NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9477 8.1400 114.7961 57.7859 64.6967 173.9420 2 L 4.0084 8.7150 124.3996 58.4585 41.7563 178.2749 3 L 4.0686 8.7892 119.7903 57.8637 41.9573 178.7738 4 E 4.0437 8.1482 118.1633 59.3078 29.3078 179.0105 5 F 4.6602 8.8579 121.2782 61.5876 39.4686 177.4557 6 G 3.5243 8.4579 105.3396 47.5479 0.0000 175.6352 7 K 4.0119 8.2522 122.0223 59.4552 32.2757 178.5681 8 M 4.2925 8.4980 118.8268 58.7576 32.0612 178.2142 9 I 3.6001 7.9698 120.2677 64.2554 37.1919 178.1518 10 L 4.4567 7.8470 122.3434 57.7486 41.7121 178.6861 11 E 3.9823 8.2211 117.5898 59.4965 29.4958 178.8414 12 E 4.1062 8.1720 118.2294 58.9588 29.9239 177.9876 13 T 4.4496 8.1390 107.2538 60.7418 70.3465 175.6885 14 G 3.7842 8.2922 109.8946 45.8264 0.0000 173.1226 *16 K 4.4649 7.4310 117.8046 55.8437 33.5084 175.1297 17 L 4.3443 8.1734 122.1755 54.3710 42.5798 177.8425 18 A 4.0233 8.9314 126.6213 54.8260 18.5008 177.1556 19 I 4.6502 7.6754 116.3625 59.4015 38.2149 173.7012 20 P 4.9300 0.0000 0.0000 61.8337 31.8374 176.5936 21 S 4.2828 8.0325 115.7458 60.8525 62.7345 174.5611 22 Y 4.7280 8.2111 114.8854 57.3793 39.2044 176.1491 23 S 4.7266 8.1613 115.6815 59.5959 63.9360 175.5302 24 S 4.7066 7.8125 116.3572 57.9247 63.4269 172.2546 25 Y 4.6445 8.1917 121.6146 58.1819 40.1409 175.3409 26 G 3.4530 8.2548 116.7424 46.8535 0.0000 173.2641 27 C 4.5493 9.6207 117.0217 57.9253 40.9023 173.9278 28 Y 4.4278 8.5462 114.5970 57.5106 39.7213 174.8635 29 C 4.7662 8.5067 118.9878 57.7709 40.7742 172.8615 30 G 4.7749 10.6461 112.7347 46.9436 0.0000 174.1517 31 W 4.7538 8.2949 125.2836 58.7011 31.8634 173.4821 32 G 3.3826 7.4009 103.8453 42.8395 0.0000 172.6272 33 G 3.6580 7.5607 111.6974 44.4172 0.0000 173.9553 34 K 4.6589 7.0433 119.5054 54.8141 35.9468 176.2060 35 G 4.5112 9.4183 106.0660 45.2637 0.0000 173.2641 36 T 4.1995 8.0249 115.8290 61.7760 69.0627 173.5470 37 P 4.6496 0.0000 0.0000 63.0433 31.8925 176.8357 38 K 3.7857 8.7059 121.2274 59.0639 32.3979 176.1512 39 D 4.4294 7.2317 115.6066 51.5346 41.8402 175.5866 40 A 4.0194 8.5848 119.8047 55.8028 18.0758 179.7921 41 T 4.0316 8.0933 113.8063 67.0646 68.5250 176.1151 42 D 4.6203 8.9868 120.1257 57.5442 41.1419 178.5090 43 R 3.9573 8.2605 118.7001 59.1786 29.9277 178.1967 44 C 4.1862 8.3675 116.5745 60.4556 38.5816 175.6612 45 C 4.3539 8.2161 117.9547 59.7244 40.9932 175.7808 46 F 3.6453 8.5042 122.7226 61.3423 38.9334 177.4371 47 V 3.4588 8.1128 117.9449 66.1024 31.2112 177.3992 48 H 3.8810 8.2896 118.1380 59.1753 29.5846 176.9785 49 D 4.1142 8.2277 121.0311 57.5402 40.6407 178.1101 50 C 4.0501 7.8177 116.9684 59.9386 39.8885 175.3743 51 C 4.1112 8.0424 119.4270 60.0229 44.2101 175.0120 52 Y 4.3514 8.0609 118.5862 61.0257 37.1618 178.8108 53 G 3.5823 8.0484 105.8718 47.3917 0.0000 174.9793 54 N 4.5648 7.8952 117.1606 54.3307 39.8130 174.9814 55 L 4.8340 7.5508 119.8111 52.6672 42.0860 175.0887 56 P 4.1796 0.0000 0.0000 65.7099 32.3047 178.4453 *59 D 4.9642 7.8853 117.2585 54.3306 42.4421 175.3457 *61 C 5.2232 7.6566 115.9634 57.3310 41.9311 172.9579 *67 N 4.7537 8.3112 116.4642 52.8374 38.4413 173.6978 68 P 4.0560 0.0000 0.0000 64.8587 32.2047 179.9975 69 K 4.0819 8.0822 119.1794 58.5380 32.1906 178.4589 70 S 4.4532 7.7433 110.9325 58.6340 64.9627 174.0128 71 D 4.4119 8.1886 121.5044 53.9239 41.3475 175.4126 72 R 4.4866 8.4047 125.7955 55.0322 31.4805 175.0222 73 Y 4.9684 7.8059 119.0315 55.0322 41.1936 174.6055 74 K 5.0054 8.5659 118.7390 55.0263 35.3044 174.9866 75 Y 5.4983 8.2600 120.1630 55.7640 41.5226 173.2803 76 K 4.6982 9.2465 118.9493 55.4590 36.9687 174.5677 77 R 5.2023 8.5502 118.2715 54.3986 32.6631 176.2958 78 V 4.2705 8.6946 123.2703 61.8835 34.1370 175.1866 79 N 4.1957 8.4648 127.3236 54.9451 36.4428 176.2312 80 G 3.9161 8.8515 116.1294 46.2295 0.0000 172.6961 81 A 4.3686 7.9131 123.4646 51.3421 19.9193 177.0953 82 I 4.4708 8.3498 123.3541 61.1161 38.3346 175.6658 83 V 4.3579 9.0287 127.0117 61.0184 34.0591 173.9128 84 C 4.8283 8.8769 126.3639 57.1404 40.5671 173.5751 85 E 4.5997 8.9847 123.8250 54.9266 30.9591 176.2270 86 K 4.4420 7.9212 122.8955 55.7606 33.5281 175.3281 *88 G 4.2213 8.2885 115.3233 45.2954 0.0000 172.7896 89 T 4.2202 8.8207 115.3454 60.9825 71.0178 