NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3239 8.1876 121.9610 56.1357 30.4145 173.6313 4 S 4.8921 8.0147 120.1082 56.8418 66.1792 171.6426 5 Y 5.0269 9.5917 119.1022 55.5114 42.9562 174.5979 6 P 4.9262 0.0000 0.0000 62.0656 32.6222 177.5736 7 V 3.6668 8.7217 121.5783 66.5066 30.8146 178.1151 8 E 3.9677 8.1837 118.1900 58.9819 29.2063 178.5452 9 R 3.9432 7.7940 118.4726 58.4225 30.2164 176.9611 10 S 4.6306 7.6819 109.9743 57.6384 64.2213 174.2291 11 R 4.3824 7.4205 121.8344 57.5950 30.3847 175.7712 12 T 4.8023 9.1663 121.8560 61.8310 72.4941 172.8487 13 I 5.0420 8.4611 125.4161 59.7334 40.2840 174.9616 14 Q 4.6574 9.1153 123.7026 54.5796 33.4160 174.2297 15 T 5.0719 8.4063 117.8536 61.9868 72.1672 173.5044 16 R 4.5728 8.9270 125.0654 53.9478 34.0936 174.4896 17 L 4.4291 8.4719 125.8181 54.8432 43.2460 176.1924 18 V 4.1408 8.8582 127.3744 62.6836 32.4399 174.7135 19 L 5.0903 9.1299 128.0987 52.5132 45.1083 176.2764 20 P 4.3270 0.0000 0.0000 65.2587 31.4746 177.0089 21 P 4.3595 0.0000 0.0000 65.7072 31.4282 177.0921 22 D 4.6031 8.9906 119.0767 55.8710 41.0515 175.6979 23 T 4.5512 7.8345 109.3243 59.2531 71.4895 172.9878 24 N 4.4421 8.0147 120.2822 51.1525 38.7827 175.7880 25 H 4.1884 8.7757 113.7590 57.7063 28.3703 175.8218 26 L 4.2513 7.9042 119.4033 54.3160 41.9814 177.1529 27 G 3.8044 9.6804 107.4437 46.0001 0.0000 173.1235 28 T 4.6539 7.4271 116.0686 61.7989 70.2691 174.1858 29 I 3.9987 8.3100 126.8609 60.8603 38.9401 175.7040 30 F 4.1801 8.6250 128.2028 57.3996 39.5372 176.5058 31 G 3.4174 9.1181 110.2922 48.1279 0.0000 176.0922 32 G 3.6328 8.0299 107.0244 47.0868 0.0000 175.8656 33 K 3.7254 7.9041 121.0622 59.0647 31.9548 179.5024 34 V 3.6114 7.5449 118.0957 66.0247 31.5514 177.8769 35 L 4.0165 8.1704 118.5165 57.7568 41.3925 179.4225 36 A 3.9889 7.9101 120.7281 55.4312 18.3366 179.3700 37 Y 4.3674 7.9463 115.3604 61.1485 37.8165 178.6786 38 I 3.7250 8.1544 121.1283 64.4526 37.1660 177.9903 39 D 4.2849 8.2613 118.8714 57.1322 40.9940 177.6397 40 E 3.9348 8.3991 120.0052 59.5811 29.6368 178.8237 41 I 3.6953 7.9754 118.2319 63.8944 37.9579 177.6841 42 A 3.9806 8.3768 121.8820 54.8457 17.9363 179.5262 43 A 3.9273 8.1498 118.8369 55.3655 18.6129 179.3965 44 L 4.0987 7.8519 116.2127 58.3213 41.9807 179.7514 45 T 4.2461 8.1195 115.2574 66.4753 68.3469 177.8703 46 A 4.0043 8.2324 121.5367 52.4229 18.1313 179.4435 *48 K 4.1334 8.0037 122.0387 58.4045 34.2304 177.2788 49 H 4.2022 8.4196 117.2405 58.8180 29.8114 175.9349 50 A 4.3172 8.2818 119.9938 51.8048 19.7762 176.3405 51 N 4.1789 8.1095 112.2448 53.4506 36.0339 173.6488 52 S 4.5529 7.5313 108.4423 56.4574 66.0141 173.1297 53 A 4.2438 8.5615 126.8665 52.9744 19.1580 176.8241 54 V 5.0451 8.2430 111.7822 59.8016 35.9331 175.2402 55 V 4.5762 8.5322 114.7450 59.9119 35.4857 175.6708 56 T 4.3122 8.4520 119.5275 62.7868 68.4279 174.8739 57 A 4.1695 8.9265 131.3449 54.8519 19.1061 177.0580 58 S 4.6765 7.3235 107.3170 57.7361 66.0561 174.1418 59 I 4.8415 8.1569 120.2713 59.2228 40.6660 174.7242 60 D 4.8770 9.0388 129.3349 53.2084 42.0123 176.2113 61 S 4.1029 8.6313 114.1466 58.8786 63.1420 174.0793 62 V 4.0287 8.0672 121.5055 61.1289 33.1462 174.2564 63 D 4.5770 8.3329 127.3888 52.5583 41.9205 176.2038 64 F 4.6743 8.5258 123.9387 56.4208 38.6353 175.8264 65 K 4.2386 9.1555 127.2906 58.3431 32.0401 177.2836 66 S 4.5792 7.7138 111.8117 57.2934 65.5757 173.2332 67 S 4.4928 8.3141 115.6526 56.8720 64.9435 172.8245 68 A 4.9551 8.0268 120.6340 50.5041 22.4947 175.1628 69 T 5.1520 8.7691 116.4881 61.0689 72.3060 