NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 N 4.7740 8.2827 117.7953 52.2754 40.9647 175.9359 17 R 3.9104 7.9582 116.6923 59.3114 30.4737 177.3989 18 D 4.4114 8.9526 119.4952 57.2702 41.2577 178.4103 19 K 4.0006 8.0903 118.5192 59.4509 32.0969 179.2548 20 I 3.7266 8.0072 120.1773 64.5538 37.1118 178.5979 21 L 3.9466 8.1496 119.5278 57.2960 41.5052 179.2698 22 A 3.9716 8.5241 121.1224 55.1988 18.2866 179.4632 23 A 3.9068 8.0985 118.9462 55.1635 18.3412 179.5556 24 A 3.7780 8.3136 119.6496 55.3171 18.4905 179.8093 25 V 3.6090 7.8539 116.6122 66.2688 31.5568 178.1898 26 R 3.8542 7.7755 117.6239 59.5115 30.0050 178.7160 27 V 3.5150 7.8734 118.0951 66.0378 31.5407 178.0314 28 F 4.6471 8.1899 117.7048 60.6537 38.4578 177.9093 29 S 4.7614 8.0374 115.5671 61.0810 62.7063 176.0353 30 E 4.0878 8.2141 120.9558 58.7566 29.6046 177.7584 31 E 4.4802 8.6749 116.0322 56.7671 31.2714 177.4080 32 G 3.9166 8.4514 108.2287 44.4969 0.0000 173.5021 33 L 4.0496 8.5971 119.2567 58.3878 42.1582 178.5109 34 D 4.7148 8.1212 115.3996 54.2662 40.5416 175.9926 35 A 4.1227 7.6754 122.1212 52.8077 18.8194 178.3314 36 H 4.2752 9.0997 118.7949 55.4828 28.2821 176.4487 37 L 3.9585 8.5701 126.6360 57.6696 41.3648 179.3052 38 E 4.0167 8.1919 117.1466 59.3284 29.3353 179.0810 39 R 3.8424 7.9871 119.7590 59.1960 30.1471 178.6576 40 I 3.5976 7.5832 118.9067 64.1719 37.1524 177.8591 41 A 3.9894 7.8827 121.6285 55.3464 18.1486 179.7142 42 R 3.8092 8.1175 117.0268 59.7042 29.9823 178.4884 43 E 3.9260 8.3046 117.2490 59.0381 29.5102 178.3050 44 A 4.4147 7.7469 118.0144 51.1927 19.1270 177.0659 45 G 3.8881 8.2730 105.8686 46.6288 0.0000 174.3890 46 V 4.5147 7.9716 117.3318 58.4591 34.7283 176.1197 47 G 3.8935 8.3579 107.9789 44.5114 0.0000 174.9278 48 S 4.4658 8.6100 115.6969 60.5447 63.2058 176.8862 49 G 3.6622 8.0968 109.5939 48.1174 0.0000 175.6637 50 T 3.8996 7.9043 117.9030 66.1168 68.4580 176.2149 51 L 4.0742 7.9849 122.2393 58.5708 41.6415 178.4517 52 Y 4.3104 8.2810 119.3569 60.9011 38.4953 178.2291 53 R 3.8021 8.2757 118.4564 58.9360 30.1683 178.1931 54 N 4.3726 7.6399 115.0464 54.0353 38.5687 175.5455 55 F 4.8102 8.1299 119.3475 54.9385 40.2621 173.1038 56 P 4.1234 0.0000 0.0000 63.7528 31.9980 177.8504 57 T 4.8763 7.3269 107.3421 59.0924 72.9794 174.9782 58 R 4.1419 8.5455 118.8948 59.5585 29.5209 178.8730 59 E 3.8462 8.2010 118.7504 59.0617 29.4355 178.8562 60 A 4.0132 8.2593 121.0108 55.0041 18.3856 179.4421 61 L 3.6540 8.1045 118.8237 58.1960 42.1660 179.1976 62 I 3.3225 7.7242 119.7575 64.3409 36.9646 177.9938 63 E 3.8537 8.2359 119.8639 59.2685 29.3518 178.7197 64 A 4.0379 8.4224 120.9774 55.0174 18.4119 179.4823 65 A 3.8769 8.1407 119.4964 55.2991 18.4523 179.2286 66 Y 3.9269 8.1618 118.0382 61.0643 38.8794 178.4798 67 R 3.8851 8.4458 119.3542 59.3318 30.0743 178.6355 68 N 4.3282 8.5544 117.2081 56.4396 38.9221 176.8728 69 E 3.9204 8.0782 120.2472 59.2618 29.5053 179.4443 70 V 3.2046 7.4749 117.9257 65.9222 31.5220 177.9959 71 A 3.9839 8.2413 120.8656 55.1578 17.9695 179.8078 72 R 3.8693 8.1478 116.2137 59.1215 30.1970 178.7224 73 L 4.0834 7.9207 120.0504 58.5617 42.2007 178.9289 74 C 4.4175 8.3583 116.7248 62.8582 27.9181 175.1745 75 D 4.7362 8.3165 118.1051 55.2460 40.9692 178.0407 76 S 4.3888 8.0225 115.5537 60.2630 63.1356 176.5186 77 V 3.5945 7.6958 122.4381 65.7070 31.2213 176.0324 78 P 4.3320 0.0000 0.0000 65.4364 30.8634 178.8595 79 G 3.5972 8.0475 104.1170 47.7499 0.0000 175.5609 80 L 4.0753 8.0968 121.6012 57.6460 41.4548 179.7099 81 L 4.0078 8.1022 117.7957 57.6621 41.5711 179.1496 82 A 4.1309 8.2439 120.3377 54.3630 18.3477 178.5123 83 E 4.5002 7.7186 114.7628 