NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 G 3.9223 8.2127 109.7314 45.2581 0.0000 174.3826 31 E 3.8460 8.5087 118.6487 58.4150 29.4966 176.8860 32 G 2.8977 7.8354 105.7879 47.6406 0.0000 175.2265 33 T 3.7624 7.5948 111.7747 64.6063 68.8955 176.3200 34 D 4.2154 8.0715 121.6854 56.8243 40.8044 178.6977 35 A 3.6773 7.5912 121.2762 55.0526 18.1449 179.6037 36 I 3.5371 7.3649 117.1669 63.9440 37.9968 177.9266 37 Q 3.9396 8.1020 118.9926 59.0170 28.5612 178.9689 38 A 3.9801 7.7161 121.2075 55.1075 18.3445 179.6449 39 L 3.8151 7.7317 117.5014 57.8790 41.5780 179.8598 40 I 4.1560 8.1878 119.9578 64.7317 37.0768 178.4889 41 Q 4.1235 8.2974 118.6682 58.9840 28.4736 178.8447 42 A 4.0663 8.2665 121.8867 55.1058 18.3530 179.0141 43 Y 4.3201 8.6678 118.3050 61.2386 38.9497 178.4772 44 F 4.0982 8.9736 118.6971 60.8278 39.0219 177.8686 45 T 3.9471 8.4660 115.3349 66.5244 68.1748 176.5354 46 A 3.7430 8.1447 122.7712 54.7032 18.4126 179.3116 47 W 3.8720 8.1828 126.8388 60.9522 30.6179 178.0844 48 N 4.6972 8.7413 115.5805 55.5493 38.0556 176.5608 49 T 4.3254 7.7440 109.0533 60.1574 70.2215 174.2830 50 N 3.8823 7.6777 117.0044 55.2748 37.2257 175.0721 51 A 4.8554 8.0543 118.7664 49.0134 19.4793 176.1357 52 P 3.8077 0.0000 0.0000 64.4943 31.4082 178.1941 53 E 4.0220 8.0120 117.1684 58.8615 29.4706 178.4407 54 R 4.4117 7.6701 119.8314 57.2336 30.2946 178.4364 55 F 4.6709 7.9041 118.2122 60.4471 38.6326 177.2058 56 A 4.2117 8.2910 121.4741 55.0064 18.3011 178.7629 57 E 3.9800 8.0682 112.5609 57.8082 30.2495 177.9417 58 I 4.1796 7.9932 112.6315 60.2593 38.0702 174.7647 59 F 5.2730 7.5358 118.8966 55.4831 42.0013 175.2993 60 W 4.7000 8.7460 123.8596 55.8890 29.8044 175.9018 61 P 4.4337 0.0000 0.0000 65.7651 30.9507 177.5882 62 D 4.9547 8.3249 115.5931 53.3581 39.6388 176.3908 63 G 4.3907 8.4022 108.2150 47.1024 0.0000 172.8282 64 S 5.5949 9.3233 114.2461 57.0270 67.3988 172.4230 65 W 5.3851 9.0896 128.0783 56.3493 34.6962 173.1880 66 V 4.4063 7.8245 125.3819 61.0870 34.0762 175.0426 67 N 5.1247 8.0720 125.6813 51.5652 39.7099 176.1409 68 V 3.8236 8.5127 110.4468 63.3813 31.6507 177.6753 69 V 4.0800 7.9015 111.2570 60.4940 31.6699 172.7191 70 G 3.4100 7.9793 115.0719 45.3007 0.0000 173.1641 *72 H 4.5418 8.3887 124.8382 55.4562 30.9135 172.1731 73 W 5.3089 9.0771 126.5962 55.2111 31.4818 175.5219 74 R 4.7152 9.6602 124.0981 56.3706 31.5460 176.9318 75 G 4.1656 9.2307 109.6543 45.8108 0.0000 173.6884 76 R 3.8519 8.8985 120.5189 59.3270 29.9350 178.8553 77 D 4.3618 8.1141 118.2403 57.4797 40.7732 178.6682 78 Q 3.8572 7.9755 117.9276 58.8792 28.7684 178.5902 79 I 3.4995 7.5909 120.7768 64.4125 37.0376 178.7520 80 V 3.3578 7.8269 119.2551 65.6635 31.2886 177.6824 81 F 3.7640 8.2539 120.4048 61.2326 39.2134 177.0519 82 A 3.3029 7.6894 120.4331 55.1126 17.8145 179.2259 83 H 3.8841 7.6772 114.7387 59.1912 28.7118 178.1772 84 T 3.6640 7.9085 117.3928 66.4831 68.3782 176.4953 85 A 3.6089 7.4281 122.6400 55.2041 18.2499 179.7655 86 F 4.4280 7.8119 116.1137 60.5551 39.0492 178.1266 87 L 3.9108 8.0917 118.8790 57.3918 41.0807 179.3433 88 K 4.0211 7.9738 119.1012 56.5824 32.6534 177.4069 89 T 4.1816 7.6710 104.9904 61.4991 69.0361 176.1842 90 I 3.6709 9.0038 115.2397 62.7738 38.7011 177.5342 91 F 5.1352 8.2159 119.0863 56.8827 39.0469 177.4357 92 K 4.3040 7.8250 122.0829 58.8846 32.1615 177.4910 93 D 4.7831 8.1320 115.7882 53.7595 41.3063 175.2597 94 C 4.6384 8.0991 120.8404 57.8860 31.5080 173.2305 95 K 4.8973 9.3165 127.7153 55.8236 33.7942 176.0739 96 Q 5.0337 9.3848 122.0713 54.1941 31.1656 174.5799 97 E 4.6600 9.3091 126.0965 54.2230 31.6373 174.9840 98 L 4.0239 8.4644 127.5043 55.2595 41.8230 176.0240 99 V 4.2818 8.7082 123.8070 64.2168 32.8316 175.7475 100 T 4.7539 7.5346 109.0858 60.0593 72.4613 171.9767 101 I 4.5968 8.3022 123.5287 59.7737 40.0784 175.1602 102 E 4.5720 9.1836 127.2617 54.4189 30.5130 174.4013 103 A 5.3445 8.2443 125.3073 50.1720 21.7795 175.5349 104 R 4.6631 8.7228 115.7900 55.2050 33.3634 174.6350 