174.3108 70 V 3.9228 8.1004 123.3170 62.3536 32.0030 177.1511 71 G 4.4804 8.3722 111.3880 44.2000 0.0000 172.7732 72 D 4.8361 9.1603 126.0608 55.0336 43.0087 175.0932 73 A 4.8961 9.0386 122.3132 50.8361 20.9996 175.9442 74 L 4.9817 9.2073 124.7480 53.5577 44.2700 174.8495 75 E 5.1705 9.3007 126.2414 54.5897 32.2065 175.0178 76 L 5.3344 9.0427 124.1029 52.8762 45.8943 175.1749 77 E 5.0920 9.1992 122.7300 54.5023 33.2455 174.5478 78 G 4.5724 9.2361 112.8926 44.7443 0.0000 171.2002 79 F 5.3923 8.3439 115.7841 55.3089 41.7826 173.3662 80 V 4.3839 8.1004 121.3876 63.4015 31.2478 175.7884 81 T 4.7295 8.7782 118.1505 63.2454 70.3605 174.0358 82 H 4.7640 7.7913 118.3106 55.7032 32.5567 173.0642 83 T 4.7790 7.7552 111.8335 60.2591 72.3624 173.6843 84 G 4.4778 8.3901 112.9490 44.5816 0.0000 173.2135 85 R 4.0222 8.8068 118.7219 59.2958 30.4559 179.0936 86 T 4.8817 8.1741 103.7985 59.9668 70.1161 172.9523 87 S 5.0079 7.5059 117.7893 56.6069 65.7967 171.3597 *89 E 4.5284 8.4325 119.1883 56.6782 30.9832 175.7058 90 V 4.8559 8.8370 126.3749 61.2774 34.8099 173.2445 91 Y 4.6223 8.6757 129.5140 56.0767 40.5228 174.1853 92 V 4.5242 7.7273 126.1632 60.7673 35.0177 173.8964 93 R 4.6787 8.4756 127.4992 54.3216 32.9604 174.0715 94 V 4.9416 8.7228 126.2330 61.4596 34.3887 173.9297 95 H 5.5332 9.4784 124.5003 53.9981 32.7417 172.6205 96 S 5.2513 8.8965 115.5754 56.7662 65.9388 172.6319 97 N 5.2023 9.2209 120.9671 51.8850 41.9346 172.7946 98 N 5.0635 9.3739 127.1337 52.8290 39.0315 175.7333 99 L 4.0856 8.5939 127.3726 57.2166 42.3726 178.9953 100 L 4.1436 8.1617 118.3630 57.5373 41.6965 178.0226 101 T 4.1552 8.6675 106.9452 61.3686 69.4271 176.0418 102 G 3.8883 8.3343 110.0006 45.1533 0.0000 173.1138 103 E 4.1012 8.0527 122.5770 56.1781 30.5613 175.3916 104 R 5.2769 8.6526 127.2448 54.7215 32.8909 174.5035 105 T 4.7850 8.9881 115.7272 59.4910 72.5758 172.8781 106 L 3.9927 8.6420 126.6399 56.1163 42.4492 176.1608 107 T 4.2949 8.9951 123.6777 64.7885 69.9118 174.5305 108 T 4.6791 7.3270 113.2038 61.4001 70.9613 171.0416 109 E 5.0247 8.3024 121.2597 54.9166 32.7927 174.3713 110 S 4.4834 8.1610 115.3833 57.8895 67.2205 172.8536 111 F 5.3062 8.6809 117.4433 55.7045 42.2910 174.6477 112 L 5.2926 9.1728 121.8290 53.3999 45.7637 175.6466 113 T 4.7942 8.5230 117.2385 61.7450 72.4451 173.4850 *115 V 4.3037 8.0527 121.0463 62.7104 33.0245 174.2950 116 A 4.6587 8.7011 130.1766 52.1480 19.4122 176.5894 117 V 4.9748 8.6288 115.2064 59.4805 35.6810 176.0091 118 D 4.6786 9.1771 126.2800 53.0138 40.9973 177.5063 119 E 4.0141 8.6902 114.3727 58.8357 29.6604 173.8057 120 S 4.4691 8.4022 110.5787 58.3791 63.3241 175.0959 121 G 3.8872 8.4960 109.5761 45.5925 0.0000 173.5779 122 K 4.2487 7.8442 121.0335 54.4408 33.1202 174.3749 123 P 4.7706 0.0000 0.0000 63.1610 31.8391 175.4098 124 K 4.6806 8.7512 122.4951 53.7051 35.3391 173.7030 125 P 4.7017 0.0000 0.0000 63.2054 31.9276 175.9348 126 V 4.7319 8.2478 116.0463 58.5641 34.7161 174.0081 127 P 4.6020 0.0000 0.0000 62.9273 32.3235 175.9150 128 Q 4.6333 9.4184 120.6156 55.2853 30.2678 175.2300 129 V 5.0092 8.3858 119.7628 60.0997 34.0434 175.0140 130 E 4.5281 9.0917 125.3240 53.6807 31.0004 173.1117 131 P 4.4258 0.0000 0.0000 63.1464 31.9011 175.3771 132 Q 4.3318 9.8614 121.0765 57.6156 30.9467 177.0273 133 T 4.2446 7.8964 109.7322 61.8684 71.1284 175.3638 134 E 4.0268 8.5572 119.5443 60.7906 29.6416 176.1653 135 E 4.1825 8.0646 117.4667 59.5579 29.8172 178.8739 136 E 4.0617 8.1066 119.9108 59.0641 29.5085 179.5073 137 K 3.9540 8.2607 118.5382 59.5131 