NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7066 8.1633 120.2779 55.2981 34.2442 173.9650 2 K 4.8187 8.9063 120.4106 53.8121 37.1235 173.4578 3 K 4.8661 10.0595 126.5791 55.4011 34.4325 174.8230 4 I 4.8124 9.1251 128.8666 59.8140 39.4463 174.2808 5 E 5.1604 9.3811 127.4418 54.4889 32.0713 174.8786 6 A 5.0232 9.0906 126.8111 50.0757 22.3018 174.6035 7 I 4.8952 8.8611 124.3206 59.7596 39.3042 175.1135 8 I 4.8997 8.4946 119.9814 58.5243 41.8917 174.9370 9 R 4.1998 8.1159 120.7794 55.2716 30.5191 176.3620 10 P 4.1904 0.0000 0.0000 65.5960 31.4628 177.8470 11 F 4.6691 7.4166 109.7692 57.5064 38.3570 176.3671 12 K 4.3356 7.5399 121.0276 56.5142 32.0657 177.7277 13 L 3.9059 7.5551 122.3230 58.5418 41.9600 178.6957 14 D 4.3505 8.0303 118.0697 57.3741 40.7974 178.4295 15 E 3.9866 8.1288 118.7065 59.3003 29.5246 179.4379 16 V 3.5512 7.8106 118.3471 65.7458 31.6266 177.8864 17 K 3.8837 8.2570 119.6215 59.6951 31.9477 178.8295 18 I 3.7002 7.9344 119.7139 64.2575 36.5368 178.1145 19 A 3.9815 8.3351 122.0502 55.2730 18.1767 179.8037 20 L 3.9393 7.9398 117.2707 57.8646 41.7932 179.8691 21 V 3.7131 7.8634 118.1393 66.2303 31.3157 177.7717 22 N 4.4447 8.2562 114.6855 55.9644 38.4905 175.5626 23 A 4.3206 7.5576 118.2195 51.9856 18.9171 177.7613 24 G 3.8159 8.6840 105.1670 45.6796 0.0000 173.9316 25 I 4.2187 7.6059 120.7202 60.0345 37.2234 176.4946 26 V 4.3938 7.7355 120.2194 57.1907 31.5040 175.0892 27 G 4.0836 7.6482 105.4104 45.0415 0.0000 170.3416 28 M 4.9371 8.3487 120.3376 54.6973 34.0351 174.0580 29 T 4.7300 8.8379 116.8014 61.8309 72.4171 173.1367 30 V 5.0865 8.4624 124.8029 61.1666 34.7339 174.5988 31 S 4.7865 9.0021 120.5243 56.5736 66.8680 172.7061 32 E 4.7040 8.7423 121.4188 56.4602 30.3035 176.2680 33 V 4.6324 8.7539 116.4448 59.9916 36.8945 174.1270 34 R 5.2604 8.2794 119.1554 55.0933 33.8731 175.1179 35 G 4.4738 9.1813 107.4959 45.8106 0.0000 171.8317 36 F 5.3231 8.2828 114.3331 55.0684 41.2294 174.7422 37 G 4.4030 8.5413 108.6706 44.9879 0.0000 174.7103 38 R 3.9923 8.7353 116.2646 58.8882 30.0648 177.5771 39 Q 4.2141 8.1894 116.2429 55.4463 29.1499 176.0328 40 K 3.1832 9.3366 117.4501 57.3439 30.0761 177.0302 41 G 3.9412 8.4303 104.0000 46.5524 0.0000 174.0002 42 Q 4.2505 7.8271 119.7250 55.3186 29.0286 176.0638 43 T 4.2278 8.6080 115.1850 62.7224 69.2052 175.3913 44 E 4.0420 7.4710 120.5055 58.2808 31.0957 181.9170 *51 Y 4.3802 7.3315 118.6599 56.7567 38.9135 177.4449 52 T 4.1146 7.4728 115.7753 61.8860 68.7270 173.5151 53 V 4.1850 7.9328 124.6931 60.9592 33.4665 174.4551 54 E 4.6969 8.2427 126.2031 54.4479 33.1996 175.0177 55 F 5.0382 8.7113 121.2315 56.6384 40.3778 175.2534 56 L 4.9554 9.1610 123.0436 52.7695 45.2043 175.6645 57 Q 4.5129 8.6099 120.1640 56.0854 29.5395 175.6705 58 K 4.8355 9.0654 122.0599 54.9219 37.6445 174.7353 59 L 5.2160 8.6149 120.4681 52.9757 44.7374 175.7559 60 K 4.8534 9.1587 125.0244 54.9329 34.0692 174.7830 61 L 5.0654 9.1275 128.0038 53.3638 44.1621 175.4139 62 E 5.1613 9.2497 122.2489 54.6795 33.4855 174.8941 63 I 4.7741 8.9183 124.7240 59.6319 41.0524 174.3037 64 V 4.6868 8.4826 127.4584 61.6703 32.7402 175.1955 65 V 4.6563 8.5531 119.7107 59.4750 36.9351 174.6519 66 E 4.3345 9.2171 121.3724 56.2278 30.2372 178.0945 67 D 4.4138 9.0279 122.0277 57.9549 40.6971 179.4907 68 A 4.1716 8.0206 118.2671 54.0363 18.7389 178.2245 69 Q 4.4128 8.3199 115.7901 55.5445 29.4905 177.5231 70 V 3.5475 7.6424 120.8361 66.2880 31.4853 177.4034 71 D 4.3460 8.0955 117.7745 57.6972 40.6360 178.5092 72 T 3.8633 8.0031 115.6702 66.9221 68.3987 176.3626 73 V 3.5574 7.6979 119.5286 66.0551 31.5373 178.0299 74 I 3.6540 7.8590 119.5056 64.4247 36.8657 177.9979 75 D 4.3416 8.3641 119.9576 57.4510 40.7201 179.2206 76 K 3.9522 8.1976 118.7917 59.4864 31.9963 179.4498 77 I 3.6597 7.8730 120.1786 64.3735 37.0123 178.5587 78 V 3.5115 8.1596 119.0973 66.1071 