NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4469 8.3349 115.4106 57.8661 64.8554 174.3293 4 D 4.5039 7.6024 122.8492 50.9309 41.5340 172.2146 5 K 4.4102 8.0498 123.3216 55.8406 34.4031 175.4775 6 I 4.9751 8.2299 117.3096 59.2006 41.1364 174.4676 7 I 4.6399 8.6303 124.5567 58.7920 40.0947 173.5090 8 P 4.7178 0.0000 0.0000 63.4139 31.5774 175.4393 9 I 4.5204 8.2378 121.4319 62.2644 39.7403 176.1533 10 A 4.3087 7.5782 119.3350 51.1275 22.1273 174.9076 11 E 4.7703 8.7977 121.8337 54.7552 32.6268 176.0954 12 N 4.6129 8.3772 121.5538 52.0172 37.6074 174.7060 13 K 4.1433 8.4341 123.8137 59.2026 32.8994 180.2057 14 E 4.5356 8.0225 118.0538 55.2133 28.0059 176.8560 15 A 4.8095 7.6143 119.4575 52.9033 24.1456 178.6391 16 K 4.0742 8.5075 114.7175 57.4783 32.5457 177.5966 17 A 4.7784 8.0468 119.5955 51.5764 19.3570 176.6924 18 K 4.4189 8.1538 117.2163 57.4766 34.9824 176.6583 19 Y 5.1872 7.7100 113.4182 55.9112 39.5411 172.7050 20 D 4.2183 8.2561 121.9517 54.0378 38.1014 172.8803 21 I 4.0213 8.1423 124.3502 61.0450 37.9847 176.1114 22 L 4.4949 8.0871 124.1851 56.2807 43.2758 176.9608 23 E 4.9442 7.7227 115.8570 55.2801 34.0385 174.4647 24 T 5.1741 8.7234 113.0548 60.2590 71.5978 172.7122 25 Y 5.0348 9.8660 121.6761 56.3336 42.4824 173.7093 26 E 4.7252 9.3795 122.0034 55.2972 30.9197 175.7574 27 A 3.9201 8.5044 122.2393 51.6265 24.1526 179.9584 28 G 4.0128 9.9196 105.3347 48.6969 0.0000 171.3674 29 I 5.2833 7.4768 118.0143 57.3534 40.2089 175.6429 30 V 3.7172 8.4379 127.4837 62.9351 30.8279 175.1314 31 L 4.5225 8.1603 127.1815 53.2380 43.0995 176.4024 32 K 4.2545 8.4196 121.7382 54.9060 32.7729 176.6132 33 G 3.7240 8.2679 108.7065 49.1491 0.0000 176.1878 34 S 3.9886 7.8697 113.0994 60.6414 63.6708 176.5456 35 E 3.8808 7.4225 121.1586 58.9813 29.4699 179.4741 36 V 3.7839 8.5501 118.8098 65.7164 31.6229 177.9390 37 K 3.9942 8.0404 119.1611 59.5428 31.8626 178.0932 38 S 4.5360 8.3239 112.0302 58.9792 62.6735 175.0017 39 L 4.5818 7.8240 122.1575 55.3421 43.7280 177.8072 40 R 4.4638 7.9724 117.2618 58.3190 30.7693 177.7493 41 E 3.8719 8.4371 115.5813 57.2668 29.1676 176.9007 42 K 4.4460 7.9204 124.6731 55.9704 30.8538 177.5213 43 G 3.7830 7.8900 101.9391 45.5818 0.0000 173.0629 44 T 4.4573 8.1591 113.4575 61.7067 70.5585 173.6851 45 V 5.8411 8.3223 121.3586 61.3092 34.2509 173.3956 46 S 4.6648 9.0015 117.2344 56.5366 67.1173 173.9943 47 F 5.2333 8.5061 118.4297 57.1690 39.2759 175.2128 48 K 4.1792 8.2587 122.7611 57.8347 32.0264 175.9003 49 D 4.5788 8.8944 124.9998 55.3952 38.5077 173.2201 50 S 4.8467 7.9920 113.3135 57.7847 63.6317 172.9042 51 F 4.9971 7.8522 119.3709 55.9346 41.6321 172.5007 52 V 4.9913 8.3061 118.5192 61.2335 33.8981 174.8600 53 R 4.9190 9.5712 125.3024 54.6491 34.5546 174.7382 54 I 5.3965 8.5248 122.9862 58.4399 37.7677 175.5925 55 E 4.8439 9.0256 135.0000 55.6361 28.0547 180.5202 56 N 4.4698 9.0975 124.7429 55.5591 36.2522 174.5609 57 G 3.9529 8.4269 107.2655 46.0810 0.0000 170.4874 58 E 4.6008 8.1062 118.7306 54.6772 32.8381 174.3754 59 A 5.2136 7.9752 121.2526 50.1189 21.9264 175.2532 60 W 5.0907 9.7441 122.6784 54.6808 33.2638 174.3527 61 L 4.6606 8.6771 126.5844 54.2323 42.2007 176.3981 62 Y 3.9591 8.8124 125.4629 59.0572 38.5867 175.8834 63 N 5.0316 7.1966 115.2489 51.8815 37.9523 174.0298 64 L 4.7339 7.6641 121.1079 53.7831 44.1806 175.7163 65 Y 4.6102 8.6922 128.7825 56.9165 39.8784 173.7978 66 I 4.4666 7.5564 127.8513 58.6627 39.5838 175.0611 67 A 3.8875 8.4223 133.1132 51.2304 18.6426 175.6417 68 P 4.5893 0.0000 0.0000 62.7167 32.4645 174.2871 69 Y 4.8864 8.0515 118.3220 55.7284 41.9876 175.0575 70 K 3.9640 6.2111 122.9580 