55.6314 31.2985 176.1080 84 L 4.9141 7.2489 117.0279 51.3105 45.5218 175.1742 85 P 4.4322 0.0000 0.0000 61.9315 33.1651 176.0482 86 P 4.3045 0.0000 0.0000 66.1513 31.1412 178.7492 87 A 3.9797 8.5805 120.5606 54.8846 18.1449 179.5148 88 E 3.9290 8.1863 116.6152 59.2352 29.5871 179.0038 89 A 4.0290 8.4868 121.3530 55.1484 18.4030 179.3675 90 L 3.9502 8.1680 118.9333 58.3052 41.9562 178.9863 91 R 3.9188 8.2556 118.4589 59.6089 30.1262 178.2081 92 A 4.0513 8.3879 120.7411 55.0405 18.3449 179.4388 93 W 4.0632 8.6240 127.2299 60.7089 30.8015 178.3298 94 T 4.0767 8.5683 110.1003 64.8441 67.9890 176.7302 95 R 3.9280 7.8046 120.8071 59.2107 30.0449 179.1836 96 R 3.9661 7.6658 117.3932 58.9353 29.9591 178.8907 97 F 3.6559 7.9195 120.8853 61.2495 39.3769 177.2155 98 I 3.5859 7.8570 119.3408 64.3170 36.7576 177.9194 99 D 4.2772 8.1443 119.8647 57.5917 40.6281 178.3405 100 Y 3.9219 7.9410 119.4951 60.6391 38.7068 177.8782 101 A 3.3492 7.7511 121.8416 55.4589 18.3394 179.7994 102 T 3.8225 8.2398 114.1600 66.4681 68.2227 176.8852 103 A 3.9072 7.8456 122.1773 54.9115 18.5099 179.1743 104 K 3.9911 7.7455 117.2277 59.6098 32.3072 178.3574 105 L 4.1886 7.8967 119.5873 57.9333 42.3829 179.2704 106 G 3.6678 8.1976 104.2518 45.6666 0.0000 174.7328 *108 A 4.2877 7.9419 124.8510 52.0141 20.7203 179.7587 109 D 4.3357 8.0677 114.9259 57.3662 40.9481 178.7119 110 A 3.8633 7.8636 120.7457 55.1576 18.4411 179.5658 111 L 3.7525 7.6990 116.9868 57.8032 41.6646 179.5540 112 R 3.9002 8.3810 118.2858 59.3447 30.0451 178.9574 113 A 3.9586 7.9631 120.5660 54.9980 18.4012 179.9826 114 V 3.4863 7.5486 117.6008 64.9272 31.2852 178.7733 115 V 3.7265 7.9572 120.1344 65.1384 31.2384 177.9518 116 A 4.0247 8.1332 119.3990 54.4274 18.2458 178.6689 117 S 4.5158 7.7677 110.6928 58.3159 63.6376 174.9082 118 G 4.0041 8.0547 111.1177 45.4422 0.0000 174.1919 119 G 3.8669 8.6318 109.8335 44.7176 0.0000 173.1031 120 D 4.7911 7.9651 118.1037 51.2793 41.4634 173.7015 121 P 4.3931 0.0000 0.0000 65.0437 32.0635 178.3154 122 Y 4.5053 7.7171 116.8430 59.5571 39.2359 177.5730 123 G 4.1413 7.6891 106.8198 46.7484 0.0000 173.4252 124 D 5.2589 8.4673 120.8293 53.3883 41.3433 178.4858 125 S 4.2355 8.6499 119.1691 61.7676 62.7630 176.2818 126 R 3.9083 8.0748 120.8466 59.6409 29.7510 178.4558 127 Q 3.8892 7.9868 117.2940 58.7638 28.8476 178.6072 128 L 4.0127 7.9926 120.0360 57.9099 41.6653 179.6898 129 I 3.9528 8.0183 119.8355 64.5298 37.0114 178.4044 130 Q 3.9346 8.0386 118.9741 59.1549 28.4044 179.0996 131 S 3.9836 8.2367 113.7967 61.0552 62.3968 176.1068 132 A 3.7813 7.7238 123.3166 54.8291 17.8819 179.3396 133 L 3.1733 7.4705 117.8494 58.2932 42.1952 178.9140 134 T 3.8912 7.7836 114.6550 66.5140 68.6854 175.9255 135 A 4.1187 8.0479 122.7959 55.1317 18.3180 179.9116 136 L 3.7255 7.2654 113.0154 56.0538 41.1893 178.6950 *138 D 4.4668 8.0380 121.0471 54.4090 43.0405 177.8303 139 A 3.9442 7.9602 120.4437 55.1129 18.2945 179.6147 140 A 3.9407 8.2034 119.1990 55.1166 18.4260 179.7891 141 A 4.2064 8.1631 120.0869 54.6594 18.3698 179.5621 142 A 3.9529 8.0236 118.2795 54.8540 18.5391 178.8535 143 A 4.2835 7.8607 116.7900 51.9767 18.9255 178.3492 144 G 3.8845 7.8481 105.2810 45.8501 0.0000 174.8119 145 E 4.2128 8.1183 119.9847 57.4253 29.8859 176.5284 146 I 4.8107 7.2994 111.0638 58.0459 40.8508 174.8451 147 R 4.0934 8.6218 118.6006 56.8082 29.4529 176.8502 148 S 4.5808 8.4883 112.5629 58.4267 63.8552 174.1488 149 D 4.6846 7.9044 119.6354 53.3487 39.7697 175.9303 150 I 4.2627 7.3548 121.2071 60.2067 38.7126 175.6559 151 R 4.2167 8.3487 124.3208 55.5940 30.7737 177.9472 152 S 4.1660 8.6176 116.6641 61.5210 63.5443 175.6651 153 T 4.0322 