177.3718 23 W 4.5036 7.6890 118.9883 59.5923 29.3214 178.3943 24 K 4.1890 8.1763 119.4361 59.6582 31.6864 178.4076 25 N 4.7141 8.2633 113.6974 54.6108 38.4316 175.2435 26 N 5.0877 7.8129 116.4227 52.6968 39.8026 173.6980 27 N 5.0812 8.1830 115.0210 50.3421 42.5783 172.2840 28 P 4.3897 0.0000 0.0000 62.7237 31.2430 175.5788 29 S 4.5470 8.1003 113.2800 57.1854 63.8520 175.0487 30 F 4.3357 9.1313 121.9312 61.7478 39.2340 177.3067 31 S 4.0286 8.3402 114.9621 61.7635 62.8137 175.3481 32 E 3.9743 7.6279 118.2769 59.5686 29.3090 177.6402 33 D 4.3628 7.3704 112.9443 52.1413 43.5634 173.9994 34 P 4.2983 0.0000 0.0000 64.2852 31.6456 178.2383 35 G 3.7601 8.2136 105.3347 48.4231 0.0000 174.8140 36 K 4.0684 7.9555 120.8467 59.1801 31.9663 179.2350 37 L 4.0487 7.8525 118.7267 58.3209 41.7818 179.8665 38 T 3.9358 8.4181 115.7886 66.3020 68.1804 176.6404 39 A 3.9425 7.9672 122.7072 55.0906 18.5160 179.4500 40 L 3.7609 7.8936 118.7962 58.1810 42.0668 179.2404 41 I 3.3761 7.9706 120.0647 64.2484 37.1474 177.6328 42 E 3.8445 8.1082 120.2956 59.6365 29.2783 179.0730 43 S 4.1295 7.6421 112.5983 61.4876 62.5314 176.2650 44 V 3.7728 7.3728 122.0786 65.2944 30.9362 177.7381 45 L 4.0190 8.0779 119.0299 58.0784 41.5333 179.6794 46 T 4.0382 7.4629 114.2428 66.8491 68.5687 177.3851 47 T 4.0385 8.4600 111.9754 64.1994 68.8182 175.0643 48 H 4.6662 8.4397 116.4827 54.4457 30.7761 173.8211 49 Q 3.5012 7.8370 118.2769 55.0461 26.5007 172.6976 50 P 4.3343 0.0000 0.0000 62.6074 32.7283 178.7552 51 T 4.2769 8.3215 110.8147 61.4644 70.0226 173.3786 52 W 3.9090 8.9772 129.3127 61.0235 31.1772 178.8851 53 D 4.2143 8.7281 117.7668 58.2150 40.9496 178.8396 54 D 4.5958 8.1632 118.8182 57.5560 40.7303 179.2693 55 C 4.0895 7.7751 116.8692 63.0462 27.8892 176.1892 56 Q 3.7918 7.8073 119.8052 59.0220 27.9998 179.1939 57 Q 3.9447 7.7777 118.4933 58.7070 28.8827 178.3175 58 L 3.8364 7.6660 119.9103 57.7675 41.6901 179.7198 59 L 3.9421 8.4568 119.1038 57.8446 41.4162 179.6813 60 G 3.7657 8.7356 105.2511 47.5570 0.0000 174.6420 61 T 4.4795 7.2839 115.7538 64.8205 70.2692 176.4172 62 L 4.1645 7.8273 119.9465 55.6649 42.0979 177.2372 63 L 4.9088 6.9848 117.2794 52.7184 43.5441 177.0384 64 T 4.3240 8.3713 113.0648 60.9817 70.9932 175.8719 65 G 4.0011 8.6898 108.8899 48.6212 0.0000 175.6949 66 E 4.0288 8.1580 120.9555 58.7563 29.5219 179.3546 67 E 4.0382 8.4089 118.6279 59.3442 29.6449 178.9933 68 K 3.7375 9.2898 119.9351 59.8658 32.1468 178.7499 69 Q 3.9939 8.2132 117.9771 58.8465 28.5986 178.3972 70 R 3.9041 7.6723 119.2722 59.5788 30.0670 179.0723 71 V 3.5027 7.6919 117.5297 65.9904 31.5541 177.8575 72 L 3.8781 8.3764 118.8226 57.8529 41.5307 179.2179 73 L 3.8676 7.8903 118.4459 58.1868 41.4587 179.3225 74 E 3.9206 8.2062 117.1298 59.6856 29.8207 179.3624 75 A 3.9619 7.4412 120.4227 55.1703 18.4432 179.9489 76 R 3.7459 7.2603 116.1668 59.1080 29.8622 179.1451 77 K 3.9476 8.3163 118.7800 58.6268 32.0831 177.5846 78 A 4.5671 7.1459 118.5406 50.8385 19.3465 177.0240 79 V 3.9369 6.9056 118.8608 64.0728 32.1669 176.0255 80 R 4.5924 7.9353 120.1970 55.7646 31.1837 176.3054 *92 E 4.3751 8.4069 120.2322 56.2338 31.5294 177.4649 93 V 3.6807 7.8442 117.3481 66.1314 30.9030 177.4450 94 D 4.4496 8.2544 118.0032 57.5034 40.5255 178.4220 95 A 4.2014 7.6492 118.9715 54.8218 18.2794 179.4429 96 A 4.3175 8.0156 118.9662 54.1558 20.2038 177.9757 97 F 5.0627 7.8960 116.5174 55.6943 39.3459 172.3817 98 P 4.8263 0.0000 0.0000 62.2224 32.1663 177.4384 99 L 4.6200 7.8803 116.2172 55.6088 42.2751 176.6375 100 E 4.7458 7.7069 118.1853 53.3481 32.3916 175.1154 101 R 2.0000 8.0808 124.1097 55.4330 30.2511 174.5144 102 P 3.9377 0.0000 0.0000 61.8729 32.3639 176.2003 103 D 4.4343 7.7184 120.3231 51.4789 37.9925 175.4655 104 W 4.9409 7.5616 126.3287 55.8377 32.1049 175.4336 105 D 4.5641 8.3249 117.9574 52.4777 42.0920 175.5057 106 Y 4.4561 8.2052 125.5830 59.0264 38.4124 