57.1589 29.6497 176.3813 71 H 4.6742 7.5164 112.4620 54.1876 31.1228 169.6877 72 A 3.3078 7.9666 130.2494 51.4852 16.8573 177.6958 *76 N 4.2722 8.5011 120.3219 54.9378 39.1709 172.1452 77 H 3.8992 8.7337 126.9189 56.3515 27.4550 172.6475 78 D 4.4006 7.8041 120.2258 53.2478 41.9202 174.9572 79 P 4.1832 0.0000 0.0000 64.6572 31.7385 177.8193 80 L 4.2896 7.6363 116.6167 56.1345 42.9203 179.2482 81 R 3.1917 7.2794 113.9751 54.1877 28.6980 175.7197 82 K 3.8925 8.3991 125.3741 56.5234 32.4915 176.4724 83 R 4.8733 8.6637 125.0478 54.3167 32.7291 175.9165 84 K 3.7818 8.2758 121.7233 55.8300 34.6885 175.1974 85 L 4.9883 7.8699 122.1850 53.1659 44.1363 176.2946 86 L 4.2584 9.6990 124.0288 53.5351 42.3492 177.1217 87 L 4.4878 8.0321 122.6706 54.8807 44.1232 171.2826 88 H 4.2589 8.3312 122.3623 55.6441 27.8141 175.0748 89 K 3.8336 8.9517 125.7152 59.8246 31.9810 178.6517 90 R 3.9635 8.0462 115.2222 59.1295 29.0940 178.4076 91 E 4.1612 8.5463 120.1296 59.7643 29.5945 178.2828 92 I 3.8249 8.0141 119.5623 63.8537 37.0492 177.9219 93 M 3.9214 8.6018 119.1581 58.9723 32.0505 178.8480 94 R 3.9631 8.2263 118.4596 59.4963 30.2523 178.0460 95 L 3.9069 8.5780 118.7977 58.3510 41.5733 178.6965 96 Y 4.0764 8.4684 118.2447 61.8265 38.9963 178.1748 97 G 3.7907 9.2677 104.3651 48.1379 0.0000 175.5549 98 K 4.2771 8.2794 118.6275 58.5534 32.5867 178.7268 99 V 3.6177 7.7232 118.5275 64.6894 30.8308 177.8867 100 Q 3.9182 8.8779 117.3603 57.1152 27.8222 180.4206 101 E 3.5484 7.8311 124.2099 58.9633 33.0910 174.8163 102 K 4.0971 7.7294 114.4180 55.2200 33.0689 177.8459 103 G 3.9828 9.3550 107.0703 45.3875 0.0000 173.3723 104 Y 4.5698 6.5968 116.2318 58.6864 38.6670 175.3398 105 T 4.7793 9.2373 113.3433 60.7522 71.5965 172.6113 106 I 5.2298 8.6092 126.4480 58.8046 39.5981 174.6109 107 I 4.6538 7.9241 120.0476 58.0009 41.3479 172.6359 108 P 4.6449 0.0000 0.0000 62.8865 31.6770 175.8199 109 L 4.6921 9.1127 123.9221 55.5390 43.9069 176.1759 110 K 5.0801 7.2574 115.6477 56.5603 35.4335 173.6663 111 L 5.1999 8.6421 121.2508 53.3050 45.0154 175.3948 112 Y 5.1090 8.6815 119.7578 56.2624 42.0042 173.0800 113 W 5.3122 9.5640 120.3439 55.7326 31.5669 176.2884 114 K 4.7663 9.0660 125.1646 55.3040 32.8392 175.1275 115 N 4.1048 8.5279 126.7399 55.6386 35.5904 174.6676 116 N 3.9505 8.0057 106.8758 53.8819 37.2844 174.6146 117 K 4.8061 7.8921 115.9016 54.4531 34.4443 175.9399 118 V 3.9084 8.3165 124.0234 62.7869 32.3766 175.1985 119 K 4.7030 8.8230 125.4240 54.7575 37.2940 175.2892 120 V 4.5579 7.8831 121.7507 59.7451 34.3284 174.1608 121 L 4.6076 8.6586 128.1219 54.5363 43.2296 175.2543 122 I 4.9220 9.0723 126.7053 59.4313 40.5426 174.5611 123 A 4.9616 8.7303 127.3590 49.9595 23.1855 174.8947 124 L 4.5151 8.7082 121.2744 53.5529 43.8376 175.2131 125 A 5.1524 9.3980 128.7026 50.2471 23.0324 174.1507 126 K 4.9546 8.4629 119.8215 55.0130 35.5516 174.9454 127 G 4.3527 8.7213 107.5763 44.1222 0.0000 173.0607 128 K 4.2895 8.3220 116.7545 55.5236 33.4685 177.5995 129 K 4.3412 8.3406 121.2091 55.8109 30.5391 176.0322 130 L 3.9711 7.7830 120.6820 55.2674 41.7910 174.2233 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 8.33 4.45 0.00 3.99 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 4 D 7.60 4.50 0.00 2.69 2.58 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 5 K 8.05 4.41 0.00 1.70 1.71 0.00 1.58 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.42 7.81 6 I 8.23 4.98 1.76 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.51 0.82 0.00 0.00 7 I 8.63 4.64 2.12 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 1.25 0.80 1.03 0.00 0.00 8 P 0.00 4.72 0.00 1.99 2.05 