7.8954 115.3165 64.8748 67.4861 174.3813 154 D 4.6064 7.8627 120.8498 54.8121 41.0566 178.1614 *156 F 4.3830 8.2889 122.5115 58.1850 41.2792 176.6903 157 A 4.0581 8.0993 121.7624 54.9910 18.0555 179.4803 158 A 3.9019 8.1178 119.3142 55.3812 18.4157 179.9138 159 L 3.8092 7.6191 116.7778 57.7405 41.6480 179.3051 160 A 4.1282 8.0069 121.3158 55.1762 18.1506 180.0128 161 G 3.5339 8.1414 104.1830 47.8883 0.0000 176.0206 162 I 3.6883 7.7673 122.0610 64.0267 36.8945 178.1333 163 A 4.1351 8.0368 122.0441 54.7063 18.2811 179.4503 164 L 4.0785 7.7899 116.2340 57.8356 41.7864 179.2749 165 T 4.3325 8.0346 108.2626 63.2236 69.2115 175.8347 166 S 4.7983 7.9339 117.4330 58.4121 64.5281 175.1398 167 S 4.3469 8.1993 117.7135 59.9266 63.4641 175.0073 168 R 4.0423 8.0331 120.4919 55.3303 30.0960 175.6742 169 P 4.1866 0.0000 0.0000 65.9572 31.3888 177.8649 170 D 4.5467 8.0315 114.4243 54.8274 39.7794 177.0089 171 Q 4.5175 8.0368 119.2912 55.9773 28.9851 177.0630 172 R 3.8381 7.6449 122.2350 59.3218 30.0497 178.5419 173 A 3.9563 7.8978 120.1665 55.1185 18.4550 179.0634 174 Q 3.8835 8.1039 117.3835 59.3915 29.0678 178.1415 175 A 3.9918 8.2180 121.8538 55.3912 18.3754 179.5487 176 E 3.9128 8.3517 116.8970 59.7027 29.5811 179.8481 177 R 3.9847 8.1226 118.1002 59.1475 30.0806 179.1808 178 L 4.0392 8.2182 119.0851 57.6353 41.5272 179.3944 179 L 4.0243 8.1973 119.1899 57.9821 41.4785 179.3159 180 D 4.3503 8.1662 118.7814 57.1612 40.7422 178.6644 181 L 3.9283 7.9612 120.8809 58.1669 41.9290 179.2429 182 V 3.5924 7.6749 116.9154 65.9986 31.7795 177.6507 183 L 4.1521 8.2219 118.9905 57.9562 41.4673 179.2559 184 D 4.5246 8.6306 119.3306 57.1466 40.4951 178.9138 185 G 3.7449 7.8514 105.2472 46.9310 0.0000 174.6872 186 L 4.3796 7.7491 119.7983 54.1735 42.1568 176.8402 187 R 4.2823 7.2116 119.1673 55.2426 30.6848 174.9825 188 P 4.4144 0.0000 0.0000 63.1598 31.2887 176.2128 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 16 N 8.28 4.77 0.00 2.67 2.78 0.00 0.00 6.39 6.77 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 17 R 7.96 3.91 0.00 2.02 2.03 0.00 3.22 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 18 D 8.95 4.41 0.00 2.83 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 19 K 8.09 4.00 0.00 2.02 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.62 7.81 20 I 8.01 3.73 2.13 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.93 0.00 0.00 21 L 8.15 3.95 0.00 1.68 1.66 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.52 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.91 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 24 A 8.31 3.78 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.61 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 1.05 0.00 0.00 1.10 0.00 0.00 26 R 7.78 3.85 0.00 1.93 2.05 0.00 3.25 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 27 V 7.87 3.51 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 0.69 0.00 0.00 0.84 0.00 0.00 28 F 8.19 4.65 0.00 3.28 2.99 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 0.00 0.00 0.00 29 S 8.04 4.76 0.00 4.05 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 30 E 8.21 4.09 0.00 2.05 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 2.31 2.34 0.00 31 E 8.67 4.48 0.00 1.99 1.98 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 2.25 2.37 0.00 32 G 8.45 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 33 L 8.60 4.05 0.00 1.62 1.75 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.12 4.71 0.00 2.74 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 35 A 7.68 4.12 1.05 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 0.00 0.00 36 H 9.10 4.28 0.00 3.21 