NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 5.4346 8.2348 116.5538 59.2107 64.4654 172.4230 3 H 4.8189 8.7047 118.8347 53.2160 34.1167 170.6798 4 S 4.5192 8.8936 115.1956 58.2151 63.0866 174.3558 5 L 4.4888 9.1059 129.4705 58.0725 41.9931 178.5791 6 K 4.0019 8.1596 119.2241 59.8420 32.1993 178.2283 7 D 4.4691 8.2741 119.0261 57.3581 40.7306 178.7430 8 F 3.7576 8.5469 121.0925 61.2693 39.1906 177.2309 9 L 4.0728 8.3038 117.5695 57.8811 41.6004 179.0542 10 E 4.1641 8.5148 118.3999 59.3795 29.4288 179.2692 11 A 4.0487 8.1216 120.7357 54.9712 18.3646 179.2309 12 C 4.0305 7.6752 115.0896 62.2086 28.0287 175.5508 13 E 4.3570 8.2355 122.7710 58.6239 28.9294 178.3102 14 T 4.0601 7.8139 108.2331 63.3616 69.0255 175.4630 15 L 4.4050 7.8469 121.0910 55.9080 42.4280 178.7291 16 G 3.7874 7.8865 107.1670 46.0226 0.0000 173.6020 17 T 4.0956 8.6332 118.6413 63.7801 69.5460 174.3797 18 L 5.2492 8.7385 125.9367 52.9237 45.9009 175.2803 19 R 4.8085 9.2092 120.3466 54.7020 32.3714 174.3626 20 L 4.7198 8.9047 128.2606 53.9182 43.2204 175.9716 21 I 4.9320 9.0163 125.7067 59.4476 40.1556 174.7825 22 V 4.7198 8.6704 127.0558 61.2734 34.3378 174.2175 23 T 5.1831 8.6546 123.8530 62.1085 71.1794 174.1524 24 S 4.8548 8.5745 122.5312 57.1120 65.3929 173.8321 25 S 4.2261 8.7191 112.8897 61.2887 62.9527 174.4314 26 A 4.6286 7.8874 118.7390 51.0502 20.6225 174.9441 27 A 4.8116 8.2019 118.5337 50.0387 22.3448 175.1498 28 V 4.8676 8.2096 118.7966 60.9699 34.6829 174.4456 29 L 4.8300 8.8847 129.1010 53.2325 45.1352 174.7013 30 E 5.2055 8.8199 124.2877 54.4986 32.6179 174.9026 31 A 4.5453 8.7514 126.3174 49.8226 22.3195 174.5793 32 R 4.5981 8.3812 121.7663 54.4629 31.4336 175.9471 33 G 4.3898 8.3962 115.5670 46.1151 0.0000 172.1139 34 K 4.7471 8.5615 120.1107 56.0274 33.4633 177.9293 35 I 4.1342 8.3198 124.4254 60.1789 36.0112 174.7782 36 E 4.8664 7.9431 121.6215 54.8021 32.7407 174.7991 37 K 3.8911 8.6603 115.1371 57.2700 29.7622 175.9986 38 L 4.3141 7.9294 116.9232 54.7462 42.5768 176.7905 39 F 5.0325 8.1433 116.4202 55.2867 41.4751 173.1771 40 Y 5.3131 8.7463 116.7861 56.6247 41.1760 174.8756 41 A 4.7669 8.9326 122.4094 50.8439 23.4213 174.9424 42 E 4.9085 8.9130 122.6252 55.1403 30.7336 175.6889 43 L 4.5923 9.0907 127.6898 52.6058 44.0965 177.4322 44 A 4.0327 8.5898 122.0547 55.5681 18.1067 178.9736 45 K 4.1895 8.3194 112.2039 57.1375 32.8689 177.0710 46 G 4.1218 7.1200 106.2623 43.5247 0.0000 171.5386 47 K 4.8636 8.5254 120.9731 56.0851 32.7204 176.7178 48 Y 4.8876 9.5044 122.9075 56.1215 41.2356 174.6021 49 A 4.7720 8.6640 124.5622 51.0755 21.6419 176.3110 50 N 5.0308 7.7335 116.6760 51.5444 43.3716 172.3504 *52 H 4.6016 8.6875 118.4668 56.8884 30.4889 172.9333 53 T 4.6236 8.0275 116.1186 59.2536 71.8097 173.8841 54 E 4.0336 8.6890 120.6785 59.3625 29.5225 179.1293 55 G 3.8440 7.9373 106.5849 47.7802 0.0000 173.1026 56 F 4.8568 7.7766 112.9794 55.7524 40.8089 172.1734 57 E 5.0059 8.7749 121.9411 54.4303 32.4704 174.6852 58 F 5.1471 8.5376 126.2749 56.8977 43.2572 172.8923 59 H 4.9155 8.1499 121.1939 53.8081 32.6553 172.3533 60 L 4.4733 8.6614 124.7497 53.1388 45.2596 175.7745 61 N 3.7451 8.2812 124.7373 52.5790 40.5960 175.0397 *63 E 4.3204 8.6568 118.6984 55.7740 31.2900 176.9306 64 K 4.2670 7.7245 117.1480 56.2223 32.8221 175.8786 65 I 4.4908 7.5147 121.1247 60.6263 37.5617 175.3058 66 T 4.3670 8.4812 116.4367 62.7684 70.2560 174.7599 67 Q 4.4497 7.4712 121.4232 54.6647 32.9326 173.0241 68 V 4.2232 7.8224 124.0299 60.6554 34.6647 174.3183 69 K 5.1063 8.3506 126.2714 54.5828 35.7858 175.1439 70 F 5.0223 9.3464 124.0639 56.7870 40.2757 175.3494 71 E 5.0019 9.9636 122.8884 55.0260 33.8605 174.3294 72 T 4.4413 8.8761 114.9088 60.6712 70.6930 174.1564 73 G 4.2596 8.6976 112.3104 