105 T 4.6401 8.5122 117.7390 63.5332 69.1614 174.7263 106 I 4.3851 8.2186 117.4199 60.9336 39.7241 175.0687 107 A 4.4980 7.4865 121.7970 50.3623 21.6489 173.4577 108 P 4.4994 0.0000 0.0000 64.1684 31.7590 177.2399 109 G 3.5701 9.3207 110.1969 45.6078 0.0000 172.0748 110 S 5.3590 8.6158 114.0928 56.3392 65.7636 172.6538 111 A 5.3175 9.6873 128.3765 50.0534 22.4157 174.1670 112 L 5.2396 9.1895 123.7827 53.1243 45.1777 175.0231 113 A 5.1681 9.1910 127.4372 50.0925 22.7588 174.8093 114 V 4.5405 8.6727 121.8274 61.2819 33.6889 174.4650 115 V 4.8009 8.9911 128.8714 61.4980 33.9321 174.2600 116 T 5.1859 8.7903 124.8977 61.8605 70.5704 173.6322 117 L 5.2556 8.7776 125.5578 54.1324 45.0850 175.1107 118 I 4.6798 8.7003 120.7590 59.6497 39.6437 174.4338 119 Q 5.0080 8.9604 129.1346 54.1840 31.0590 174.8660 120 D 4.9732 8.7602 125.7163 53.9537 41.7338 176.1405 121 A 4.4367 8.5913 122.3371 53.0571 19.2143 176.0996 122 Y 4.7716 7.8945 116.0384 56.4354 40.6736 173.7570 123 V 4.4546 8.2429 119.7601 60.8907 33.8234 175.3421 124 T 4.3026 8.6133 117.5868 60.5417 69.5951 173.6338 125 P 4.2878 0.0000 0.0000 65.7713 31.3140 177.7309 126 D 4.4292 7.9923 115.1055 54.2508 39.7328 176.8190 127 G 4.1047 8.1040 108.8493 45.4820 0.0000 173.6127 128 R 4.1928 8.1475 119.3764 55.1166 30.9373 176.9034 129 Q 4.0990 8.1761 123.3869 54.3888 30.8282 172.5314 *131 P 4.1609 0.0000 0.0000 61.8658 32.2198 175.8379 132 R 4.2770 8.3771 118.6794 57.6338 30.3415 175.1911 133 A 4.7307 8.7106 125.4267 51.2371 23.4341 175.0070 134 H 4.9650 8.8997 116.4883 55.7880 30.4245 174.4434 135 D 5.3859 9.1018 121.5467 52.4930 44.7778 175.2622 136 R 4.7192 9.0660 121.7608 54.7008 32.6410 174.0073 137 L 4.9839 8.9275 129.7369 53.4601 44.8210 175.2328 138 T 4.6851 8.7342 123.9816 62.9210 70.0794 173.8142 139 L 4.9192 8.9333 125.8507 52.6350 45.7223 175.1690 140 L 5.3173 9.0223 124.7860 53.2557 44.9917 174.7946 141 A 5.6785 9.5149 128.1178 50.4313 22.4223 175.2861 142 V 4.9542 9.1211 113.5152 59.5840 36.1424 174.1797 143 E 4.5453 8.2318 124.8414 54.5747 31.4454 175.2348 144 R 4.3988 8.7569 125.2966 55.4890 33.5525 175.2946 145 E 3.6512 9.8810 123.7014 57.4944 27.0301 175.8542 146 G 4.1411 8.3528 104.4966 44.3217 0.0000 173.5001 147 V 4.6161 7.7720 119.9863 60.8190 34.3355 174.1819 148 W 5.5228 8.9800 126.5676 55.5250 31.1799 175.4315 149 R 4.3239 8.7840 120.8091 54.1925 34.8473 174.3629 150 F 5.1000 8.4173 120.1475 58.1257 39.5435 176.1656 151 I 4.6838 9.3664 122.8172 62.3906 40.1194 174.4162 152 H 6.0290 7.7092 119.2028 56.2626 33.2243 172.5330 153 G 3.3884 7.9765 109.4278 44.5802 0.0000 170.8789 154 H 4.7639 8.2672 121.4332 54.2858 33.5172 171.5630 155 N 5.4153 8.8041 124.1161 52.1457 42.2529 173.1445 156 T 4.8137 8.4342 120.3745 61.7572 73.1634 173.2812 157 I 4.3760 8.3914 126.5660 61.1242 38.1353 175.7542 158 V 3.7886 8.6567 128.1080 62.3977 31.9799 175.1634 159 N 4.6141 8.7866 127.7164 52.1016 38.7314 173.6448 160 P 4.3948 0.0000 0.0000 65.7709 31.5464 177.8519 161 D 4.4476 8.1564 117.7355 57.2307 41.0730 178.0010 162 A 4.1178 8.4251 120.8306 54.4656 18.3586 179.2365 163 A 3.9275 7.6134 118.8132 55.3545 18.1962 179.1909 164 N 4.4573 8.0700 112.1824 54.9176 37.5949 175.2160 165 N 4.5900 8.1396 115.9453 53.2113 39.1940 174.5112 166 D 4.3857 7.9890 120.3844 53.5997 41.4564 175.2829 167 P 4.3214 0.0000 0.0000 65.3303 31.6275 178.8569 168 V 3.5952 7.8226 117.3503 65.3945 31.5209 177.1677 169 L 4.0913 7.6248 118.6531 57.0263 41.7026 177.2733 170 R 4.1886 7.9484 122.1057 56.2260 30.0944 176.0332 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 30 G 8.21 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 0.00 0.00 0.00 31 E 8.51 3.85 0.00 2.14 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 0.00 2.39 2.48 0.00 32 G 7.84 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 0.00 0.00 0.00 33 T 7.59 3.76 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 1.19 0.00 0.00 34 D 8.07 4.22 0.00 2.59 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 35 