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.57 3.96 0.00 1.70 1.76 1.01 0.91 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 38 E 8.19 4.02 0.00 2.16 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 2.36 2.32 0.00 39 R 7.99 3.84 0.00 1.88 2.01 0.00 3.20 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 40 I 7.58 3.60 1.92 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.57 0.84 0.00 0.00 41 A 7.88 3.99 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 3.81 0.00 2.01 1.96 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 43 E 8.30 3.93 0.00 2.04 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 2.33 2.40 0.00 44 A 7.75 4.41 1.42 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 45 G 8.27 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.97 4.51 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 0.79 0.00 0.00 0.97 0.00 0.00 47 G 8.36 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.61 4.47 0.00 4.09 4.15 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 49 G 8.10 3.66 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 0.00 0.00 0.00 50 T 7.90 3.90 4.45 0.00 0.00 0.00 0.00 0.00 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 51 L 7.98 4.07 0.00 1.87 1.95 1.14 0.96 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 52 Y 8.28 4.31 0.00 3.20 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 53 R 8.28 3.80 0.00 1.78 1.91 0.00 3.21 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 54 N 7.64 4.37 0.00 2.38 1.85 0.00 0.00 6.79 8.79 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 55 F 8.13 4.81 0.00 3.07 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 56 P 0.00 4.12 0.00 1.98 1.60 0.00 3.29 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 57 T 7.33 4.88 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 58 R 8.55 4.14 0.00 2.30 2.37 0.00 3.02 0.00 0.00 3.64 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 59 E 8.20 3.85 0.00 2.06 1.98 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 2.37 2.40 0.00 60 A 8.26 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 3.65 0.00 1.88 2.00 0.44 0.98 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 62 I 7.72 3.32 1.74 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.36 0.59 0.00 0.00 63 E 8.24 3.85 0.00 1.95 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 2.34 2.33 0.00 64 A 8.42 4.04 1.39 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 65 A 8.14 3.88 1.39 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 66 Y 8.16 3.93 0.00 3.10 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 67 R 8.45 3.89 0.00 2.11 2.01 0.00 3.24 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 68 N 8.55 4.33 0.00 2.82 2.97 0.00 0.00 7.19 7.60 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 69 E 8.08 3.92 0.00 2.12 2.07 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 2.42 2.47 0.00 70 V 7.47 3.20 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 1.02 0.00 0.00 0.48 0.00 0.00 71 A 8.24 3.98 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 72 R 8.15 3.87 0.00 1.82 2.01 0.00 3.18 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 73 L 7.92 4.08 0.00 1.70 1.75 0.19 0.43 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 74 C 8.36 4.42 0.00 3.05 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 75 D 8.32 4.74 0.00 2.74 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 76 S 8.02 4.39 0.00 4.15 4.32 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 77 V 7.70 3.59 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 0.99 0.00 0.00 0.73 0.00 0.00 78 P 0.00 4.33 0.00 2.20 2.08 