NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0615 8.0549 117.9048 60.4114 34.5013 177.6295 4 N 4.4611 7.5628 119.1690 51.7310 40.4427 172.9376 *6 R 4.0203 8.4302 118.8916 55.7342 32.3148 175.2085 7 A 4.1320 8.2568 122.1841 52.2996 18.8830 178.5260 8 E 3.9979 8.7324 120.3060 59.4249 30.0715 178.4055 9 T 4.0138 8.1489 108.0825 64.8158 68.4541 174.5535 10 E 4.3725 7.9969 118.2780 55.6240 29.6266 177.1302 11 S 4.3651 7.4989 116.6570 57.6244 61.2693 173.9014 12 R 4.6495 7.9965 120.1407 55.1699 31.8693 175.5886 13 I 4.5104 7.1208 118.7018 59.2226 39.7618 174.8223 14 F 4.7493 8.6146 122.6249 55.6809 42.1648 174.4932 15 S 4.5197 8.8124 122.0742 57.6060 63.6509 174.7881 16 V 3.6271 8.8529 125.8069 66.4448 30.8177 177.5095 17 D 4.3802 8.2632 117.9119 56.7019 38.7335 178.1274 18 E 3.8835 8.2850 118.4350 58.1029 29.6128 176.9272 19 Y 4.2465 7.7995 114.6526 57.4351 39.3374 176.2688 20 V 3.6252 7.1899 120.8260 63.1848 31.8656 176.2796 21 R 4.4712 7.9772 125.7857 53.0680 30.4364 172.6404 22 P 4.1437 0.0000 0.0000 62.3676 32.2953 176.0795 23 S 4.6659 8.1231 115.0162 57.0051 65.3341 173.5960 24 N 4.7075 8.9347 122.7849 54.0670 39.2217 175.3517 25 G 4.4123 7.4351 108.2943 43.8015 0.0000 172.6721 26 E 3.9980 8.8825 119.2688 56.1997 29.9786 175.3145 27 P 4.4254 0.0000 0.0000 63.2016 32.0375 175.7263 28 I 4.0930 8.1433 122.3305 60.2845 37.9870 176.4286 29 R 2.5100 8.1213 125.7469 55.2341 28.5758 174.7807 30 S 4.3028 7.1748 118.8647 56.4555 62.9945 172.6904 31 V 3.8589 8.0042 127.9442 63.0020 31.5052 175.5976 32 V 3.2989 8.5357 129.0733 64.6133 32.0303 175.9218 33 L 4.3306 7.0940 120.2251 53.7431 45.4628 172.6844 34 E 5.1120 8.7781 127.0185 54.6644 32.0804 174.7829 35 T 4.7727 8.8171 115.8317 59.7290 72.5074 174.4625 36 N 4.3972 8.6881 117.9212 56.2730 38.6668 177.3228 37 D 4.4533 7.9719 116.6429 56.6932 41.6759 176.1990 38 S 4.8822 7.8138 112.4416 57.6064 68.3106 174.1407 39 V 4.6733 8.6183 122.0134 61.1519 34.1520 174.3048 40 V 4.8198 8.6451 128.1224 61.1137 33.7699 174.3969 41 V 4.5346 8.6775 127.3083 60.9499 35.4343 174.0142 42 V 4.3237 8.1208 127.1549 61.1238 33.1516 174.3850 43 W 4.6757 8.0239 127.9692 55.0592 31.7033 174.6169 44 H 5.2912 8.7628 121.8597 54.4145 32.4628 172.1528 45 A 5.0204 8.9464 126.7915 50.3622 22.1790 175.3462 46 H 4.7671 9.6982 119.8786 54.5528 30.4753 173.4350 47 P 4.4227 0.0000 0.0000 64.8551 31.4292 177.0426 48 G 4.0287 9.4601 112.2624 45.3261 0.0000 173.7383 49 Q 4.4165 7.9555 118.2534 55.8133 29.6127 175.4215 50 E 5.0074 8.6055 119.9088 54.7019 33.3432 175.7026 51 I 4.1189 8.7009 124.4228 59.8803 38.2855 175.3602 52 A 4.4170 8.5341 129.5025 52.1352 19.1501 177.1106 53 S 4.5234 8.6848 117.8225 59.0647 64.2674 173.0743 54 H 5.2630 8.7816 118.5663 54.7565 32.3845 172.5426 55 V 4.6965 9.0892 118.4452 60.2778 34.9435 174.2966 56 H 5.3320 8.6514 120.2517 53.0004 29.6410 173.9214 57 P 4.3002 0.0000 0.0000 65.3871 31.3530 176.7786 58 H 5.1126 7.9814 114.2054 54.8037 29.7971 172.8605 59 G 4.3153 8.0047 104.1682 45.0822 0.0000 172.0266 60 Q 4.9433 9.1282 122.9709 54.2176 31.5480 173.8237 61 D 5.3395 9.0694 126.1023 53.0466 43.8062 174.5703 62 T 4.9821 8.9661 123.9226 61.8432 70.7213 173.6537 63 W 5.6364 9.5428 127.3527 55.4306 31.8590 175.3026 64 T 4.9548 9.2611 121.3340 61.7568 70.8867 173.4006 65 V 4.2771 8.7751 127.9284 62.6924 32.1253 176.6080 66 I 3.9819 8.9524 130.1221 63.8105 37.9508 176.5803 67 S 4.5059 7.8738 115.0486 58.0958 66.3886 175.0066 68 G 4.4493 9.2446 112.8001 45.7049 0.0000 171.4060 69 E 5.2614 8.4066 115.3591 54.8183 34.0670 174.9065 70 A 4.4472 8.5316 122.6048 50.4773 23.6702 175.1131 71 E 4.6834 8.5518 119.1119 55.7506 31.0721 175.1553 72 Y 4.7402 9.3399 128.3458 56.5867 40.2777 173.8029 73 H 4.7916 8.7979 128.3950 55.6792 31.0225 175.4680 74 Q 4.1555 8.5105 123.5294 54.5230 29.3233 176.5866 75 G 3.6757 6.7798 104.6954 46.9761 0.0000 173.7916 76 N 3.9704 9.5417 117.0620 53.8903 36.5079 175.7143 77 G 3.8909 8.6590 104.4946 45.4394 0.0000 173.6774 78 I 4.1556 7.7331 121.8640 60.5670 38.2923 175.1747 79 V 5.0306 8.3975 126.5547 61.2778 34.3419 174.3463 80 T 4.7910 9.0170 116.9052 60.1623 72.6675 171.7710 81 H 5.3040 8.7292 121.5850 54.6108 31.5091 173.4670 82 L 4.9710 8.9739 126.1192 52.8795 44.3422 175.6367 83 K 5.2404 9.4435 121.3191 