A 7.59 3.68 0.22 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 0.00 0.00 0.00 36 I 7.36 3.54 1.72 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.91 0.00 0.00 37 Q 8.10 3.94 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 38 A 7.72 3.98 1.27 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 0.00 0.00 39 L 7.73 3.82 0.00 1.47 0.67 0.53 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.19 4.16 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.35 0.97 0.00 0.00 41 Q 8.30 4.12 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 42 A 8.27 4.07 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 43 Y 8.67 4.32 0.00 3.60 3.54 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 44 F 8.97 4.10 0.00 3.29 3.22 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 0.00 45 T 8.47 3.95 4.47 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 1.22 0.00 0.00 46 A 8.14 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.18 3.87 0.00 3.34 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 48 N 8.74 4.70 0.00 2.93 2.98 0.00 0.00 7.10 7.22 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 49 T 7.74 4.33 4.21 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 0.00 0.00 0.00 1.27 0.00 0.00 50 N 7.68 3.88 0.00 2.82 2.78 0.00 0.00 6.61 6.63 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 51 A 8.05 4.86 1.07 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 0.00 0.00 52 P 0.00 3.81 0.00 2.27 2.31 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 53 E 8.01 4.02 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 2.27 2.28 0.00 54 R 7.67 4.41 0.00 1.65 1.87 0.00 2.98 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 55 F 7.90 4.67 0.00 3.18 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 56 A 8.29 4.21 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 57 E 8.07 3.98 0.00 2.27 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 0.00 2.50 2.23 0.00 58 I 7.99 4.18 1.59 0.00 0.00 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 1.64 1.34 0.86 0.00 0.00 59 F 7.54 5.27 0.00 3.22 3.14 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 60 W 8.75 4.70 0.00 3.61 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 2.31 2.22 0.00 3.98 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 62 D 8.32 4.95 0.00 2.87 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 63 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 64 S 9.32 5.59 0.00 4.19 4.13 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 65 W 9.09 5.39 0.00 3.64 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 66 V 7.82 4.41 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.72 0.00 0.00 67 N 8.07 5.12 0.00 2.98 2.75 0.00 0.00 6.25 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 68 V 8.51 3.82 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 0.90 0.00 0.00 1.06 0.00 0.00 69 V 7.90 4.08 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 0.73 0.00 0.00 1.04 0.00 0.00 70 G 7.98 3.41 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 0.00 0.00 0.00 0.00 *72 H 8.39 4.54 0.00 3.10 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 9.08 5.31 0.00 3.52 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 74 R 9.66 4.72 0.00 1.68 1.89 0.00 3.15 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.38 0.00 75 G 9.23 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 76 R 8.90 3.85 0.00 2.23 2.03 0.00 3.46 0.00 0.00 3.52 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 77 D 8.11 4.36 0.00 2.71 2.68 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 0.00 0.00 0.00 0.00 78 Q 7.98 3.86 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 79 I 7.59 3.50 1.60 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 1.60 0.82 -0.03 0.00 0.00 80 V 7.83 3.36 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 1.10 0.00 0.00 0.96 0.00 0.00 81 F 8.25 3.76 0.00 3.09 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 82 A 7.69 3.30 -0.41 