177.3995 107 T 4.0593 8.4124 112.0349 64.2612 69.3321 175.4662 108 T 4.4639 7.8908 112.7859 60.5505 71.6130 175.9742 109 T 3.9921 8.3525 113.5234 64.1610 69.0069 176.5201 110 E 4.0098 8.0352 120.5660 58.6757 30.2582 178.2765 111 G 3.6395 7.5833 106.9269 47.8952 0.0000 175.7583 112 R 3.9674 8.0169 120.4581 58.9092 29.9762 178.9339 113 N 4.4267 7.8055 115.9359 56.0248 38.3962 177.3913 114 H 3.9656 8.2150 118.2175 58.6546 28.5757 177.3060 115 L 4.2913 7.3584 120.6821 58.1987 41.4182 179.6278 116 V 3.5993 8.2602 117.9865 66.1944 31.2676 177.9424 117 L 3.9822 8.0806 119.8152 58.2965 41.9617 177.9862 118 Y 4.1624 8.9132 120.6606 61.0623 38.6843 178.4311 119 R 4.0821 8.5071 118.8500 59.4809 30.2006 179.1674 120 Q 4.0012 7.8976 117.7810 59.0085 28.7914 178.7583 121 L 4.0223 8.2611 120.2562 57.6249 41.6414 179.1616 122 L 3.9821 8.4295 120.7759 58.1192 41.9653 178.9055 123 L 3.8888 7.9212 119.8930 58.3004 41.4033 178.1095 124 A 3.9998 8.6546 120.8183 56.4434 18.2085 179.4949 125 G 3.5125 9.0520 99.4204 48.3094 0.0000 175.6078 126 L 3.5215 8.3909 121.2288 57.0184 42.2283 179.1582 127 Q 4.2244 8.2895 120.2374 59.7825 29.2057 179.3707 128 N 4.4463 9.2432 115.5779 55.8057 39.8261 176.7774 129 A 4.5751 8.4542 123.1727 51.4338 15.6553 177.9727 130 G 4.0237 7.6321 111.1750 45.0513 0.0000 173.2524 131 R 4.1063 7.8752 121.8412 56.1775 29.4626 178.5590 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 3.91 0.00 0.49 0.94 0.00 2.28 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.74 0.00 2 L 8.15 5.60 0.00 1.44 1.39 0.76 -0.11 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 8.77 4.81 0.00 1.91 2.09 0.00 3.16 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.98 0.00 4 L 8.61 4.27 0.00 1.68 1.64 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.77 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 0.00 0.00 0.00 6 G 8.73 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 7 N 8.13 4.31 0.00 2.86 2.99 0.00 0.00 6.05 7.00 0.00 0.00 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 8.11 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 9 Q 8.47 4.86 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 10 L 8.63 4.57 0.00 1.75 1.58 1.08 0.88 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 11 Q 9.47 4.79 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 12 Y 8.74 5.24 0.00 2.86 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 13 W 7.71 5.28 0.00 3.22 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.13 0.00 2.11 2.11 0.00 3.87 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 2.13 2.33 0.00 15 F 8.03 4.10 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 16 S 8.65 4.58 0.00 4.03 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 17 S 8.87 3.79 0.00 4.14 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 0.00 18 S 8.14 4.07 0.00 3.79 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 19 D 7.55 3.63 0.00 2.20 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 6.92 3.75 0.00 1.19 1.22 0.55 0.57 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 7.65 4.38 0.00 2.96 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 22 N 8.48 4.33 0.00 2.53 2.79 0.00 0.00 6.92 7.49 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 23 W 7.69 4.50 0.00 3.47 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 24 K 8.18 4.19 0.00 1.98 2.04 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.55 7.81 25 N 8.26 4.71 0.00 2.83 2.88 0.00 0.00 6.94 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 7.81 5.09 0.00 2.83 2.84 0.00 0.00 6.69 9.23 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 27 N 8.18 5.08 0.00 2.83 2.69 0.00 0.00 6.88 7.44 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 28 P 0.00 4.39 0.00 2.19 2.12 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 29 S 8.10 4.55 0.00 4.05 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 30 F 9.13 