NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2977 8.1749 117.3716 63.5010 70.5402 174.0891 4 I 4.0005 7.6518 121.4536 60.7008 37.8703 173.8678 5 R 4.4793 9.5770 127.5796 54.3286 33.0867 174.9999 6 R 4.9104 8.1626 122.0104 54.6467 32.4163 174.7386 7 Y 4.7082 8.9183 121.8587 56.0999 41.7850 174.9816 8 D 4.2317 8.5044 118.0735 55.3583 39.4697 173.8186 9 V 3.9152 7.6289 117.7470 62.4777 32.9229 174.4049 10 N 4.7646 8.8054 126.1128 51.6807 39.2603 174.9553 11 E 3.9650 8.7148 126.4293 59.5680 29.9111 179.5347 12 D 4.3332 8.1948 116.9629 56.8277 40.9177 177.1896 13 R 4.2206 8.1614 116.6993 55.2185 30.9964 175.6037 14 G 4.0163 7.5582 105.4223 47.1157 0.0000 172.2364 15 H 5.0794 8.0349 112.1838 54.2750 33.1721 173.4460 16 T 4.7644 8.4109 115.6731 61.7090 70.0915 174.9514 17 G 3.7329 8.9497 114.1617 48.3694 0.0000 173.3777 18 L 5.3303 8.4141 123.0165 53.6457 45.9887 174.8864 19 V 4.8701 9.1662 126.9607 61.2316 34.0407 173.6737 20 E 4.6406 9.5314 129.4616 54.8434 31.4590 174.5814 21 A 4.6934 8.9148 128.6832 49.7110 21.7749 177.3496 22 G 3.8582 8.8061 113.6323 48.1736 0.0000 173.7341 23 D 4.6237 8.8614 125.7830 53.5164 41.3842 175.0984 24 F 5.3327 8.2815 119.0215 55.8030 42.4138 174.2247 25 Y 5.1284 8.8959 118.7427 56.6059 41.5732 173.9353 26 Y 4.9889 9.5718 122.9552 56.2572 40.0860 175.0336 27 L 4.8380 8.6631 125.5164 53.8945 42.6476 176.8320 28 N 4.6832 8.7486 122.6721 53.0530 39.9297 173.9149 29 Y 4.4576 8.5443 120.1402 58.2701 38.3602 175.5393 30 C 4.9130 9.5693 120.5108 58.2926 31.4219 173.0384 31 V 4.6314 7.9274 120.2512 62.0751 34.2260 173.4053 32 G 3.9765 8.8969 112.4330 45.7632 0.0000 172.3894 33 N 4.0205 8.4126 113.9531 53.8588 36.2634 175.2162 34 V 4.0243 7.6776 115.3903 62.1820 32.9474 175.5949 35 G 4.1949 8.8835 109.2576 45.4164 0.0000 173.8804 36 Q 4.6703 7.2636 117.6834 54.3735 30.3023 175.1990 37 D 4.6599 8.1922 119.2333 52.9316 41.5516 176.9023 38 I 3.6322 8.2274 118.9274 64.2756 37.8798 177.1942 39 E 3.8625 8.1094 119.5025 59.4705 29.5314 178.7842 40 S 4.1338 8.3324 115.1482 61.7915 62.8847 176.7955 41 Q 4.4163 8.0355 122.0515 58.2157 28.4109 178.8318 42 I 2.9927 7.6300 121.0082 64.2154 37.0140 178.1842 43 N 4.5837 8.2230 117.4603 56.2853 38.4183 177.7460 44 G 3.6123 8.6153 107.4317 47.6403 0.0000 175.7292 45 A 4.0511 7.9024 122.2821 54.9882 18.5172 179.4227 46 F 4.7689 7.8908 115.3168 60.8438 39.1753 177.1108 47 D 4.6092 8.6505 119.0540 57.2207 40.9485 178.0569 48 E 4.3349 8.0472 119.3627 56.6465 30.2638 178.2552 *50 E 4.1915 8.1300 118.6257 56.2115 31.8702 178.4747 51 R 3.8610 8.2257 117.4942 59.5718 30.1985 178.4971 52 R 4.0499 8.1162 117.7246 59.3369 30.0043 179.1170 53 L 3.8625 7.8567 118.0291 57.5787 41.6389 179.2008 54 A 3.9856 8.1084 120.4936 54.6387 17.9934 179.5642 55 L 3.9494 7.4407 117.2317 56.8818 41.5557 178.4183 56 V 4.0094 7.1184 109.7641 60.7431 31.9301 175.7395 57 G 3.7282 7.7895 106.6823 46.4522 0.0000 174.0572 58 L 4.5471 7.7356 118.9437 52.6625 44.3022 175.2171 59 T 4.6354 7.5791 108.7166 59.5989 72.1043 174.5688 60 L 3.8158 8.1550 119.8760 57.5281 41.5145 179.2219 61 D 4.2952 7.4670 116.4204 56.6579 41.2148 176.7381 62 A 4.3448 8.0486 120.4684 52.3215 19.3099 176.8260 63 V 4.2410 7.5627 117.1850 62.7773 32.1026 175.8795 64 V 4.3248 8.8017 120.3050 62.4790 34.1365 175.0085 65 Q 5.7852 7.5617 119.4236 55.4568 33.1698 172.3457 *67 D 4.8920 8.5005 118.5048 54.4382 42.6144 174.5640 68 C 4.9370 9.0102 121.2143 57.8491 31.0861 172.7278 69 L 5.0482 8.3101 124.4220 53.0775 43.5756 175.4558 70 F 5.5311 9.1595 123.2262 55.6428 41.4993 176.9397 71 R 4.0811 9.2169 123.3143 58.1678 30.9882 175.7322 72 D 4.9893 8.3255 118.4113 51.9820 42.6405 176.0038 73 V 3.2738 9.2771 127.9287 63.3695 31.5438 178.1283 74 W 4.1763 8.0771 119.5179 58.3147 29.0181 176.8230 75 N 4.7102 8.0175 116.3406 53.3766 37.7750 176.4404 76 I 3.5364 6.7743 122.5759 64.3023 37.5165 175.9202 77 P 4.4152 0.0000 0.0000 65.3573 30.7698 178.6554 78 V 3.5470 7.3928 113.9799 63.6441 31.0993 176.3919 *80 E 4.3445 8.2724 119.7280 55.9624 31.1428 178.4115 81 K 3.7885 7.8861 116.0802 57.6247 32.1968 178.0584 *83 I 4.2437 7.8808 119.3875 61.0337 38.7875 178.2257 84 K 4.2404 8.0438 