31.1483 177.9597 79 A 4.0402 8.0467 119.0377 54.9837 18.2328 179.0905 80 A 4.1017 8.0586 118.3520 54.3996 18.8014 178.7987 81 A 4.3687 7.9976 117.1511 51.7630 20.3753 177.5426 82 R 4.2475 7.7736 118.4912 56.6508 30.9141 175.5811 83 T 4.5865 8.9910 111.1044 64.1987 73.3819 173.8396 84 G 3.5972 8.0944 109.4305 44.8312 0.0000 173.4898 85 E 4.3563 7.7405 121.4715 54.5846 30.5838 176.0205 86 I 3.7094 8.0892 118.2116 62.5273 37.2553 176.0084 87 G 3.9648 8.8605 109.3043 45.8275 0.0000 175.1724 88 D 4.3163 7.7988 120.3005 55.6012 40.9935 175.4264 89 G 4.4393 6.0374 103.5081 44.0835 0.0000 172.5110 90 K 4.4955 8.0929 119.1817 54.5679 35.9382 174.5874 91 I 4.7535 7.8060 125.2845 59.3471 40.1332 174.8189 92 F 5.0353 9.2538 124.7544 55.6299 42.3761 174.1006 93 V 4.9786 8.6358 123.0448 61.2056 33.3929 174.6296 94 S 4.9878 9.1044 121.9042 55.6189 66.9344 171.4483 95 P 4.7453 0.0000 0.0000 62.6962 32.2780 175.6055 96 V 4.3607 8.0575 121.0951 61.5409 33.0063 175.3127 97 D 4.5768 8.9591 127.5798 56.4860 41.4574 176.4488 98 Q 4.8011 7.5718 117.1167 54.9568 32.1709 173.1354 99 T 4.8288 9.2862 120.1704 61.8993 72.7388 173.0599 100 I 5.0179 8.1236 124.4123 59.6793 41.2443 174.5635 101 R 4.1977 9.0946 128.5557 55.5688 30.3729 177.2782 102 I 3.7247 8.5868 127.7533 64.4501 37.5477 178.2449 103 R 4.1365 8.1460 119.3301 58.6667 29.9516 176.8339 104 T 4.3491 7.2793 105.8318 60.3210 70.4663 175.2662 105 G 3.9104 8.3268 109.0611 45.6697 0.0000 173.7078 106 E 4.1301 8.0256 119.7769 56.1639 30.1327 176.2397 107 K 5.1198 8.2229 120.3373 55.6073 36.4627 177.1956 108 N 3.9330 8.6353 119.1818 54.0262 38.3281 176.5837 109 A 3.9965 8.9272 127.7396 56.6399 18.1557 179.8445 110 D 4.3526 7.7733 113.8868 57.1882 40.9242 177.7056 111 A 4.2348 7.7814 120.3374 53.4855 18.8534 177.9172 112 I 4.2002 7.6513 115.4855 62.1931 38.6683 176.4579 113 S 4.5000 7.7461 113.3455 56.8538 64.1777 173.7224 114 A 4.0483 8.3141 126.5201 53.4182 18.9690 178.5030 *115 W 3.7238 8.5364 120.1172 56.7106 28.2115 174.5061 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 M 8.16 4.71 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.91 4.82 0.00 1.61 1.72 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.60 7.81 3 K 10.06 4.87 0.00 1.79 1.68 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 I 9.13 4.81 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.90 0.00 0.00 5 E 9.38 5.16 0.00 2.08 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 2.27 2.29 0.00 6 A 9.09 5.02 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 7 I 8.86 4.90 1.87 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 1.40 1.21 0.97 0.00 0.00 8 I 8.49 4.90 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.85 0.84 0.00 0.00 9 R 8.12 4.20 0.00 1.20 1.03 0.00 2.63 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 10 P 0.00 4.19 0.00 2.23 2.12 0.00 3.50 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 2.15 2.07 0.00 11 F 7.42 4.67 0.00 3.15 3.23 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 12 K 7.54 4.34 0.00 1.73 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.94 1.41 7.81 13 L 7.56 3.91 0.00 1.78 1.68 0.91 1.70 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 14 D 8.03 4.35 0.00 2.76 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 15 E 8.13 3.99 0.00 2.02 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 2.40 0.00 16 V 7.81 3.55 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 0.97 0.00 0.00 0.96 0.00 0.00 17 K 8.26 3.88 0.00 1.88 2.04 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 18 I 7.93 3.70 1.88 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 1.46 0.54 0.91 0.00 0.00 19 A 8.34 3.98 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 20 L 7.94 3.94 0.00 1.90 1.71 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.86 3.71 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 