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 9 I 8.24 4.52 1.93 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.87 0.00 0.00 10 A 7.58 4.31 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.80 4.77 0.00 1.81 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 2.28 2.30 0.00 12 N 8.38 4.61 0.00 3.46 2.96 0.00 0.00 7.17 6.97 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 13 K 8.43 4.14 0.00 1.91 1.86 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.53 1.53 7.81 14 E 8.02 4.54 0.00 2.18 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 2.35 2.34 0.00 15 A 7.61 4.81 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.51 4.07 0.00 1.81 1.92 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.60 7.81 17 A 8.05 4.78 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 18 K 8.15 4.42 0.00 1.54 1.51 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.46 7.81 19 Y 7.71 5.19 0.00 3.10 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 20 D 8.26 4.22 0.00 2.88 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 21 I 8.14 4.02 1.88 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 1.42 0.32 0.92 0.00 0.00 22 L 8.09 4.49 0.00 1.52 1.48 0.04 0.61 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 23 E 7.72 4.94 0.00 1.82 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 2.34 2.25 0.00 24 T 8.72 5.17 4.31 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 1.24 0.00 0.00 25 Y 9.87 5.03 0.00 2.59 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 26 E 9.38 4.73 0.00 2.04 1.88 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 2.27 2.48 0.00 27 A 8.50 3.92 1.06 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 28 G 9.92 4.01 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 0.00 0.00 0.00 29 I 7.48 5.28 1.74 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 1.07 0.55 0.75 0.00 0.00 30 V 8.44 3.72 1.97 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 0.74 0.00 0.00 0.80 0.00 0.00 31 L 8.16 4.52 0.00 1.52 1.51 0.77 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.42 4.25 0.00 1.77 1.57 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 33 G 8.27 3.72 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 34 S 7.87 3.99 0.00 4.11 4.11 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 35 E 7.42 3.88 0.00 2.08 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 2.12 2.06 0.00 36 V 8.55 3.78 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 1.33 0.00 0.00 1.00 0.00 0.00 37 K 8.04 3.99 0.00 1.88 1.89 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.60 7.81 38 S 8.32 4.54 0.00 4.25 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 0.00 39 L 7.82 4.58 0.00 1.93 1.81 0.75 0.77 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 40 R 7.97 4.46 0.00 2.10 1.95 0.00 3.16 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.18 0.00 41 E 8.44 3.87 0.00 1.83 1.69 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 1.47 1.92 0.00 42 K 7.92 4.45 0.00 1.84 2.26 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 1.30 7.81 43 G 7.89 3.78 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 0.00 0.00 0.00 44 T 8.16 4.46 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 1.27 0.00 0.00 45 V 8.32 5.84 2.13 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 0.76 0.00 0.00 1.05 0.00 0.00 46 S 9.00 4.66 0.00 3.90 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 47 F 8.51 5.23 0.00 3.19 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 48 K 8.26 4.18 0.00 1.78 1.81 0.00 2.00 0.00 0.00 1.78 0.00 0.00 3.23 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.44 7.81 49 D 8.89 