32.1712 179.4043 138 R 3.9137 8.1687 118.8835 59.4611 29.8017 178.5865 139 L 4.1429 7.9886 119.2986 57.3140 41.7524 178.6278 140 Y 4.3501 8.5307 122.1060 61.4579 38.6007 178.4235 141 E 4.1365 8.5164 118.4711 60.8769 29.8668 180.0942 142 T 4.4031 7.8638 107.6602 62.4006 69.2835 176.7921 143 A 3.7009 7.3380 124.9750 54.8078 18.3712 177.5577 144 P 3.9922 0.0000 0.0000 65.7380 31.4121 178.6420 145 A 3.9168 7.7355 118.8732 55.2358 18.4275 179.7255 146 R 3.7694 7.5513 116.7181 59.1742 30.0558 179.2345 147 K 3.9672 8.2118 122.1228 60.0238 32.0814 179.4165 148 E 4.0047 8.1597 118.7727 61.1311 29.5568 181.3798 149 N 4.5329 8.0418 116.7755 56.1205 38.3252 177.8234 150 R 3.9512 7.8508 121.3012 59.6734 30.2283 179.4550 151 K 4.1744 7.9812 124.8050 60.3268 31.7669 181.4041 152 K 4.3825 8.0992 126.5129 60.1658 31.7744 180.0548 153 R 4.4992 7.9662 125.3523 58.3425 29.6007 177.8273 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 Q 8.19 4.32 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.32 1.94 0.00 4 S 8.01 4.89 0.00 3.96 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 5 Y 9.59 5.03 0.00 2.99 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 6 P 0.00 4.93 0.00 2.11 2.11 0.00 4.10 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 2.17 1.97 0.00 7 V 8.72 3.67 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 1.01 0.00 0.00 1.14 0.00 0.00 8 E 8.18 3.97 0.00 2.08 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 2.36 2.42 0.00 9 R 7.79 3.94 0.00 1.90 2.06 0.00 3.11 0.00 0.00 2.83 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 10 S 7.68 4.63 0.00 4.31 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 11 R 7.42 4.38 0.00 1.90 2.06 0.00 3.47 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 12 T 9.17 4.80 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 1.22 0.00 0.00 13 I 8.46 5.04 1.88 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 1.37 0.90 0.91 0.00 0.00 14 Q 9.12 4.66 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 15 T 8.41 5.07 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 1.19 0.00 0.00 16 R 8.93 4.57 0.00 1.45 1.49 0.00 2.35 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.26 0.00 17 L 8.47 4.43 0.00 1.62 1.56 1.00 0.96 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 18 V 8.86 4.14 2.29 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 0.91 0.00 0.00 1.01 0.00 0.00 19 L 9.13 5.09 0.00 1.61 1.53 0.93 0.76 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 20 P 0.00 4.33 0.00 2.19 2.11 0.00 3.89 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 2.13 2.09 0.00 21 P 0.00 4.36 0.00 2.23 2.23 0.00 3.75 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 2.04 2.03 0.00 22 D 8.99 4.60 0.00 2.85 2.83 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 23 T 7.83 4.55 4.10 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 1.17 0.00 0.00 24 N 8.01 4.44 0.00 2.68 1.93 0.00 0.00 7.12 7.81 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 25 H 8.78 4.19 0.00 3.30 3.51 0.00 5.51 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.90 4.25 0.00 1.61 1.62 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.68 3.80 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 0.00 0.00 0.00 28 T 7.43 4.65 4.05 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 1.07 0.00 0.00 29 I 8.31 4.00 1.82 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.90 0.89 0.00 0.00 30 F 8.63 4.18 0.00 2.97 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 31 G 9.12 