118.0701 59.4326 32.0211 178.4673 85 E 4.2240 8.1193 117.6914 58.3571 29.5702 177.8060 86 R 4.4474 7.9533 115.4053 56.5561 32.3266 176.5674 87 F 4.2000 8.8639 115.4430 56.6147 39.2707 175.2823 88 N 4.2268 8.9985 117.8996 54.6684 36.9467 174.7831 89 G 3.5583 8.4466 102.1685 45.1321 0.0000 174.2163 90 R 4.1411 7.5397 118.3559 54.4306 31.5256 174.5901 91 Y 4.8336 7.9174 120.5535 55.3846 40.3036 174.1239 92 P 4.7952 0.0000 0.0000 61.8626 33.2296 175.4943 93 A 4.4377 8.7604 122.4398 52.3937 19.5275 176.6999 94 R 4.9788 8.2213 115.2773 55.3992 32.7049 173.7737 95 K 4.8009 8.4647 117.1221 55.7117 36.3310 174.9443 96 S 5.3964 8.6392 116.0968 57.0230 66.3773 173.6574 97 I 4.7146 9.0364 123.4667 59.6300 41.3966 173.9150 98 Q 5.0451 8.6091 126.7785 55.2721 30.0638 174.4708 99 T 4.5132 8.5745 119.5079 60.7061 71.2305 172.9698 100 E 3.9429 8.5577 126.4097 56.3114 30.2558 176.2656 101 F 4.9420 8.1167 118.7155 55.6385 42.2630 175.5863 102 A 4.4413 8.3755 124.6396 51.6167 17.7655 177.0201 103 H 4.9537 7.6569 119.0343 55.2790 33.4408 173.5105 104 H 4.3302 8.8785 120.0206 56.1152 29.6853 175.0608 105 G 4.1671 8.6870 109.9987 47.4055 0.0000 172.4682 106 G 4.1045 8.7275 109.5622 44.2706 0.0000 170.1715 107 P 4.4449 0.0000 0.0000 64.5255 31.7675 175.7797 108 Q 4.0430 8.4190 119.1854 55.8050 26.4166 173.9603 109 G 4.1698 7.8603 106.4659 43.7331 0.0000 173.4108 110 L 4.3581 7.9994 121.6438 54.1634 42.8077 176.1081 111 L 5.0433 9.2854 123.9097 54.6084 44.5298 175.8898 112 F 5.2998 7.6834 119.3851 57.1837 42.3576 173.0313 113 Q 4.5961 8.0995 123.5103 54.1134 33.6026 174.2442 114 V 4.7950 8.2173 119.5383 60.3172 35.2565 174.0739 115 D 4.9872 9.2061 121.5111 52.8153 43.1128 173.5431 116 G 4.0843 7.7023 102.7668 46.9633 0.0000 171.3748 117 V 4.9837 8.1360 118.3893 61.0916 35.0199 174.8239 118 A 5.4308 9.2204 128.4967 50.3941 22.8586 174.0079 119 Y 5.0221 8.8414 119.5312 56.2492 41.8519 174.7122 120 S 4.1216 8.3013 120.1296 56.7667 66.1680 173.8409 121 K 3.7230 8.3070 130.6638 57.9576 32.8754 176.7827 *122 H 4.4031 8.2192 119.1009 55.0490 28.4374 175.8307 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 T 8.17 4.30 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 1.21 0.00 0.00 4 I 7.65 4.00 1.84 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 1.32 0.56 0.92 0.00 0.00 5 R 9.58 4.48 0.00 1.72 1.34 0.00 3.08 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 6 R 8.16 4.91 0.00 1.54 1.77 0.00 3.10 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 7 Y 8.92 4.71 0.00 2.89 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 8 D 8.50 4.23 0.00 2.98 2.73 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 9 V 7.63 3.92 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 0.88 0.00 0.00 0.92 0.00 0.00 10 N 8.81 4.76 0.00 2.62 2.28 0.00 0.00 6.97 7.98 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 11 E 8.71 3.96 0.00 2.02 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 0.00 2.39 2.27 0.00 12 D 8.19 4.33 0.00 2.81 2.74 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 13 R 8.16 4.22 0.00 1.89 1.73 0.00 3.50 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 14 G 7.56 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 15 H 8.03 5.08 0.00 3.22 3.41 0.00 5.41 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.41 4.76 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 1.34 0.00 0.00 17 G 8.95 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 0.00 0.00 0.00 18 L 8.41 5.33 0.00 1.86 1.68 1.14 0.87 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 19 V 9.17 4.87 2.24 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 0.95 0.00 0.00 0.98 0.00 0.00 20 E 9.53 4.64 0.00 2.37 1.95 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 2.13 1.67 0.00 21 A 8.91 4.69 1.29 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 0.00 0.00 22 G 8.81 3.86 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 0.00 0.00 0.00 23 D 8.86 4.62 0.00 2.66 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 0.00 0.00 0.00 24 F 8.28 5.33 0.00 3.20 2.83 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 25 Y 8.90 5.13 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 