4.58 0.00 2.98 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 50 S 7.99 4.85 0.00 4.11 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 51 F 7.85 5.00 0.00 3.21 3.13 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 52 V 8.31 4.99 2.21 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 0.87 0.00 0.00 0.84 0.00 0.00 53 R 9.57 4.92 0.00 2.26 2.08 0.00 3.22 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.00 0.00 54 I 8.52 5.40 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.80 1.16 0.00 0.00 55 E 9.03 4.84 0.00 2.26 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 2.34 2.46 0.00 56 N 9.10 4.47 0.00 2.86 2.85 0.00 0.00 6.80 7.58 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 57 G 8.43 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 58 E 8.11 4.60 0.00 2.00 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 2.19 2.67 0.00 59 A 7.98 5.21 1.13 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 0.00 0.00 60 W 9.74 5.09 0.00 3.05 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 61 L 8.68 4.66 0.00 1.61 1.41 0.68 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.81 3.96 0.00 1.55 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.20 5.03 0.00 2.73 2.90 0.00 0.00 6.81 7.78 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 64 L 7.66 4.73 0.00 1.56 1.51 0.72 0.91 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 65 Y 8.69 4.61 0.00 3.09 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 66 I 7.56 4.47 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.90 0.00 0.00 67 A 8.42 3.89 1.43 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 0.00 0.00 68 P 0.00 4.59 0.00 2.21 1.93 0.00 3.71 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 69 Y 8.05 4.89 0.00 2.89 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 70 K 6.21 3.96 0.00 0.79 1.41 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.60 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.95 1.05 7.81 71 H 7.52 4.67 0.00 3.14 3.26 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.97 3.31 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 *76 N 8.50 4.27 0.00 2.74 2.85 0.00 0.00 7.22 7.89 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 77 H 8.73 3.90 0.00 3.30 3.33 0.00 5.80 0.00 0.00 0.00 0.00 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.80 4.40 0.00 2.82 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 79 P 0.00 4.18 0.00 2.31 1.75 0.00 3.65 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 2.17 1.94 0.00 80 L 7.64 4.29 0.00 1.85 1.77 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.28 3.19 0.00 2.08 2.22 0.00 3.18 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 82 K 8.40 3.89 0.00 1.15 1.01 0.00 1.48 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.26 7.81 83 R 8.66 4.87 0.00 1.67 1.75 0.00 3.21 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 84 K 8.28 3.78 0.00 1.07 0.74 0.00 1.39 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.17 1.09 7.81 85 L 7.87 4.99 0.00 1.35 1.52 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.70 4.26 0.00 1.45 1.53 0.81 0.22 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 87 L 8.03 4.49 0.00 1.48 1.57 1.