54.3651 36.8321 175.3592 84 A 4.1901 8.2224 122.9661 54.3896 18.4489 178.3947 85 G 3.9705 9.1135 110.8078 45.2351 0.0000 173.1153 86 D 4.8717 8.0277 119.6423 53.2291 43.1287 175.3226 87 I 4.9937 8.2101 120.7214 59.5313 39.7873 174.8493 88 A 4.4083 8.8684 128.0509 49.8982 21.6250 174.9920 89 I 4.7485 8.0924 122.0195 59.2580 40.4030 174.6781 90 A 4.6877 8.6301 129.2657 50.0114 20.9737 176.6133 91 K 4.5204 9.2286 122.8854 54.9944 33.9941 175.1451 92 P 4.6966 0.0000 0.0000 63.8958 31.4877 177.2722 93 G 3.8756 8.7770 110.3607 45.5449 0.0000 172.7563 94 Q 4.5100 7.6682 119.0791 53.7700 29.7778 175.9664 95 V 4.0435 8.2568 125.0035 63.3194 33.0462 174.3114 96 H 5.1018 8.3594 121.9591 54.6149 32.2736 172.5796 97 G 4.1875 8.0748 105.8556 47.3600 0.0000 170.5848 98 A 5.3031 8.4558 120.3419 51.7251 23.8760 175.4859 *100 N 4.6268 8.8335 114.3365 54.1719 39.8739 176.5189 101 S 4.2713 8.3772 119.8699 58.4710 63.8163 175.1684 102 G 4.0022 8.4251 107.7792 44.5700 0.0000 171.5850 103 P 4.4544 0.0000 0.0000 64.3925 31.9153 176.6545 104 E 4.3590 7.9619 117.9627 54.5909 30.0369 174.2215 105 P 4.4642 0.0000 0.0000 63.7496 32.4950 174.7797 106 F 5.4781 9.1690 125.0393 57.0445 41.0889 174.3660 107 I 4.9562 8.6126 127.3785 59.3865 40.6102 174.7803 108 F 5.2170 8.2541 120.4989 55.3642 42.1572 173.2335 109 V 4.4983 8.7639 120.1703 61.3958 33.3577 174.1788 110 S 5.4415 9.0270 123.7525 56.9047 64.5175 172.7265 111 V 4.7084 9.1953 127.7168 61.3465 33.6304 174.0510 112 V 4.8407 8.6996 128.9473 61.5519 33.3447 174.5340 113 A 4.9777 9.0028 129.0598 49.5348 22.6649 173.9528 114 P 4.8135 0.0000 0.0000 61.9681 32.5696 177.9384 115 G 3.9114 9.1841 110.1703 47.7766 0.0000 174.4108 116 N 4.7417 8.0216 114.7955 52.1765 37.6273 174.6241 117 A 4.0450 7.8638 122.9076 52.8189 18.4487 178.6169 118 G 4.2583 8.6652 110.9018 45.9070 0.0000 171.8217 119 F 5.3810 8.1687 113.5346 55.1979 41.5260 173.6858 120 A 4.6720 9.1916 120.5619 49.7777 22.3312 175.6981 121 L 4.7235 8.7874 121.5352 55.1958 42.4519 176.5607 122 A 4.5484 8.5735 122.0894 51.6044 22.2352 176.1908 123 E 4.4912 8.8591 119.7856 56.5695 31.1276 176.6081 124 K 4.0845 7.7294 122.4002 57.1900 32.2853 175.5171 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 V 8.05 4.06 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 0.94 0.00 0.00 0.93 0.00 0.00 4 N 7.56 4.46 0.00 2.74 2.79 0.00 0.00 6.86 6.78 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 *6 R 8.43 4.02 0.00 1.78 1.88 0.00 3.33 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 7 A 8.26 4.13 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 8 E 8.73 4.00 0.00 1.96 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 2.35 2.35 0.00 9 T 8.15 4.01 4.25 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 1.22 0.00 0.00 10 E 8.00 4.37 0.00 1.96 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 2.25 2.25 0.00 11 S 7.50 4.37 0.00 3.98 3.70 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 12 R 8.00 4.65 0.00 1.71 1.92 0.00 3.28 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 13 I 7.12 4.51 1.74 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 1.39 0.54 0.88 0.00 0.00 14 F 8.61 4.75 0.00 2.77 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 15 S 8.81 4.52 0.00 3.96 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 16 V 8.85 3.63 2.09 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 1.14 0.00 0.00 0.90 0.00 0.00 17 D 8.26 4.38 0.00 2.91 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 18 E 8.29 3.88 0.00 2.22 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 2.31 2.36 0.00 19 Y 7.80 4.25 0.00 2.97 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 20 V 7.19 3.63 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 0.70 0.00 0.00 0.98 0.00 0.00 21 R 7.98 4.47 0.00 1.67 1.72 0.00 3.35 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.44 0.00 22 P 0.00 4.14 0.00 1.98 1.71 0.00 3.55 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 23 S 8.12 4.67 0.00 3.77 3.70 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 24 N 8.93 4.71 0.00 2.78 2.86 0.00 0.00 6.78 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 25 G 7.44 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 26 E 8.88 4.00 0.00 2.03 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 