44.4971 0.0000 170.0458 74 E 5.0019 8.4168 119.0993 53.8911 32.1919 176.1437 75 A 3.7353 8.4910 129.4190 51.4519 19.0651 178.3101 76 K 3.6015 8.7744 124.0924 60.2151 32.7623 178.4808 77 R 4.2843 8.0448 123.8830 57.4481 29.1748 176.4114 78 G 3.8286 10.3028 119.0727 44.2802 0.0000 173.4633 *79 N 4.2522 7.5627 115.6235 53.0917 35.6421 176.4099 80 F 5.0933 7.2672 112.9049 55.9184 41.1963 174.7549 81 T 4.4802 8.6135 117.2454 63.7898 69.0785 174.1431 82 T 4.8740 8.4761 115.9461 59.3097 72.5233 172.8766 83 Y 4.4953 8.4502 118.6993 56.1404 41.3848 174.2711 84 A 4.8833 9.2921 126.1154 49.8670 23.1465 174.5782 85 I 4.6536 8.6018 120.3720 59.5349 40.4632 174.7831 86 R 4.9796 8.6701 126.8108 54.4008 32.8758 175.3519 87 F 4.7090 9.4222 123.3204 55.9487 40.4862 174.9810 88 L 4.9611 8.9299 125.2219 53.8503 43.8058 177.1435 89 D 5.4197 8.7300 121.5910 51.1210 41.8099 176.6323 90 E 4.0656 8.6209 115.7233 58.7324 29.3300 177.3374 91 K 4.2684 8.5839 119.0302 55.8232 32.3088 176.8422 92 Q 3.5101 7.8975 116.6845 56.9647 26.8130 173.0561 93 E 4.6295 7.5046 113.2052 54.3260 31.6349 175.6211 94 S 4.5691 8.5712 117.1078 58.3695 62.6816 173.6358 95 A 4.5152 8.8875 130.0444 52.9505 19.7454 176.7724 96 L 4.6441 7.5090 114.9330 54.2873 45.7508 173.5447 97 S 5.4128 9.2065 121.7196 56.7626 66.8743 172.8830 98 L 5.2637 9.2963 124.2893 53.2786 44.0294 175.4480 99 F 5.3600 9.3028 123.4304 55.3499 41.8257 175.5744 100 L 4.4628 8.8260 123.0051 55.1777 42.1349 176.5681 101 Q 4.1434 9.0037 126.3072 54.9546 29.4414 175.6705 102 W 4.3956 8.3360 123.8962 55.6946 30.8065 175.9778 103 G 3.4213 9.0117 111.0312 46.7121 0.0000 176.2457 104 K 4.1874 5.8244 120.2410 54.7150 33.6738 174.8102 105 P 2.9700 0.0000 0.0000 63.9424 31.2206 177.4158 106 G 3.8095 6.5992 110.6927 45.3230 0.0000 172.3535 107 E 4.2459 7.6863 122.0416 54.8597 30.0573 174.6784 108 Y 5.0898 8.1073 122.2114 55.6976 41.9732 174.5465 109 E 4.2280 9.6486 120.4245 55.2955 30.1617 175.2710 110 P 4.4277 0.0000 0.0000 64.3718 31.8068 177.3707 111 G 4.0009 9.0249 110.5397 46.1994 0.0000 175.1353 112 Q 3.9222 8.2699 121.0657 59.3487 29.1142 178.2637 113 V 3.1862 7.6100 118.7674 65.8073 31.5064 177.6287 114 E 4.0626 8.1877 117.7745 59.3349 29.3132 178.9994 115 A 4.0135 8.2274 121.0541 54.7100 18.3586 179.5108 116 W 4.0778 8.1722 126.9524 61.1003 30.7527 177.9931 117 H 4.0969 8.5472 116.1467 59.0834 28.1161 177.9913 118 T 3.8061 8.1725 117.7451 66.5333 68.2229 176.4870 119 L 4.0289 8.0130 122.3220 57.9598 42.0716 178.8964 120 K 2.4800 7.4919 119.6426 58.8843 31.6672 178.7165 121 E 3.8612 7.8694 118.1386 59.0396 29.4146 178.9798 122 K 3.9023 7.8347 118.7788 59.5079 32.4063 177.9353 123 Y 3.6765 7.9449 115.2560 57.1861 38.5913 176.8784 124 G 4.1065 7.6806 106.1370 44.7979 0.0000 173.4453 125 E 4.2334 8.8394 120.0087 58.7087 30.7269 177.2823 126 V 5.0538 7.7719 118.0941 60.8892 34.5500 174.5864 127 W 5.3989 8.7035 123.4274 55.3410 32.4235 173.1158 128 E 4.7690 8.8230 119.0215 53.6794 32.1914 174.1539 129 P 5.2674 0.0000 0.0000 62.7315 32.2108 176.3020 130 L 4.4214 8.7406 123.2523 53.3723 42.8373 175.2653 131 P 4.1787 0.0000 0.0000 62.9977 31.6504 176.8049 132 V 3.7922 8.3483 123.1776 62.8634 31.9947 175.1227 133 Q 4.5679 8.2835 123.9400 54.5647 31.6087 174.6562 134 L 4.0518 8.4424 119.0499 55.0222 41.8366 176.5664 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 2 S 8.23 5.43 0.00 3.78 3.93 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 3 H 8.70 4.82 0.00 2.71 3.05 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.89 4.52 0.00 3.98 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 5 L 9.11 4.49 0.00 2.07 1.84 1.39 0.86 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 6 K 8.16 4.00 0.00 1.73 1.74 0.00 1.30 