NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4632 8.3349 115.2961 58.4412 63.5734 173.2649 4 N 4.9830 8.4631 123.2626 52.7857 39.5982 175.3390 5 Q 4.0358 8.9226 122.2876 59.3984 29.7873 178.1026 6 T 3.8992 7.9419 116.2986 66.7270 68.4964 176.6524 7 V 3.6211 7.6641 119.4221 65.9183 31.6857 177.0544 8 Y 3.5248 7.9744 119.6604 60.8314 38.5876 178.1628 9 Q 4.0129 8.5581 120.6045 58.9308 29.1831 177.6329 10 F 3.8746 8.1312 121.4346 61.3904 39.1686 177.1653 11 I 3.6921 7.7594 117.8296 64.3029 36.9625 177.8682 12 A 3.9726 7.6053 120.4395 55.1660 18.3338 179.0677 13 E 4.1402 7.9247 114.4423 57.4110 29.9377 176.9387 14 N 4.8528 7.3491 116.6800 52.3559 40.0424 176.9022 15 Q 3.8453 8.2377 119.0696 59.2071 28.9702 178.0275 16 N 4.2344 7.9150 116.8325 56.1774 38.6215 176.7666 17 E 3.8168 8.0084 120.1595 59.4247 29.7066 178.7305 18 L 3.2545 7.8151 119.0233 57.2451 41.4305 179.2672 19 L 3.8980 7.8637 120.4255 58.1227 42.0815 178.8480 20 Q 3.8993 7.7808 118.9994 59.0557 29.0540 177.7794 21 L 3.8992 7.9889 121.6925 58.2178 42.1110 179.1217 22 W 4.1834 8.3548 118.9972 59.7943 28.8538 178.8261 23 T 4.0757 8.2454 116.0993 66.7548 67.8088 176.5369 24 D 4.4260 8.3376 120.8971 57.4082 40.7309 178.8516 25 T 3.8954 8.0883 116.3391 66.7299 68.5427 176.4823 26 L 3.9336 8.1604 120.6845 57.7136 41.5112 179.7974 27 K 3.6261 7.9525 118.2098 59.2913 31.8056 178.8456 28 E 3.9040 8.1612 118.4081 59.5252 29.8405 178.6412 29 L 4.1079 8.0998 119.1889 57.7089 41.5763 179.6563 30 S 4.2719 8.2508 114.1696 61.1645 62.7205 176.2603 31 E 4.0419 7.8575 121.4475 58.7015 29.2192 178.1084 32 Q 4.3741 7.9194 115.9964 55.2712 29.3619 175.3346 33 E 4.4792 7.4812 120.4749 54.5722 31.1851 176.4779 34 S 4.2872 8.2306 114.4970 60.7139 63.6725 173.3633 35 Y 4.9760 6.9523 117.4130 55.2279 41.1054 173.3624 36 Q 4.9994 8.6473 118.2394 54.1467 31.4314 176.3786 37 L 4.4199 8.8033 123.3579 54.1455 43.8264 176.8375 38 T 4.4736 7.7301 109.1793 60.9988 71.5715 174.9189 39 D 4.5573 8.7006 121.7195 58.0974 40.8082 179.3071 40 Q 3.9835 8.0613 119.1376 58.9224 29.1001 177.9752 41 V 3.5223 7.7534 119.3508 66.4419 31.5483 177.7223 42 Y 4.4569 7.6645 116.2726 61.0027 37.6510 177.9594 43 E 4.3938 8.6536 122.0499 58.9690 29.6595 178.7372 44 N 4.4548 8.4996 116.4735 56.2657 38.5030 177.3337 45 I 3.8568 7.9318 121.2587 64.6969 37.2061 178.5784 46 S 4.3851 8.4145 115.7622 61.5605 62.7153 176.7290 47 K 4.0471 8.6526 122.6305 59.7744 32.0141 178.6781 48 E 4.1035 8.6181 119.0573 59.5424 29.2469 178.8534 49 Y 4.2479 8.6289 119.8629 60.8710 38.9297 177.7928 50 I 3.8695 8.4855 121.1234 64.7352 37.2330 178.1041 51 D 4.3969 8.3002 119.5454 57.3285 40.4315 178.7250 52 I 3.6702 7.5151 119.1792 64.4577 37.4139 177.9368 53 L 4.0372 7.8645 119.7454 57.9625 41.3472 179.3960 54 L 4.2401 7.8108 115.9757 56.2802 41.8276 178.3086 55 L 4.5115 7.8242 117.7909 55.1399 42.0655 177.0494 56 S 5.2236 8.1448 115.0121 56.8368 63.5324 175.7730 57 V 4.0025 8.3063 122.4952 64.7427 30.9751 177.0709 58 K 4.1055 7.8605 120.2534 57.0451 32.8049 175.7930 59 D 4.3556 7.0648 115.2606 53.0536 40.9187 175.3047 60 E 4.2232 8.3244 115.7089 57.6268 30.2200 178.2328 61 N 4.3563 8.5844 118.6921 56.4110 38.8580 177.3836 62 A 3.9418 7.9668 119.3506 54.8334 18.8019 178.0225 63 A 4.7379 7.3926 115.2093 51.5688 18.9619 178.7212 64 E 3.8674 7.8512 123.2477 61.1096 29.6275 179.3339 65 S 4.1647 8.0240 113.4175 61.6036 62.9214 176.2667 66 Q 4.0297 8.0139 121.1562 58.6529 28.4692 178.5156 67 I 3.8415 7.9638 120.9510 64.3719 37.1847 178.3696 68 S 4.0928 8.1108 113.9095 61.5736 62.1672 176.1391 69 E 3.9897 8.3236 121.2414 59.1839 29.0999 179.1307 70 L 3.9827 8.2918 120.3914 57.9806 42.3362 178.6769 