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 0.00 0.00 0.00 83 H 7.68 3.88 0.00 2.91 3.11 0.00 5.82 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 84 T 7.91 3.66 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 0.99 0.00 0.00 85 A 7.43 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 7.81 4.43 0.00 3.10 2.77 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 87 L 8.09 3.91 0.00 1.55 1.47 0.70 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.97 4.02 0.00 1.68 1.91 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81 89 T 7.67 4.18 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 1.18 0.00 0.00 90 I 9.00 3.67 1.80 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.90 0.00 0.00 91 F 8.22 5.14 0.00 2.91 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 92 K 7.83 4.30 0.00 1.87 2.03 0.00 1.56 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.59 1.40 7.81 93 D 8.13 4.78 0.00 2.73 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 94 C 8.10 4.64 0.00 3.25 3.31 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 95 K 9.32 4.90 0.00 1.88 1.81 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.64 7.81 96 Q 9.38 5.03 0.00 1.38 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.62 0.00 0.00 0.00 0.00 0.00 1.90 1.45 0.00 97 E 9.31 4.66 0.00 2.01 1.81 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 2.20 2.27 0.00 98 L 8.46 4.02 0.00 1.32 1.33 0.54 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.71 4.28 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 0.79 0.00 0.00 0.89 0.00 0.00 100 T 7.53 4.75 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 101 I 8.30 4.60 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.93 0.00 0.00 102 E 9.18 4.57 0.00 1.98 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 0.00 2.19 2.19 0.00 103 A 8.24 5.34 1.16 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 0.00 104 R 8.72 4.66 0.00 1.84 1.98 0.00 2.77 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 105 T 8.51 4.64 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 1.38 0.00 0.00 106 I 8.22 4.39 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.94 0.00 0.00 107 A 7.49 4.50 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 0.00 108 P 0.00 4.50 0.00 2.05 2.04 0.00 3.77 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 2.04 2.11 0.00 109 G 9.32 3.57 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 0.00 0.00 0.00 110 S 8.62 5.36 0.00 3.93 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 0.00 111 A 9.69 5.32 1.15 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 0.00 0.00 112 L 9.19 5.24 0.00 1.77 1.52 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 113 A 9.19 5.17 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.67 4.54 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 0.88 0.00 0.00 0.89 0.00 0.00 115 V 8.99 4.80 2.18 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 0.95 0.00 0.00 0.92 0.00 0.00 116 T 8.79 5.19 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 1.27 0.00 0.00 117 L 8.78 5.26 0.00 2.00 1.83 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.70 4.68 1.82 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 0.58 0.40 0.87 0.00 0.00 119 Q 8.96 5.01 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 120 D 8.76 4.97 0.00 2.78 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 0.00 121 A 8.59 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 0.00 122 Y 7.89 4.77 0.00 3.32 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 0.00 123 V 8.24 4.45 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 0.88 0.00 0.00 0.97 0.00 0.00 124 T 8.61 4.30 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 0.00 125 P 0.00 4.29 0.00 2.15 2.25 0.00 3.72 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 2.25 2.23 0.00 126 D 7.99 4.43 0.00 2.80 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 0.00 127 G 8.10 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 0.00 128 R 8.15 4.19 0.00 