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 0.00 0.00 0.00 32 G 8.03 3.63 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 0.00 33 K 7.90 3.73 0.00 1.76 1.37 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.75 7.81 34 V 7.54 3.61 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 1.40 0.00 0.00 0.99 0.00 0.00 35 L 8.17 4.02 0.00 1.91 1.74 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.91 3.99 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 37 Y 7.95 4.37 0.00 3.16 2.91 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 38 I 8.15 3.73 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 1.38 0.82 0.86 0.00 0.00 39 D 8.26 4.28 0.00 2.81 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 40 E 8.40 3.93 0.00 2.23 2.17 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 2.34 2.37 0.00 41 I 7.98 3.70 2.12 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 1.19 1.00 0.00 0.00 42 A 8.38 3.98 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 43 A 8.15 3.93 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 44 L 7.85 4.10 0.00 1.81 1.77 0.93 0.88 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 45 T 8.12 4.25 4.46 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 1.33 0.00 0.00 46 A 8.23 4.00 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 *48 K 8.00 4.13 0.00 1.97 1.91 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.49 7.81 49 H 8.42 4.20 0.00 3.18 3.55 0.00 5.93 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 50 A 8.28 4.32 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 51 N 8.11 4.18 0.00 2.83 2.85 0.00 0.00 6.66 7.57 0.00 0.00 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 S 7.53 4.55 0.00 3.89 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 53 A 8.56 4.24 1.27 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 0.00 0.00 54 V 8.24 5.05 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 0.81 0.00 0.00 0.95 0.00 0.00 55 V 8.53 4.58 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 0.70 0.00 0.00 0.94 0.00 0.00 56 T 8.45 4.31 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 1.27 0.00 0.00 57 A 8.93 4.17 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 58 S 7.32 4.68 0.00 3.86 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 59 I 8.16 4.84 1.88 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 1.33 1.11 0.91 0.00 0.00 60 D 9.04 4.88 0.00 2.77 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 61 S 8.63 4.10 0.00 3.95 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 62 V 8.07 4.03 1.78 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 0.06 0.00 0.00 0.81 0.00 0.00 63 D 8.33 4.58 0.00 2.61 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 64 F 8.53 4.67 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 65 K 9.16 4.24 0.00 2.14 1.88 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.24 7.81 66 S 7.71 4.58 0.00 3.97 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 67 S 8.31 4.49 0.00 3.94 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 68 A 8.03 4.96 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 69 T 8.77 5.15 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 1.22 0.00 0.00 70 V 8.10 3.92 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 0.60 0.00 0.00 0.97 0.00 0.00 71 G 8.37 4.48 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 0.00 72 D 9.16 4.84 0.00 2.64 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 73 A 9.04 4.90 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 74 L 9.21 4.98 0.00 1.77 1.52 