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 0.82 7.81 7 D 8.27 4.47 0.00 3.03 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 8 F 8.55 3.76 0.00 2.78 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 9 L 8.30 4.07 0.00 2.01 1.88 1.13 1.41 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 10 E 8.51 4.16 0.00 2.24 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 0.00 2.69 2.57 0.00 11 A 8.12 4.05 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 12 C 7.68 4.03 0.00 3.10 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 E 8.24 4.36 0.00 2.06 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 2.32 2.19 0.00 14 T 7.81 4.06 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 1.25 0.00 0.00 15 L 7.85 4.41 0.00 1.78 1.85 1.04 0.86 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 16 G 7.89 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 17 T 8.63 4.10 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 1.19 0.00 0.00 18 L 8.74 5.25 0.00 1.71 1.70 0.97 0.60 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 19 R 9.21 4.81 0.00 1.72 1.81 0.00 2.51 0.00 0.00 2.98 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.38 0.00 20 L 8.90 4.72 0.00 1.26 1.30 0.80 -0.09 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 21 I 9.02 4.93 2.03 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.01 0.96 0.00 0.00 22 V 8.67 4.72 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 1.03 0.00 0.00 1.04 0.00 0.00 23 T 8.65 5.18 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 1.30 0.00 0.00 24 S 8.57 4.85 0.00 3.96 3.92 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 25 S 8.72 4.23 0.00 4.01 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 26 A 7.89 4.63 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 27 A 8.20 4.81 1.23 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 0.00 0.00 0.00 28 V 8.21 4.87 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 0.87 0.00 0.00 0.94 0.00 0.00 29 L 8.88 4.83 0.00 1.77 1.44 0.91 0.67 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 30 E 8.82 5.21 0.00 1.77 1.72 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 2.16 2.24 0.00 31 A 8.75 4.55 0.38 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 0.00 0.00 32 R 8.38 4.60 0.00 1.70 1.78 0.00 3.25 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 33 G 8.40 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.75 0.00 1.68 1.77 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.49 7.81 35 I 8.32 4.13 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 0.97 0.00 0.00 36 E 7.94 4.87 0.00 2.03 1.89 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 2.34 2.33 0.00 37 K 8.66 3.89 0.00 1.92 1.96 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.46 7.81 38 L 7.93 4.31 0.00 1.60 1.15 1.13 0.89 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 39 F 8.14 5.03 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.75 5.31 0.00 2.94 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 41 A 8.93 4.77 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 42 E 8.91 4.91 0.00 2.06 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 2.28 2.40 0.00 43 L 9.09 4.59 0.00 1.76 1.52 0.13 0.58 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 44 A 8.59 4.03 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 45 K 8.32 4.19 0.00 1.97 1.97 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.44 7.81 46 G 7.12 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.53 4.86 0.00 1.65 1.82 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.63 7.81 48 Y 9.50 4.89 0.00 2.98 2.88 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 49 A 8.66 4.77 1.28 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 0.00 0.00 0.00 