175.7906 90 S 4.0846 8.4991 116.3745 61.8816 62.8402 177.1691 91 C 4.2327 8.1397 119.6483 59.7728 40.1832 175.7782 92 E 4.0079 8.0943 119.7782 59.4875 28.5163 179.1820 93 N 4.2724 8.3331 116.5096 56.5014 38.6272 177.7719 94 R 3.9182 8.0109 119.3561 59.1045 30.1086 179.1622 95 I 3.6331 8.0914 120.1098 64.4694 37.1172 177.5459 96 C 2.9661 7.9983 119.4182 59.4086 39.6800 175.5314 97 E 3.8088 7.9830 120.0312 59.3925 28.9607 178.7197 98 C 4.1610 8.0428 116.6039 60.0866 40.1898 175.9646 99 D 3.8133 7.9974 120.4152 56.9398 40.3674 178.4935 100 K 3.6774 8.2118 120.3457 59.5496 32.0614 178.5186 101 A 3.8533 7.7865 120.4847 55.1262 18.2427 179.4843 102 A 3.5008 7.7693 119.0180 54.9723 18.3817 179.7490 103 A 3.8380 8.1643 119.5494 55.2872 18.3861 179.8978 104 I 3.6153 7.7716 118.3945 64.6306 36.9435 177.8026 105 C 4.1967 8.1006 118.4940 59.6816 37.8591 175.3060 106 F 4.6118 8.1390 119.7607 60.6449 38.1043 177.5750 107 R 3.9394 8.1321 118.3276 59.5800 29.7123 178.3648 108 Q 4.1326 8.4170 118.0902 58.0329 29.2284 176.2433 109 N 5.0861 7.7096 115.4317 52.9051 39.8148 176.1944 110 L 4.1870 7.9061 121.8533 57.7894 41.8059 179.3340 111 N 4.4827 8.3242 115.0745 55.0466 37.2737 175.4716 112 T 4.5531 7.7895 106.7330 60.8895 69.3597 173.5994 113 Y 4.1166 7.8605 124.0993 58.4582 39.4257 175.0172 114 S 4.8523 8.8113 120.7049 56.0738 64.9795 174.8510 115 K 4.0895 8.8610 127.6364 59.0999 32.0305 179.0393 116 K 3.9064 7.6884 116.7366 59.1505 32.5960 177.0482 117 Y 4.4300 7.2556 116.4619 58.2538 38.2010 175.3649 118 M 4.4184 7.5836 120.7697 56.3354 32.4801 175.9509 119 L 3.6759 8.3657 121.2445 55.6678 39.9974 174.4926 120 Y 4.1761 7.6458 119.5917 56.7523 39.5670 173.7831 121 P 4.3739 0.0000 0.0000 62.2991 32.4882 176.4948 122 D 4.2480 8.9597 121.4961 57.3700 41.1164 178.0617 *124 F 4.7688 7.8306 110.8510 56.4328 39.5235 175.1895 125 L 3.7832 6.9674 119.6285 55.0035 41.3710 176.2113 126 C 4.8616 8.1113 117.9397 54.9334 40.5535 173.0765 127 K 4.6900 8.3923 123.2652 55.3603 35.4695 177.0852 128 G 4.1989 8.8731 107.7627 45.8284 0.0000 172.0807 129 E 4.6637 8.3237 121.3813 54.5887 30.8162 175.3398 130 L 4.7173 8.4071 126.3734 52.8833 44.6291 176.1057 131 K 4.1288 8.4947 125.9159 56.5829 32.9178 177.9618 *133 C 4.9186 8.5669 118.4959 57.4892 41.5380 173.7478 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 S 8.14 4.95 0.00 4.14 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 2 L 8.71 4.01 0.00 1.92 1.85 1.22 0.59 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 3 L 8.79 4.07 0.00 1.76 1.74 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.15 4.04 0.00 2.01 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 0.00 2.25 2.23 0.00 5 F 8.86 4.66 0.00 3.41 3.40 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 6 G 8.46 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 4.01 0.00 1.91 2.07 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.51 7.81 8 M 8.50 4.29 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 9 I 7.97 3.60 1.80 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.08 0.60 0.00 0.00 10 L 7.85 4.46 0.00 1.77 1.83 0.91 0.63 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 11 E 8.22 3.98 0.00 2.23 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 2.41 2.52 0.00 12 E 8.17 4.11 0.00 2.21 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 2.30 2.45 0.00 13 T 8.14 4.45 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 1.21 0.00 0.00 14 G 8.29 3.78 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 0.00 0.00 0.00 *16 K 7.43 4.46 0.00 1.90 1.63 0.00 1.38 0.00 0.00 0.89 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.26 7.81 17 L 8.17 4.34 0.00 1.71 1.74 0.92 0.78 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 18 A 8.93 4.02 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 19 I 7.68 4.65 1.91 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 1.54 0.72 0.95 0.00 0.00 20 P 0.00 4.93 0.00 2.19 2.15 0.00 3.