71 A 4.1341 8.3488 121.1032 55.3478 18.3816 179.3986 72 L 3.7112 7.9018 118.6511 58.2450 42.1762 179.1250 73 R 3.8766 8.3174 118.6588 59.1224 29.9847 178.1830 74 A 4.1122 8.3356 120.9604 55.2647 18.5496 179.6653 75 V 3.5398 7.4567 116.0630 66.4840 31.3193 178.3703 76 Q 4.0348 7.8514 116.4233 58.3190 28.6461 177.7233 77 I 4.1655 7.7197 111.8158 61.2018 38.0772 176.6553 78 G 4.4142 7.7338 108.2604 46.7903 0.0000 173.4164 79 L 4.1582 7.8826 120.4158 53.9938 43.0887 178.0357 80 S 5.0640 8.1365 121.3903 57.2583 62.6920 176.1058 *82 K 3.9716 8.8169 116.7662 56.1593 33.5874 177.2601 83 F 3.9293 8.5173 120.6513 61.0389 39.1946 176.6352 84 L 3.8556 8.2074 119.8475 58.2742 41.9353 178.8196 85 A 4.0193 7.6206 120.0014 55.3420 18.2601 179.5433 86 T 3.5844 7.9909 114.3268 66.5325 68.4142 176.6804 87 A 3.4250 7.6326 122.8732 54.9826 17.8235 179.6290 88 L 3.0819 7.7148 117.5474 57.4369 41.4941 179.4380 89 A 4.1173 7.8453 120.6647 55.5693 18.2402 179.6901 90 E 3.6359 7.8546 116.6877 59.0956 29.4299 179.4792 91 F 4.2347 8.0563 118.5975 60.5144 38.8724 177.8123 92 W 4.0196 7.6464 115.3179 59.2547 27.8549 178.5457 93 K 3.4077 6.7331 119.6113 59.1509 31.2227 179.5512 94 R 3.9980 8.2585 118.6939 58.9779 29.7160 178.8571 95 L 4.0358 8.0071 119.6089 58.1822 42.2077 177.8985 96 Y 4.2661 8.1685 118.7348 61.2009 38.8893 177.8420 97 T 3.8410 7.9236 116.3763 66.6602 68.1404 176.7967 98 K 4.2028 7.4131 116.2889 57.2877 31.4521 178.2339 *100 N 4.2093 8.0226 119.6087 53.6031 40.4481 175.0148 101 D 4.4636 7.5265 116.7244 57.3202 40.9420 178.0824 102 K 4.0603 7.2899 115.9023 57.9362 32.9002 177.3555 *108 E 4.1389 7.9164 118.4375 55.8722 31.0699 176.3674 109 S 4.2459 8.6547 120.3484 62.0137 63.0867 176.7048 110 T 3.6199 7.9486 117.7744 66.7033 68.1898 175.6495 111 E 4.1160 8.3790 120.5077 59.4945 29.4449 178.4272 112 L 4.1735 7.8503 119.4787 58.3836 42.1005 178.9807 113 I 3.6520 7.6383 119.5517 64.2795 36.9880 178.5362 114 W 4.6121 7.8977 119.6454 59.8089 28.9775 178.4677 115 Q 4.1464 8.5343 118.2988 59.2005 28.1535 179.2026 116 I 3.9882 8.0685 120.6403 64.5460 37.1276 177.9221 117 D 4.0020 8.2025 118.9297 57.2646 40.8019 178.1251 118 R 3.8991 7.9379 117.9473 59.4477 30.1183 178.0270 119 F 4.2008 7.9871 118.5453 61.5180 39.7212 176.8731 120 F 4.1658 8.8397 117.8062 60.1319 38.7821 177.6982 121 S 4.0500 8.3362 113.1941 61.2553 62.2617 174.7192 122 P 4.3449 0.0000 0.0000 64.3863 31.1230 178.7202 123 I 3.5611 7.4639 118.6033 64.4791 37.1022 177.9897 124 N 4.1009 8.2890 117.7090 56.3443 37.8194 177.7050 125 T 3.7177 7.8238 111.2439 64.4646 68.7639 176.2711 126 E 3.9372 7.9031 121.7299 59.2097 29.6122 178.8516 127 I 3.7668 7.7063 119.7848 64.3634 37.2409 178.4430 128 F 4.5334 7.9166 118.5959 60.7240 38.7614 177.1043 129 N 4.4256 8.5935 116.9081 57.1002 38.8731 176.9273 130 Q 4.1019 8.4940 119.2482 58.6058 27.8284 177.9953 131 Y 3.9306 8.4024 121.1534 60.9207 38.8880 178.1823 132 S 4.6508 8.4143 113.8081 61.4694 62.2782 176.0873 133 I 3.7878 7.8925 122.0221 64.2771 36.8446 177.9043 134 S 4.1207 7.6677 115.1224 61.4399 62.6557 176.6957 135 W 4.5888 7.2308 116.9537 59.7157 29.1694 176.8565 136 E 4.3566 8.3592 121.5115 56.9761 29.2013 176.9102 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 S 8.33 4.46 0.00 3.86 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 4 N 8.46 4.98 0.00 3.10 3.05 0.00 0.00 7.14 6.85 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 5 Q 8.92 4.04 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.90 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 6 T 7.94 3.90 4.29 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 1.25 0.00 0.00 7 V 7.66 3.62 