50 N 7.73 5.03 0.00 1.44 2.06 0.00 0.00 6.49 7.84 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 *52 H 8.69 4.60 0.00 3.29 3.35 0.00 5.86 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 53 T 8.03 4.62 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 0.72 0.00 0.00 54 E 8.69 4.03 0.00 2.21 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 2.31 1.88 0.00 55 G 7.94 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 56 F 7.78 4.86 0.00 3.16 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 57 E 8.77 5.01 0.00 1.98 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 2.14 2.32 0.00 58 F 8.54 5.15 0.00 3.29 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 H 8.15 4.92 0.00 2.93 3.06 0.00 5.69 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 60 L 8.66 4.47 0.00 1.27 1.19 0.80 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.28 3.75 0.00 2.18 2.40 0.00 0.00 7.17 7.65 0.00 0.00 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 E 8.66 4.32 0.00 2.08 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 2.19 2.28 0.00 64 K 7.72 4.27 0.00 1.91 1.78 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.31 7.81 65 I 7.51 4.49 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 1.46 0.85 0.97 0.00 0.00 66 T 8.48 4.37 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 1.17 0.00 0.00 67 Q 7.47 4.45 0.00 1.96 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 68 V 7.82 4.22 0.67 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 -0.17 0.00 0.00 -0.33 0.00 0.00 69 K 8.35 5.11 0.00 1.55 1.59 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.20 7.81 70 F 9.35 5.02 0.00 2.71 2.72 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 71 E 9.96 5.00 0.00 1.84 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 2.28 2.28 0.00 72 T 8.88 4.44 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 1.25 0.00 0.00 73 G 8.70 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 0.00 0.00 0.00 0.00 74 E 8.42 5.00 0.00 1.80 1.66 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 1.99 2.10 0.00 75 A 8.49 3.74 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.77 3.60 0.00 2.06 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.01 7.81 77 R 8.04 4.28 0.00 1.85 1.80 0.00 3.25 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.18 0.00 78 G 10.30 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 0.00 0.00 0.00 *79 N 7.56 4.25 0.00 2.92 2.78 0.00 0.00 6.94 7.12 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 80 F 7.27 5.09 0.00 2.98 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 81 T 8.61 4.48 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 0.71 0.00 0.00 82 T 8.48 4.87 4.58 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 0.78 0.00 0.00 83 Y 8.45 4.50 0.00 2.22 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 84 A 9.29 4.88 0.19 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 85 I 8.60 4.65 1.90 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 0.38 0.81 0.32 0.00 0.00 86 R 8.67 4.98 0.00 1.58 1.77 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 87 F 9.42 4.71 0.00 2.92 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 88 L 8.93 4.96 0.00 1.51 1.51 0.90 0.77 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 89 D 8.73 5.42 0.00 2.87 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 90 E 8.62 4.07 0.00 2.08 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 0.00 2.26 2.32 0.00 91 K 8.58 4.27 0.00 1.97 1.94 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.39 7.81 92 Q 7.90 3.51 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 93 E 7.50 4.63 0.00 2.33 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 2.24 2.29 0.00 94 S 8.57 4.57 0.00 3.86 