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 79 G 8.05 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 80 L 8.10 4.08 0.00 1.90 1.80 1.13 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.10 4.01 0.00 1.79 1.72 0.87 0.98 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 82 A 8.24 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.72 4.50 0.00 1.95 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 2.46 2.47 0.00 84 L 7.25 4.91 0.00 1.72 1.54 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.43 0.00 2.16 1.97 0.00 3.61 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 2.12 2.15 0.00 86 P 0.00 4.30 0.00 2.32 2.29 0.00 3.94 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.03 0.00 87 A 8.58 3.98 1.40 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 88 E 8.19 3.93 0.00 2.19 2.03 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 2.42 2.39 0.00 89 A 8.49 4.03 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 90 L 8.17 3.95 0.00 1.76 1.89 0.94 1.18 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 91 R 8.26 3.92 0.00 2.03 2.15 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 92 A 8.39 4.05 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 93 W 8.62 4.06 0.00 3.55 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 94 T 8.57 4.08 4.33 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 1.44 0.00 0.00 95 R 7.80 3.93 0.00 2.10 2.00 0.00 3.20 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 96 R 7.67 3.97 0.00 1.65 1.74 0.00 3.42 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 97 F 7.92 3.66 0.00 2.12 2.97 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 98 I 7.86 3.59 1.85 0.00 0.00 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 1.83 0.69 0.87 0.00 0.00 99 D 8.14 4.28 0.00 2.83 2.67 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 0.00 0.00 0.00 0.00 100 Y 7.94 3.92 0.00 2.87 2.89 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 0.00 0.00 0.00 101 A 7.75 3.35 0.99 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 0.00 0.00 0.00 0.00 0.00 102 T 8.24 3.82 4.27 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 1.16 0.00 0.00 103 A 7.85 3.91 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 0.00 104 K 7.75 3.99 0.00 1.39 1.73 0.00 1.80 0.00 0.00 1.46 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.62 7.81 105 L 7.90 4.19 0.00 1.62 1.77 0.88 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0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.81 0.00 0.00 115 V 7.96 3.73 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 1.22 0.00 0.00 1.00 0.00 0.00 116 A 8.13 4.02 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 0.00 117 S 7.77 4.52 0.00 4.04 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 0.00 118 G 8.05 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 0.00 119 G 8.63 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 0.00 0.00 0.00 120 D 7.97 4.79 0.00 2.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 1.29 1.77 0.00 3.40 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.38 0.00 122 Y 7.72 4.51 0.00 3.20 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.16 4.21 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 0.00 142 A 8.02 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.86 4.28 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 0.00 144 G 7.85 3.88 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 0.00 0.00 0.00 145 E 8.12 4.21 0.00 2.09 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 0.00 2.33 2.38 0.00 146 I 7.30 4.81 1.97 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 1.39 0.95 0.91 0.00 0.00 147 R 8.62 4.09 0.00 2.07 1.99 0.00 3.09 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 148 S 8.49 4.58 0.00 3.97 3.99 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 0.00 0.00 0.00 149 D 7.90 4.68 0.00 2.79 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 0.00 150 I 7.35 4.26 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 1.41 0.85 0.91 0.00 0.00 151 R 8.35 4.22 0.00 2.00 1.84 0.00 3.13 0.00 0.00 3.