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 0.85 0.00 0.00 1.01 0.00 0.00 8 Y 7.97 3.52 0.00 3.11 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 9 Q 8.56 4.01 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 10 F 8.13 3.87 0.00 3.34 3.12 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 11 I 7.76 3.69 1.74 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.89 0.90 0.00 0.00 12 A 7.61 3.97 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 13 E 7.92 4.14 0.00 1.75 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 2.25 2.33 0.00 14 N 7.35 4.85 0.00 2.26 2.42 0.00 0.00 6.84 8.65 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 15 Q 8.24 3.85 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.52 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 16 N 7.92 4.23 0.00 2.65 2.80 0.00 0.00 6.70 7.66 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 17 E 8.01 3.82 0.00 1.92 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 2.32 0.00 18 L 7.82 3.25 0.00 1.18 0.13 0.81 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.86 3.90 0.00 1.81 1.84 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.78 3.90 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 21 L 7.99 3.90 0.00 1.70 1.53 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 W 8.35 4.18 0.00 3.09 1.79 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 23 T 8.25 4.08 4.34 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 1.37 0.00 0.00 24 D 8.34 4.43 0.00 2.87 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 25 T 8.09 3.90 4.71 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 1.35 0.00 0.00 26 L 8.16 3.93 0.00 1.90 1.42 1.32 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.95 3.63 0.00 1.95 1.85 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.53 7.81 28 E 8.16 3.90 0.00 1.97 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 2.30 2.34 0.00 29 L 8.10 4.11 0.00 1.69 1.46 0.55 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.25 4.27 0.00 4.10 4.06 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 0.00 0.00 0.00 31 E 7.86 4.04 0.00 2.09 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 2.59 2.51 0.00 32 Q 7.92 4.37 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 33 E 7.48 4.48 0.00 2.02 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.08 0.00 34 S 8.23 4.29 0.00 4.04 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 35 Y 6.95 4.98 0.00 3.14 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 36 Q 8.65 5.00 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 37 L 8.80 4.42 0.00 0.92 1.39 0.88 1.25 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 38 T 7.73 4.47 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 1.19 0.00 0.00 39 D 8.70 4.56 0.00 2.84 2.87 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 40 Q 8.06 3.98 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 41 V 7.75 3.52 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 0.71 0.00 0.00 0.84 0.00 0.00 42 Y 7.66 4.46 0.00 3.19 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 43 E 8.65 4.39 0.00 2.16 2.16 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 2.38 2.30 0.00 44 N 8.50 4.45 0.00 3.03 2.91 0.00 0.00 7.06 6.82 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 45 I 7.93 3.86 2.29 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.89 1.14 0.00 0.00 46 S 8.41 4.39 0.00 4.17 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 47 K 8.65 4.05 0.00 2.01 2.05 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.69 7.81 48 E 8.62 4.10 0.00 2.43 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 2.41 2.51 0.00 49 Y 8.63 4.25 0.00 3.27 