0.97 0.00 0.00 1.01 0.00 0.00 22 N 8.26 4.44 0.00 2.74 2.88 0.00 0.00 7.02 8.15 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 23 A 7.56 4.32 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 24 G 8.68 3.82 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 0.00 0.00 0.00 25 I 7.61 4.22 1.94 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.91 0.00 0.00 26 V 7.74 4.39 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 0.73 0.00 0.00 0.93 0.00 0.00 27 G 7.65 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 28 M 8.35 4.94 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 29 T 8.84 4.73 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 1.21 0.00 0.00 30 V 8.46 5.09 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 0.83 0.00 0.00 0.93 0.00 0.00 31 S 9.00 4.79 0.00 3.85 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 32 E 8.74 4.70 0.00 1.88 1.93 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 2.31 2.34 0.00 33 V 8.75 4.63 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 0.83 0.00 0.00 0.94 0.00 0.00 34 R 8.28 5.26 0.00 1.57 2.00 0.00 3.48 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 35 G 9.18 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 0.00 0.00 0.00 0.00 36 F 8.28 5.32 0.00 2.97 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 37 G 8.54 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 0.00 0.00 0.00 0.00 38 R 8.74 3.99 0.00 1.97 2.13 0.00 3.05 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 39 Q 8.19 4.21 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.42 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 40 K 9.34 3.18 0.00 1.79 1.48 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.02 1.28 7.81 41 G 8.43 3.94 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 0.00 0.00 0.00 42 Q 7.83 4.25 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 43 T 8.61 4.23 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 1.24 0.00 0.00 44 E 7.47 4.04 0.00 2.00 1.74 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 2.17 1.86 0.00 *51 Y 7.33 4.38 0.00 2.35 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 0.00 0.00 0.00 52 T 7.47 4.11 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 1.16 0.00 0.00 53 V 7.93 4.18 1.71 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 -0.35 0.00 0.00 0.64 0.00 0.00 54 E 8.24 4.70 0.00 1.86 1.77 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 2.11 2.34 0.00 55 F 8.71 5.04 0.00 3.05 3.07 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 56 L 9.16 4.96 0.00 1.60 1.61 1.02 1.03 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 57 Q 8.61 4.51 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 58 K 9.07 4.84 0.00 1.64 1.78 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.57 7.81 59 L 8.61 5.22 0.00 1.54 1.51 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.16 4.85 0.00 1.79 1.67 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.43 7.81 61 L 9.13 5.07 0.00 1.72 1.54 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.25 5.16 0.00 1.85 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 2.26 0.00 63 I 8.92 4.77 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.94 0.91 0.00 0.00 64 V 8.48 4.69 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 0.85 0.00 0.00 0.93 0.00 0.00 65 V 8.55 4.66 2.25 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 0.68 0.00 0.00 0.93 0.00 0.00 66 E 9.22 4.33 0.00 2.17 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 2.33 2.28 0.00 67 D 9.03 4.41 0.00 2.75 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 68 A 8.02 4.17 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 69 Q 8.32 4.41 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 70 V 7.64 3.55 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 1.03 0.00 0.00 0.93 0.00 0.00 71 D 8.10 4.35 