1.87 1.81 0.00 3.12 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 129 Q 8.18 4.10 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 *131 P 0.00 4.16 0.00 2.24 2.07 0.00 3.77 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 132 R 8.38 4.28 0.00 1.89 1.93 0.00 3.30 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 133 A 8.71 4.73 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 0.00 134 H 8.90 4.96 0.00 3.13 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 9.10 5.39 0.00 2.53 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 0.00 136 R 9.07 4.72 0.00 1.83 1.73 0.00 3.06 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 137 L 8.93 4.98 0.00 1.81 1.44 0.62 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 138 T 8.73 4.69 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 1.14 0.00 0.00 139 L 8.93 4.92 0.00 1.42 1.16 0.68 -0.65 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 0.00 140 L 9.02 5.32 0.00 1.80 1.62 1.11 1.04 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 0.00 141 A 9.51 5.68 1.51 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 0.00 142 V 9.12 4.95 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 0.94 0.00 0.00 1.00 0.00 0.00 143 E 8.23 4.55 0.00 1.16 1.12 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 1.81 1.57 0.00 144 R 8.76 4.40 0.00 1.20 1.36 0.00 2.21 0.00 0.00 2.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.84 0.00 145 E 9.88 3.65 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 2.19 2.22 0.00 146 G 8.35 4.14 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 0.00 147 V 7.77 4.62 2.30 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 1.06 0.00 0.00 1.01 0.00 0.00 148 W 8.98 5.52 0.00 3.09 3.14 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 0.00 149 R 8.78 4.32 0.00 0.67 1.08 0.00 2.21 0.00 0.00 2.76 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 150 F 8.42 5.10 0.00 2.40 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 0.00 151 I 9.37 4.68 2.24 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.53 1.19 0.00 0.00 152 H 7.71 6.03 0.00 3.38 3.16 0.00 5.91 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 0.00 153 G 7.98 3.39 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 0.00 154 H 8.27 4.76 0.00 2.89 2.83 0.00 5.55 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 0.00 155 N 8.80 5.42 0.00 2.78 2.58 0.00 0.00 6.53 6.73 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 0.00 156 T 8.43 4.81 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 157 I 8.39 4.38 1.90 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 1.46 0.52 0.95 0.00 0.00 158 V 8.66 3.79 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 0.67 0.00 0.00 0.94 0.00 0.00 159 N 8.79 4.61 0.00 2.76 2.69 0.00 0.00 6.94 7.71 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 0.00 160 P 0.00 4.39 0.00 2.25 2.16 0.00 3.82 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 1.98 2.06 0.00 161 D 8.16 4.45 0.00 2.81 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 0.00 162 A 8.43 4.12 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 0.00 163 A 7.61 3.93 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 0.00 164 N 8.07 4.46 0.00 2.83 2.95 0.00 0.00 6.00 8.04 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 0.00 165 N 8.14 4.59 0.00 2.83 2.88 0.00 0.00 6.89 8.84 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 0.00 166 D 7.99 4.39 0.00 2.80 2.55 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 0.00 167 P 0.00 4.32 0.00 2.20 2.08 0.00 3.64 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 2.10 2.06 0.00 168 V 7.82 3.60 2.18 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 0.74 0.00 0.00 0.92 0.00 0.00 169 L 7.62 4.09 0.00 1.75 1.71 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 170 R 7.95 4.19 0.00 2.15 1.82 0.00 3.31 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 1.61 1.43 0.00 * Residues marked with a * may have inaccurate shift predictions.