4.34 0.00 3.05 3.25 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 0.00 31 S 8.34 4.03 0.00 4.05 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 32 E 7.63 3.97 0.00 1.91 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 2.35 2.28 0.00 33 D 7.37 4.36 0.00 2.72 2.46 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 34 P 0.00 4.30 0.00 1.53 0.94 0.00 3.78 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.46 0.00 35 G 8.21 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 36 K 7.96 4.07 0.00 1.89 1.81 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.65 7.81 37 L 7.85 4.05 0.00 1.86 1.79 1.04 0.70 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 38 T 8.42 3.94 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 1.27 0.00 0.00 39 A 7.97 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.76 0.00 1.63 1.67 0.79 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.97 3.38 1.83 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 1.22 0.49 0.82 0.00 0.00 42 E 8.11 3.84 0.00 2.09 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 2.30 2.35 0.00 43 S 7.64 4.13 0.00 3.98 3.74 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 44 V 7.37 3.77 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 -0.03 0.00 0.00 45 L 8.08 4.02 0.00 1.91 1.74 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.46 4.04 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 1.22 0.00 0.00 47 T 8.46 4.04 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 1.30 0.00 0.00 48 H 8.44 4.67 0.00 3.40 3.13 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.84 3.50 0.00 2.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 50 P 0.00 4.33 0.00 2.22 2.12 0.00 3.94 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 51 T 8.32 4.28 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 52 W 8.98 3.91 0.00 3.04 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 8.73 4.21 0.00 2.84 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 54 D 8.16 4.60 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.78 4.09 0.00 2.84 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 56 Q 7.81 3.79 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00 57 Q 7.78 3.94 0.00 2.24 2.04 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 2.44 2.46 0.00 58 L 7.67 3.84 0.00 1.82 1.60 0.83 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.46 3.94 0.00 1.55 1.64 0.93 0.85 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 60 G 8.74 3.77 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 0.00 0.00 0.00 61 T 7.28 4.48 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 1.28 0.00 0.00 62 L 7.83 4.16 0.00 1.67 1.70 0.83 1.03 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 63 L 6.98 4.91 0.00 1.77 1.54 0.70 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.37 4.32 4.38 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 1.28 0.00 0.00 65 G 8.69 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.16 4.03 0.00 2.09 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 2.42 2.48 0.00 67 E 8.41 4.04 0.00 2.27 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 2.57 2.41 0.00 68 K 9.29 3.74 0.00 1.88 1.96 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 69 Q 8.21 3.99 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.52 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 70 R 7.67 3.90 0.00 1.96 2.04 0.00 3.30 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 71 V 7.69 3.50 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 0.84 0.00 0.00 0.56 0.00 0.00 72 L 8.38 3.88 0.00 1.87 1.72 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.89 3.87 0.00 1.79 1.68 0.91 0.79 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 74 E 8.21 3.92 0.00 1.83 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 2.55 2.59 0.00 75 A 7.44 3.96 0.46 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 