26 Y 9.57 4.99 0.00 2.90 2.98 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 27 L 8.66 4.84 0.00 1.62 1.65 0.99 0.96 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 28 N 8.75 4.68 0.00 2.89 2.48 0.00 0.00 7.20 6.94 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 29 Y 8.54 4.46 0.00 2.92 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 30 C 9.57 4.91 0.00 2.85 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 31 V 7.93 4.63 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 0.71 0.00 0.00 0.87 0.00 0.00 32 G 8.90 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 0.00 0.00 0.00 33 N 8.41 4.02 0.00 2.98 2.87 0.00 0.00 6.58 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 34 V 7.68 4.02 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 0.63 0.00 0.00 0.83 0.00 0.00 35 G 8.88 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 0.00 0.00 0.00 36 Q 7.26 4.67 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 37 D 8.19 4.66 0.00 2.96 2.83 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 38 I 8.23 3.63 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 0.94 0.00 0.00 39 E 8.11 3.86 0.00 2.06 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 2.38 2.40 0.00 40 S 8.33 4.13 0.00 4.02 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 41 Q 8.04 4.42 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 42 I 7.63 2.99 1.65 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.33 0.00 0.00 43 N 8.22 4.58 0.00 2.91 2.91 0.00 0.00 6.96 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 44 G 8.62 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 45 A 7.90 4.05 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 46 F 7.89 4.77 0.00 3.23 3.03 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 47 D 8.65 4.61 0.00 2.90 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 48 E 8.05 4.33 0.00 2.13 1.90 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 2.29 2.38 0.00 *50 E 8.13 4.19 0.00 2.22 1.96 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 2.17 2.46 0.00 51 R 8.23 3.86 0.00 1.85 2.10 0.00 3.26 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 1.63 1.66 0.00 52 R 8.12 4.05 0.00 1.97 1.97 0.00 3.28 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 53 L 7.86 3.86 0.00 1.59 1.59 0.91 0.84 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 54 A 8.11 3.99 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 55 L 7.44 3.95 0.00 1.40 1.49 0.92 0.89 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 56 V 7.12 4.01 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 0.19 0.00 0.00 0.51 0.00 0.00 57 G 7.79 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 0.00 0.00 0.00 58 L 7.74 4.55 0.00 1.44 1.36 0.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.58 4.64 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 1.11 0.00 0.00 60 L 8.16 3.82 0.00 1.18 0.82 0.02 0.61 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 61 D 7.47 4.30 0.00 2.57 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 62 A 8.05 4.34 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 63 V 7.56 4.24 2.40 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 0.99 0.00 0.00 1.00 0.00 0.00 64 V 8.80 4.32 2.14 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 0.71 0.00 0.00 1.11 0.00 0.00 65 Q 7.56 5.79 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 *67 D 8.50 4.89 0.00 2.96 2.65 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 0.00 0.00 0.00 0.00 68 C 9.01 4.94 0.00 3.07 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 69 L 8.31 5.05 0.00 1.61 1.72 0.89 0.96 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 70 F 9.16 5.53 0.00 2.96 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 71 R 9.22 4.08 0.00 2.18 2.17 0.00 3.17 0.00 0.00 3.10 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 72 D 8.33 4.99 0.00 2.78 2.65 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 0.00 0.00 0.00 0.00 73 V 9.28 3.27 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 0.32 0.00 0.00 0.66 0.00 0.00 74 W 8.08 4.18 0.00 3.47 3.27 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 