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 8.03 4.28 0.00 3.78 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 22 Y 8.21 4.73 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.16 4.73 0.00 4.11 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 0.00 24 S 7.81 4.71 0.00 4.01 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 25 Y 8.19 4.64 0.00 3.02 2.86 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 26 G 8.25 3.45 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 0.00 27 C 9.62 4.55 0.00 2.99 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 28 Y 8.55 4.43 0.00 3.41 3.28 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 29 C 8.51 4.77 0.00 3.60 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 10.65 4.77 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 0.00 0.00 0.00 31 W 8.29 4.75 0.00 3.24 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 32 G 7.40 3.38 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 0.00 33 G 7.56 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 34 K 7.04 4.66 0.00 2.03 1.80 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.24 1.53 7.81 35 G 9.42 4.51 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 0.00 36 T 8.02 4.20 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 1.15 0.00 0.00 37 P 0.00 4.65 0.00 1.94 2.05 0.00 3.46 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 1.53 1.76 0.00 38 K 8.71 3.79 0.00 0.79 0.74 0.00 1.65 0.00 0.00 1.36 0.00 0.00 2.65 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.88 0.21 7.81 39 D 7.23 4.43 0.00 2.84 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 40 A 8.58 4.02 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 41 T 8.09 4.03 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 0.99 0.00 0.00 42 D 8.99 4.62 0.00 3.01 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 43 R 8.26 3.96 0.00 2.09 1.96 0.00 3.11 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 44 C 8.37 4.19 0.00 3.32 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.22 4.35 0.00 3.40 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 46 F 8.50 3.65 0.00 2.59 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.11 3.46 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 0.84 0.00 0.00 1.05 0.00 0.00 48 H 8.29 3.88 0.00 3.10 3.28 0.00 5.64 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 49 D 8.23 4.11 0.00 2.63 2.59 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 0.00 0.00 0.00 50 C 7.82 4.05 0.00 2.92 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.04 4.11 0.00 2.92 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.06 4.35 0.00 3.02 2.81 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 53 G 8.05 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 0.00 0.00 0.00 54 N 7.90 4.56 0.00 2.85 2.85 0.00 0.00 6.78 7.94 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 55 L 7.55 4.83 0.00 1.59 1.51 0.87 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.18 0.00 2.19 2.28 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 *59 D 7.89 4.96 0.00 2.76 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 *61 C 7.66 5.22 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 N 8.31 4.75 0.00 2.73 2.76 0.00 0.00 7.37 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 68 P 0.00 4.06 0.00 0.91 1.20 0.00 3.44 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.08 0.00 69 K 8.08 4.08 0.00 1.83 1.93 0.00 1.62 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.43 7.81 70 S 7.74 4.45 0.00 3.93 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 71 D 8.19 4.41 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.40 4.49 0.00 1.80 1.88 0.00 3.16 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 73 Y 7.81 4.97 0.00 3.06 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 74 K 8.57 5.01 0.00 1.75 1.90 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.26 5.50 0.00 3.11 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 76 K 9.25 4.70 0.00 1.79 1.92 0.00 1.28 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.43 7.81 77 R 8.55 5.20 0.00 1.72 2.06 0.00 3.38 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 78 V 8.69 4.27 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 1.02 0.00 0.00 0.95 0.00 0.00 79 N 8.46 4.20 0.00 2.94 2.10 0.00 0.00 7.04 7.65 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 80 G 8.85 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 81 A 7.91 4.37 1.34 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 0.00 