76 R 7.26 3.75 0.00 1.94 1.94 0.00 3.27 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.25 0.00 77 K 8.32 3.95 0.00 1.64 1.93 0.00 1.92 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 78 A 7.15 4.57 1.25 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 0.00 0.00 0.00 79 V 6.91 3.94 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 0.85 0.00 0.00 1.04 0.00 0.00 80 R 7.94 4.59 0.00 1.79 1.85 0.00 3.43 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 *92 E 8.41 4.38 0.00 2.05 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 2.31 2.34 0.00 93 V 7.84 3.68 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 1.16 0.00 0.00 0.97 0.00 0.00 94 D 8.25 4.45 0.00 2.77 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 95 A 7.65 4.20 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 96 A 8.02 4.32 1.52 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 0.00 0.00 97 F 7.90 5.06 0.00 3.00 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 98 P 0.00 4.83 0.00 2.27 2.06 0.00 3.76 0.00 0.00 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 99 L 7.88 4.62 0.00 1.79 1.91 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.71 4.75 0.00 1.87 1.67 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 2.07 2.19 0.00 101 R 8.08 2.00 0.00 1.25 1.36 0.00 3.33 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.77 0.00 102 P 0.00 3.94 0.00 0.49 0.63 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 7.72 4.43 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 4.94 0.00 3.37 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 0.00 105 D 8.32 4.56 0.00 2.58 2.47 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 0.00 106 Y 8.21 4.46 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.41 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 1.13 0.00 0.00 108 T 7.89 4.46 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 0.00 109 T 8.35 3.99 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 110 E 8.04 4.01 0.00 2.06 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 0.00 2.26 2.36 0.00 111 G 7.58 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 0.00 112 R 8.02 3.97 0.00 2.00 1.99 0.00 3.16 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 113 N 7.81 4.43 0.00 2.66 2.75 0.00 0.00 6.98 9.28 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 0.00 114 H 8.22 3.97 0.00 1.89 1.32 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 7.36 4.29 0.00 1.93 1.80 1.18 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.26 3.60 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 1.00 0.00 0.00 0.94 0.00 0.00 117 L 8.08 3.98 0.00 2.02 1.86 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.91 4.16 0.00 3.37 3.25 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 0.00 119 R 8.51 4.08 0.00 2.17 2.05 0.00 3.24 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.03 0.00 120 Q 7.90 4.00 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 121 L 8.26 4.02 0.00 1.89 1.70 1.09 0.81 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 0.00 122 L 8.43 3.98 0.00 1.77 1.85 1.00 0.38 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 0.00 123 L 7.92 3.89 0.00 1.83 1.93 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.65 4.00 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 0.00 125 G 9.05 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.39 3.52 0.00 1.75 1.68 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.29 4.22 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 128 N 9.24 4.45 0.00 2.92 2.87 0.00 0.00 7.10 7.23 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 0.00 129 A 8.45 4.58 1.50 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 0.00 0.00 130 G 7.63 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 0.00 131 R 7.88 4.11 0.00 1.84 1.71 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.