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 88 H 8.33 4.26 0.00 3.63 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.95 3.83 0.00 1.86 1.83 0.00 1.60 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.58 7.81 90 R 8.05 3.96 0.00 2.03 2.18 0.00 3.16 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 91 E 8.55 4.16 0.00 2.54 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 2.25 2.33 0.00 92 I 8.01 3.82 2.07 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 1.66 0.73 1.03 0.00 0.00 93 M 8.60 3.92 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 94 R 8.23 3.96 0.00 2.17 2.30 0.00 3.25 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 95 L 8.58 3.91 0.00 1.92 1.71 0.84 0.09 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 96 Y 8.47 4.08 0.00 2.98 3.29 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 0.00 97 G 9.27 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 98 K 8.28 4.28 0.00 2.02 2.11 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.69 1.70 7.81 99 V 7.72 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 0.99 0.00 0.00 0.97 0.00 0.00 100 Q 8.88 3.92 0.00 2.11 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 5.99 0.00 0.00 0.00 0.00 0.00 1.97 2.36 0.00 101 E 7.83 3.55 0.00 2.02 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 2.26 2.46 0.00 102 K 7.73 4.10 0.00 0.86 0.85 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.59 7.81 103 G 9.36 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 0.00 104 Y 6.60 4.57 0.00 2.97 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 0.00 105 T 9.24 4.78 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 1.44 0.00 0.00 106 I 8.61 5.23 1.87 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 0.94 1.76 0.86 0.00 0.00 107 I 7.92 4.65 1.61 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.32 0.42 0.00 0.00 108 P 0.00 4.64 0.00 1.41 1.74 0.00 3.61 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 109 L 9.11 4.69 0.00 1.58 1.78 0.93 -0.51 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 0.00 110 K 7.26 5.08 0.00 1.97 1.98 0.00 1.71 0.00 0.00 2.12 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.31 7.81 111 L 8.64 5.20 0.00 1.63 1.48 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.68 5.11 0.00 3.02 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 0.00 113 W 9.56 5.31 0.00 3.31 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 0.00 114 K 9.07 4.77 0.00 1.85 1.84 0.00 2.12 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.40 7.81 115 N 8.53 4.10 0.00 3.07 2.92 0.00 0.00 7.05 6.80 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 0.00 116 N 8.01 3.95 0.00 2.76 2.74 0.00 0.00 7.02 7.61 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 0.00 117 K 7.89 4.81 0.00 2.14 1.77 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.66 7.81 118 V 8.32 3.91 1.80 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 0.17 0.00 0.00 0.39 0.00 0.00 119 K 8.82 4.70 0.00 1.67 1.45 0.00 1.89 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.62 7.81 120 V 7.88 4.56 1.85 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 0.56 0.00 0.00 0.73 0.00 0.00 121 L 8.66 4.61 0.00 1.61 1.53 1.02 0.74 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 0.00 122 I 9.07 4.92 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.58 0.77 0.00 0.00 123 A 8.73 4.96 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 0.00 124 L 8.71 4.52 0.00 1.43 1.33 0.84 1.12 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 0.00 125 A 9.40 5.15 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 0.00 126 K 8.46 4.95 0.00 1.97 1.79 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.67 7.81 127 G 8.72 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 0.00 128 K 8.32 4.29 0.00 1.70 1.84 0.00 2.01 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.52 7.81 129 K 8.34 4.34 0.00 1.93 2.02 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.44 7.81 130 L 7.78 3.97 0.00 1.72 1.59 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.