0.00 75 N 8.02 4.71 0.00 2.97 2.97 0.00 0.00 6.89 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 76 I 6.77 3.54 1.62 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 -0.21 0.85 0.00 0.00 77 P 0.00 4.42 0.00 2.17 2.12 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 78 V 7.39 3.55 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 0.75 0.00 0.00 0.99 0.00 0.00 *80 E 8.27 4.34 0.00 2.08 1.95 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 2.26 2.54 0.00 81 K 7.89 3.79 0.00 1.92 1.95 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.45 7.81 *83 I 7.88 4.24 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.73 0.51 0.00 0.00 84 K 8.04 4.24 0.00 1.94 1.96 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.43 7.81 85 E 8.12 4.22 0.00 2.00 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 2.39 2.52 0.00 86 R 7.95 4.45 0.00 1.77 1.77 0.00 3.33 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 87 F 8.86 4.20 0.00 3.47 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 88 N 9.00 4.23 0.00 2.75 2.79 0.00 0.00 7.10 7.98 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 89 G 8.45 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 4.14 0.00 1.70 1.78 0.00 3.19 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 91 Y 7.92 4.83 0.00 2.94 2.65 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 0.00 0.00 0.00 0.00 92 P 0.00 4.80 0.00 2.11 2.28 0.00 3.51 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 93 A 8.76 4.44 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 94 R 8.22 4.98 0.00 1.83 1.89 0.00 3.09 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 95 K 8.46 4.80 0.00 1.81 1.90 0.00 1.45 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.50 7.81 96 S 8.64 5.40 0.00 3.78 4.04 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 97 I 9.04 4.71 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.87 0.89 0.00 0.00 98 Q 8.61 5.05 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 99 T 8.57 4.51 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 0.79 0.00 0.00 100 E 8.56 3.94 0.00 1.89 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 0.00 2.23 2.23 0.00 101 F 8.12 4.94 0.00 3.00 2.79 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 0.00 102 A 8.38 4.44 1.29 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 0.00 0.00 103 H 7.66 4.95 0.00 3.11 3.13 0.00 5.94 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.88 4.33 0.00 3.26 3.42 0.00 5.50 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 0.00 105 G 8.69 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 0.00 106 G 8.73 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 0.00 0.00 0.00 107 P 0.00 4.44 0.00 2.08 2.06 0.00 3.87 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 2.15 0.00 108 Q 8.42 4.04 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 109 G 7.86 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 0.00 110 L 8.00 4.36 0.00 1.17 1.34 0.69 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.29 5.04 0.00 1.64 1.79 0.97 0.87 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 0.00 112 F 7.68 5.30 0.00 2.82 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 0.00 113 Q 8.10 4.60 0.00 1.76 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 1.83 1.44 0.00 114 V 8.22 4.80 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 0.92 0.00 0.00 1.18 0.00 0.00 115 D 9.21 4.99 0.00 2.94 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 0.00 116 G 7.70 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 0.00 117 V 8.14 4.98 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 0.87 0.00 0.00 0.94 0.00 0.00 118 A 9.22 5.43 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 0.00 119 Y 8.84 5.02 0.00 2.52 2.63 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 0.00 0.00 0.00 120 S 8.30 4.12 0.00 3.64 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.31 3.72 0.00 1.61 1.60 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.44 7.81 *122 H 8.22 4.40 0.00 3.10 2.94 0.00 7.29 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 * Residues marked with a * may have inaccurate shift predictions.