3.35 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 50 I 8.49 3.87 2.18 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 1.95 1.03 0.98 0.00 0.00 51 D 8.30 4.40 0.00 2.96 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 52 I 7.52 3.67 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.58 0.79 0.00 0.00 53 L 7.86 4.04 0.00 1.83 1.85 1.36 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.81 4.24 0.00 1.67 1.79 0.88 0.50 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 55 L 7.82 4.51 0.00 1.86 1.73 0.97 0.70 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 56 S 8.14 5.22 0.00 3.63 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.00 1.68 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 0.50 0.00 0.00 0.51 0.00 0.00 58 K 7.86 4.11 0.00 1.70 1.82 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.39 7.81 59 D 7.06 4.36 0.00 2.81 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 60 E 8.32 4.22 0.00 2.05 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 2.31 2.22 0.00 61 N 8.58 4.36 0.00 2.89 2.88 0.00 0.00 6.83 7.30 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 62 A 7.97 3.94 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 63 A 7.39 4.74 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 64 E 7.85 3.87 0.00 2.08 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 2.31 2.34 0.00 65 S 8.02 4.16 0.00 4.09 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 66 Q 8.01 4.03 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 67 I 7.96 3.84 2.11 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 1.42 0.82 0.94 0.00 0.00 68 S 8.11 4.09 0.00 3.91 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 0.00 69 E 8.32 3.99 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 2.33 2.40 0.00 70 L 8.29 3.98 0.00 1.86 1.97 1.07 1.31 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 71 A 8.35 4.13 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 72 L 7.90 3.71 0.00 1.75 1.69 0.71 0.68 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 73 R 8.32 3.88 0.00 1.97 1.95 0.00 3.18 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 74 A 8.34 4.11 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 0.00 0.00 0.00 0.00 0.00 75 V 7.46 3.54 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 0.41 0.00 0.00 -0.04 0.00 0.00 76 Q 7.85 4.03 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 77 I 7.72 4.17 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.60 0.97 0.00 0.00 78 G 7.73 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 0.00 0.00 0.00 0.00 79 L 7.88 4.16 0.00 1.95 1.75 1.15 0.30 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 80 S 8.14 5.06 0.00 4.02 3.58 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 0.00 *82 K 8.82 3.97 0.00 1.80 1.84 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.44 7.81 83 F 8.52 3.93 0.00 3.11 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 84 L 8.21 3.86 0.00 1.87 1.50 0.96 1.48 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 85 A 7.62 4.02 0.73 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 86 T 7.99 3.58 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 0.99 0.00 0.00 87 A 7.63 3.43 0.63 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 0.00 0.00 88 L 7.71 3.08 0.00 1.69 1.66 0.96 -0.21 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 89 A 7.85 4.12 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 90 E 7.85 3.64 0.00 1.98 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 2.25 2.35 0.00 91 F 8.06 4.23 0.00 2.72 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 0.00 0.00 0.00 92 W 7.65 4.02 0.00 2.96 2.46 