0.00 82 I 8.35 4.47 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.79 0.00 0.00 83 V 9.03 4.36 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 1.08 0.00 0.00 0.96 0.00 0.00 84 C 8.88 4.83 0.00 2.97 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 85 E 8.98 4.60 0.00 2.06 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 0.00 2.34 2.31 0.00 86 K 7.92 4.44 0.00 1.80 1.70 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.29 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 0.00 0.00 0.00 0.00 89 T 8.82 4.22 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 90 S 8.50 4.08 0.00 4.05 4.16 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 91 C 8.14 4.23 0.00 2.97 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 92 E 8.09 4.01 0.00 2.33 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 2.56 2.56 0.00 93 N 8.33 4.27 0.00 2.85 2.83 0.00 0.00 7.06 7.25 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 94 R 8.01 3.92 0.00 1.94 1.92 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 95 I 8.09 3.63 2.05 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 1.17 0.62 1.00 0.00 0.00 96 C 8.00 2.97 0.00 2.21 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 97 E 7.98 3.81 0.00 2.08 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 2.44 2.43 0.00 98 C 8.04 4.16 0.00 3.20 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 99 D 8.00 3.81 0.00 2.71 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 0.00 100 K 8.21 3.68 0.00 1.61 1.88 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.37 7.81 101 A 7.79 3.85 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 0.00 102 A 7.77 3.50 1.03 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 0.00 0.00 103 A 8.16 3.84 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 0.00 104 I 7.77 3.62 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.88 0.00 0.00 105 C 8.10 4.20 0.00 2.90 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 0.00 106 F 8.14 4.61 0.00 3.01 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 0.00 107 R 8.13 3.94 0.00 1.96 2.14 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.42 4.13 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 109 N 7.71 5.09 0.00 2.99 2.86 0.00 0.00 6.83 7.26 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 0.00 110 L 7.91 4.19 0.00 1.88 1.76 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.32 4.48 0.00 2.87 3.00 0.00 0.00 5.83 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 0.00 112 T 7.79 4.55 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 1.27 0.00 0.00 113 Y 7.86 4.12 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.81 4.85 0.00 3.78 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 0.00 115 K 8.86 4.09 0.00 1.87 1.88 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.63 7.81 116 K 7.69 3.91 0.00 1.61 1.70 0.00 1.17 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.50 0.33 7.81 117 Y 7.26 4.43 0.00 1.65 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 0.00 0.00 0.00 118 M 7.58 4.42 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.68 0.00 119 L 8.37 3.68 0.00 1.83 1.74 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.65 4.18 0.00 3.04 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.37 0.00 2.41 2.19 0.00 2.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 122 D 8.96 4.25 0.00 2.74 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 *124 F 7.83 4.77 0.00 3.23 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 0.00 125 L 6.97 3.78 0.00 1.16 1.50 0.37 -0.14 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 0.00 126 C 8.11 4.86 0.00 3.05 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 0.00 127 K 8.39 4.69 0.00 1.78 1.67 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.37 7.81 128 G 8.87 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 0.00 0.00 0.00 0.00 129 E 8.32 4.66 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 130 L 8.41 4.72 0.00 1.62 1.53 0.64 0.21 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 0.00 131 K 8.49 4.13 0.00 1.90 1.75 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.50 7.81 *133 C 8.57 4.92 0.00 2.95 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.