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 95 A 8.89 4.52 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 96 L 7.51 4.64 0.00 1.77 1.45 0.96 0.50 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 97 S 9.21 5.41 0.00 4.04 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 98 L 9.30 5.26 0.00 1.71 1.69 1.12 0.80 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 99 F 9.30 5.36 0.00 3.10 3.26 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 0.00 100 L 8.83 4.46 0.00 1.61 1.72 0.23 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 9.00 4.14 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 102 W 8.34 4.40 0.00 3.08 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 0.00 103 G 9.01 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 5.82 4.19 0.00 1.81 1.65 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.46 1.28 7.81 105 P 0.00 2.97 0.00 1.76 1.57 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 106 G 6.60 3.81 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 0.00 107 E 7.69 4.25 0.00 1.87 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 2.19 2.22 0.00 108 Y 8.11 5.09 0.00 3.08 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 0.00 109 E 9.65 4.23 0.00 2.13 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 0.00 2.36 2.42 0.00 110 P 0.00 4.43 0.00 2.06 2.04 0.00 3.76 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 2.05 2.12 0.00 111 G 9.02 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 0.00 112 Q 8.27 3.92 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 113 V 7.61 3.19 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 0.52 0.00 0.00 0.24 0.00 0.00 114 E 8.19 4.06 0.00 2.28 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 2.42 2.46 0.00 115 A 8.23 4.01 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 0.00 116 W 8.17 4.08 0.00 3.30 3.19 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 0.00 117 H 8.55 4.10 0.00 3.51 3.38 0.00 5.87 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 0.00 118 T 8.17 3.81 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 1.20 0.00 0.00 119 L 8.01 4.03 0.00 1.91 1.81 0.93 0.35 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 0.00 120 K 7.49 2.48 0.00 0.79 1.28 0.00 1.48 0.00 0.00 0.94 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.91 0.37 7.81 121 E 7.87 3.86 0.00 2.02 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 0.00 2.27 2.39 0.00 122 K 7.83 3.90 0.00 1.79 1.96 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.90 1.24 7.81 123 Y 7.94 3.68 0.00 3.01 2.15 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 0.00 124 G 7.68 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 0.00 0.00 0.00 125 E 8.84 4.23 0.00 1.98 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 2.36 2.28 0.00 126 V 7.77 5.05 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 0.77 0.00 0.00 0.94 0.00 0.00 127 W 8.70 5.40 0.00 3.56 3.30 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 0.00 128 E 8.82 4.77 0.00 1.95 1.83 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 2.34 2.27 0.00 129 P 0.00 5.27 0.00 1.97 2.13 0.00 3.65 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.88 0.00 130 L 8.74 4.42 0.00 1.60 1.65 0.98 1.14 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 0.00 131 P 0.00 4.18 0.00 2.05 2.03 0.00 3.71 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 2.05 2.11 0.00 132 V 8.35 3.79 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 0.83 0.00 0.00 0.95 0.00 0.00 133 Q 8.28 4.57 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 134 L 8.44 4.05 0.00 1.62 1.48 1.00 0.63 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 * Residues marked with a * may have inaccurate shift predictions.