2.37 2.35 0.00 27 P 0.00 4.43 0.00 2.31 2.43 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 28 I 8.14 4.09 1.92 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 1.29 0.51 0.79 0.00 0.00 29 R 8.12 2.51 0.00 1.56 1.67 0.00 3.33 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.10 0.00 30 S 7.17 4.30 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 3.86 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 0.72 0.00 0.00 0.81 0.00 0.00 32 V 8.54 3.30 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 0.26 0.00 0.00 33 L 7.09 4.33 0.00 1.18 1.11 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.78 5.11 0.00 1.94 1.76 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 2.17 2.25 0.00 35 T 8.82 4.77 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 36 N 8.69 4.40 0.00 2.78 2.92 0.00 0.00 6.81 8.08 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 37 D 7.97 4.45 0.00 2.67 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 38 S 7.81 4.88 0.00 3.75 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.62 4.67 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 0.93 0.00 0.00 1.01 0.00 0.00 40 V 8.65 4.82 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 0.65 0.00 0.00 0.83 0.00 0.00 41 V 8.68 4.53 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 -0.15 0.00 0.00 0.79 0.00 0.00 42 V 8.12 4.32 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 0.75 0.00 0.00 0.75 0.00 0.00 43 W 8.02 4.68 0.00 1.78 2.32 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 44 H 8.76 5.29 0.00 3.03 3.04 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.95 5.02 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 46 H 9.70 4.77 0.00 3.25 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.42 0.00 2.07 2.06 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 48 G 9.46 4.03 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 0.00 49 Q 7.96 4.42 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.56 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 50 E 8.61 5.01 0.00 1.82 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 2.30 2.31 0.00 51 I 8.70 4.12 2.08 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.27 0.61 0.00 0.00 52 A 8.53 4.42 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 53 S 8.68 4.52 0.00 4.01 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 54 H 8.78 5.26 0.00 3.44 3.34 0.00 5.20 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 9.09 4.70 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 0.95 0.00 0.00 0.94 0.00 0.00 56 H 8.65 5.33 0.00 3.40 3.38 0.00 6.10 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.30 0.00 1.89 1.99 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 58 H 7.98 5.11 0.00 3.10 3.26 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.00 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 0.00 0.00 0.00 60 Q 9.13 4.94 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 61 D 9.07 5.34 0.00 2.91 2.45 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 62 T 8.97 4.98 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 1.26 0.00 0.00 63 W 9.54 5.64 0.00 3.07 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 64 T 9.26 4.95 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 1.26 0.00 0.00 65 V 8.78 4.28 2.32 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 1.29 0.00 0.00 1.14 0.00 0.00 66 I 8.95 3.98 1.96 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 1.11 0.92 0.92 0.00 0.00 67 S 7.87 4.51 0.00 3.88 3.65 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 68 G 9.24 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 0.00 0.00 0.00 0.00 69 E 8.41 5.26 0.00 1.91 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 2.32 2.34 0.00 70 A 8.53 4.45 0.01 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 0.00 0.00 71 E 8.55 4.68 0.00 1.90 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 2.35 2.27 0.00 72 Y 9.34 4.74 0.00 2.92 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 73 H 8.80 4.79 0.00 3.12 2.96 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.51 4.16 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.12 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 75 G 6.78 3.68 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 