0.00 2.72 2.70 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 72 T 8.00 3.86 4.44 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 1.21 0.00 0.00 73 V 7.70 3.56 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 1.09 0.00 0.00 0.99 0.00 0.00 74 I 7.86 3.65 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.52 0.88 0.00 0.00 75 D 8.36 4.34 0.00 2.98 2.71 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 0.00 0.00 0.00 0.00 76 K 8.20 3.95 0.00 1.75 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.62 7.81 77 I 7.87 3.66 1.83 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 1.38 0.73 0.86 0.00 0.00 78 V 8.16 3.51 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 1.01 0.00 0.00 0.95 0.00 0.00 79 A 8.05 4.04 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 80 A 8.06 4.10 1.38 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 81 A 8.00 4.37 1.22 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 82 R 7.77 4.25 0.00 1.73 1.93 0.00 3.23 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 83 T 8.99 4.59 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 1.28 0.00 0.00 84 G 8.09 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.74 4.36 0.00 1.99 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 2.31 0.00 86 I 8.09 3.71 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.92 0.00 0.00 87 G 8.86 3.96 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 0.00 0.00 0.00 88 D 7.80 4.32 0.00 2.65 2.71 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 0.00 0.00 0.00 0.00 89 G 6.04 4.44 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 0.00 90 K 8.09 4.50 0.00 1.65 1.23 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.63 1.21 7.81 91 I 7.81 4.75 1.70 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 1.23 0.64 0.84 0.00 0.00 92 F 9.25 5.04 0.00 2.88 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 93 V 8.64 4.98 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 0.84 0.00 0.00 0.94 0.00 0.00 94 S 9.10 4.99 0.00 3.86 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 95 P 0.00 4.75 0.00 2.10 2.09 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.06 4.36 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 0.84 0.00 0.00 0.96 0.00 0.00 97 D 8.96 4.58 0.00 2.70 2.70 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 98 Q 7.57 4.80 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.57 0.00 99 T 9.29 4.83 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 1.21 0.00 0.00 100 I 8.12 5.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.91 0.00 0.00 101 R 9.09 4.20 0.00 1.86 1.80 0.00 3.26 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 1.60 1.60 0.00 102 I 8.59 3.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.91 0.00 0.00 103 R 8.15 4.14 0.00 1.76 1.96 0.00 3.18 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 104 T 7.28 4.35 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 1.24 0.00 0.00 105 G 8.33 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 0.00 106 E 8.03 4.13 0.00 2.06 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 2.33 2.28 0.00 107 K 8.22 5.12 0.00 1.77 1.66 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 108 N 8.64 3.93 0.00 2.85 2.19 0.00 0.00 6.97 7.09 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 0.00 109 A 8.93 4.00 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 0.00 110 D 7.77 4.35 0.00 2.78 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 0.00 111 A 7.78 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.65 4.20 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.91 0.00 0.00 113 S 7.75 4.50 0.00 3.99 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 0.00 114 A 8.31 4.05 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 *115 W 8.54 3.72 0.00 2.71 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.