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 152 S 8.62 4.17 0.00 3.94 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 0.00 153 T 7.90 4.03 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 1.22 0.00 0.00 154 D 7.86 4.61 0.00 2.95 2.67 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 0.00 0.00 0.00 0.00 *156 F 8.29 4.38 0.00 3.23 3.25 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 0.00 157 A 8.10 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.12 3.90 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 0.00 159 L 7.62 3.81 0.00 0.96 0.70 0.70 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.01 4.13 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 0.00 161 G 8.14 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.69 2.06 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 1.46 0.97 0.94 0.00 0.00 163 A 8.04 4.14 1.40 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 0.00 164 L 7.79 4.08 0.00 1.80 1.74 0.93 0.73 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 0.00 165 T 8.03 4.33 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 1.27 0.00 0.00 166 S 7.93 4.80 0.00 3.91 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 0.00 167 S 8.20 4.35 0.00 3.85 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 0.00 168 R 8.03 4.04 0.00 1.96 1.97 0.00 3.14 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 169 P 0.00 4.19 0.00 2.15 2.11 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 170 D 8.03 4.55 0.00 2.77 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 0.00 171 Q 8.04 4.52 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 172 R 7.64 3.84 0.00 2.07 1.91 0.00 3.13 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 173 A 7.90 3.96 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 0.00 174 Q 8.10 3.88 0.00 2.13 2.27 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 2.43 2.44 0.00 175 A 8.22 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 E 8.35 3.91 0.00 2.22 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 2.33 2.45 0.00 177 R 8.12 3.98 0.00 1.99 1.98 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 178 L 8.22 4.04 0.00 1.86 1.72 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 179 L 8.20 4.02 0.00 1.89 1.75 0.97 1.23 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 0.00 180 D 8.17 4.35 0.00 2.88 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 0.00 181 L 7.96 3.93 0.00 1.86 1.85 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 182 V 7.67 3.59 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 0.89 0.00 0.00 0.99 0.00 0.00 183 L 8.22 4.15 0.00 1.92 1.72 0.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 184 D 8.63 4.52 0.00 2.89 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 0.00 185 G 7.85 3.74 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 0.00 0.00 0.00 186 L 7.75 4.38 0.00 1.90 1.70 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 187 R 7.21 4.28 0.00 1.96 1.87 0.00 3.18 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 188 P 0.00 4.41 0.00 2.03 1.98 0.00 3.71 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 2.03 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.