0.00 0.00 0.00 76 N 9.54 3.97 0.00 2.84 2.93 0.00 0.00 7.06 7.23 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 77 G 8.66 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 78 I 7.73 4.16 1.93 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 1.10 0.51 0.89 0.00 0.00 79 V 8.40 5.03 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 0.84 0.00 0.00 0.98 0.00 0.00 80 T 9.02 4.79 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 1.24 0.00 0.00 81 H 8.73 5.30 0.00 3.11 3.24 0.00 5.89 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.97 4.97 0.00 1.65 1.55 1.06 0.51 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 83 K 9.44 5.24 0.00 1.73 1.80 0.00 1.34 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.36 7.81 84 A 8.22 4.19 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 85 G 9.11 3.97 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 0.00 0.00 0.00 86 D 8.03 4.87 0.00 2.77 2.54 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 87 I 8.21 4.99 1.84 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 0.60 0.95 0.00 0.00 88 A 8.87 4.41 0.15 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 89 I 8.09 4.75 1.79 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 1.24 0.64 0.86 0.00 0.00 90 A 8.63 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 9.23 4.52 0.00 1.77 1.73 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.38 7.81 92 P 0.00 4.70 0.00 2.04 2.18 0.00 3.77 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 93 G 8.78 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 94 Q 7.67 4.51 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 95 V 8.26 4.04 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 0.87 0.00 0.00 0.88 0.00 0.00 96 H 8.36 5.10 0.00 2.49 2.90 0.00 5.63 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 97 G 8.07 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 0.00 0.00 0.00 0.00 98 A 8.46 5.30 1.52 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 *100 N 8.83 4.63 0.00 2.94 3.02 0.00 0.00 6.67 7.63 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 0.00 101 S 8.38 4.27 0.00 4.04 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 0.00 102 G 8.43 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 0.00 103 P 0.00 4.45 0.00 2.22 2.21 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 104 E 7.96 4.36 0.00 2.05 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 2.35 2.34 0.00 105 P 0.00 4.46 0.00 2.09 2.23 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 106 F 9.17 5.48 0.00 3.09 3.17 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 0.00 107 I 8.61 4.96 1.83 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 1.23 0.47 0.82 0.00 0.00 108 F 8.25 5.22 0.00 3.05 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 0.00 109 V 8.76 4.50 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 0.87 0.00 0.00 110 S 9.03 5.44 0.00 4.19 3.95 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 0.00 111 V 9.20 4.71 2.15 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 0.91 0.00 0.00 0.96 0.00 0.00 112 V 8.70 4.84 2.15 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 0.90 0.00 0.00 1.11 0.00 0.00 113 A 9.00 4.98 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 0.00 114 P 0.00 4.81 0.00 2.11 2.01 0.00 3.74 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 2.14 2.11 0.00 115 G 9.18 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 0.00 116 N 8.02 4.74 0.00 2.87 2.94 0.00 0.00 5.98 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 0.00 117 A 7.86 4.04 1.41 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 0.00 118 G 8.67 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 0.00 0.00 0.00 0.00 119 F 8.17 5.38 0.00 3.06 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 0.00 120 A 9.19 4.67 1.20 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 0.00 121 L 8.79 4.72 0.00 1.61 1.69 1.00 0.95 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 0.00 122 A 8.57 4.55 1.19 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 0.00 0.00 123 E 8.86 4.49 0.00 2.01 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 2.22 0.00 124 K 7.73 4.08 0.00 1.95 1.70 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.