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 93 K 6.73 3.41 0.00 1.36 1.47 0.00 1.22 0.00 0.00 1.13 0.00 0.00 2.59 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.21 7.81 94 R 8.26 4.00 0.00 2.12 2.07 0.00 3.23 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 95 L 8.01 4.04 0.00 2.09 2.15 1.10 1.38 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 96 Y 8.17 4.27 0.00 3.09 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 97 T 7.92 3.84 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 1.17 0.00 0.00 98 K 7.41 4.20 0.00 1.88 1.95 0.00 1.73 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.57 7.81 *100 N 8.02 4.21 0.00 1.67 2.35 0.00 0.00 7.15 8.47 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 0.00 101 D 7.53 4.46 0.00 2.79 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 0.00 102 K 7.29 4.06 0.00 1.80 1.94 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.50 7.81 *108 E 7.92 4.14 0.00 2.09 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 2.33 2.44 0.00 109 S 8.65 4.25 0.00 3.93 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 0.00 110 T 7.95 3.62 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 1.33 0.00 0.00 111 E 8.38 4.12 0.00 2.13 2.28 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 2.47 2.49 0.00 112 L 7.85 4.17 0.00 1.88 2.04 0.99 0.89 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 0.00 113 I 7.64 3.65 1.33 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.40 0.22 0.00 0.00 114 W 7.90 4.61 0.00 3.51 3.10 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 0.00 115 Q 8.53 4.15 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 116 I 8.07 3.99 2.11 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.00 1.16 0.00 0.00 117 D 8.20 4.00 0.00 2.63 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 0.00 118 R 7.94 3.90 0.00 2.19 2.20 0.00 3.39 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 1.70 1.68 0.00 119 F 7.99 4.20 0.00 3.10 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 0.00 120 F 8.84 4.17 0.00 3.11 3.06 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 0.00 0.00 0.00 121 S 8.34 4.05 0.00 4.04 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 0.00 122 P 0.00 4.34 0.00 2.18 2.00 0.00 3.90 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 1.98 1.96 0.00 123 I 7.46 3.56 1.82 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.76 0.00 0.00 124 N 8.29 4.10 0.00 2.56 2.30 0.00 0.00 6.85 7.88 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 0.00 125 T 7.82 3.72 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 1.29 0.00 0.00 126 E 7.90 3.94 0.00 2.22 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 0.00 2.28 2.39 0.00 127 I 7.71 3.77 1.86 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.56 1.05 0.00 0.00 128 F 7.92 4.53 0.00 3.17 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 0.00 129 N 8.59 4.43 0.00 3.03 3.03 0.00 0.00 7.29 8.03 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 0.00 130 Q 8.49 4.10 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 131 Y 8.40 3.93 0.00 3.33 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 0.00 132 S 8.41 4.65 0.00 4.20 4.01 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 0.00 0.00 0.00 133 I 7.89 3.79 2.12 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 1.57 0.84 0.92 0.00 0.00 134 S 7.67 4.12 0.00 3.51 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 W 7.23 4.59 0.00 3.44 3.13 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 0.00 136 E 8.36 4.36 0.00 2.01 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 2.43 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.