0.99 1.31 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 75 E 9.30 5.17 0.00 1.93 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 2.21 2.25 0.00 76 L 9.04 5.33 0.00 1.55 1.49 0.87 0.55 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 77 E 9.20 5.09 0.00 2.05 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 2.47 2.38 0.00 78 G 9.24 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 5.39 0.00 3.20 3.14 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 80 V 8.10 4.38 2.13 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 0.75 0.00 0.00 0.97 0.00 0.00 81 T 8.78 4.73 4.42 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 1.39 0.00 0.00 82 H 7.79 4.76 0.00 2.95 3.05 0.00 5.87 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.76 4.78 4.36 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 1.29 0.00 0.00 84 G 8.39 4.48 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 0.00 85 R 8.81 4.02 0.00 1.86 1.94 0.00 3.12 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 86 T 8.17 4.88 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 1.25 0.00 0.00 87 S 7.51 5.01 0.00 3.99 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 *89 E 8.43 4.53 0.00 2.12 1.96 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 2.51 2.41 0.00 90 V 8.84 4.86 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 0.98 0.00 0.00 0.97 0.00 0.00 91 Y 8.68 4.62 0.00 2.79 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 0.00 0.00 0.00 92 V 7.73 4.52 1.81 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 0.75 0.00 0.00 0.78 0.00 0.00 93 R 8.48 4.68 0.00 1.56 1.66 0.00 3.22 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 94 V 8.72 4.94 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 1.06 0.00 0.00 0.90 0.00 0.00 95 H 9.48 5.53 0.00 3.10 3.23 0.00 5.83 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 96 S 8.90 5.25 0.00 3.89 3.98 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 97 N 9.22 5.20 0.00 2.70 2.67 0.00 0.00 6.76 6.54 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 98 N 9.37 5.06 0.00 2.76 2.70 0.00 0.00 6.80 6.70 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 99 L 8.59 4.09 0.00 1.67 1.71 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.16 4.14 0.00 1.76 1.72 0.92 0.84 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 0.00 101 T 8.67 4.16 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 1.26 0.00 0.00 102 G 8.33 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 0.00 103 E 8.05 4.10 0.00 2.19 1.85 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 0.00 2.30 2.13 0.00 104 R 8.65 5.28 0.00 1.82 1.76 0.00 3.21 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 105 T 8.99 4.79 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 1.23 0.00 0.00 106 L 8.64 3.99 0.00 1.62 1.61 0.78 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 107 T 9.00 4.29 4.37 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 1.38 0.00 0.00 108 T 7.33 4.68 4.09 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 0.00 0.00 0.00 1.09 0.00 0.00 109 E 8.30 5.02 0.00 1.83 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 2.12 2.27 0.00 110 S 8.16 4.48 0.00 3.80 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 0.00 111 F 8.68 5.31 0.00 3.12 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 0.00 112 L 9.17 5.29 0.00 1.59 1.53 0.86 0.48 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 0.00 113 T 8.52 4.79 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 1.22 0.00 0.00 *115 V 8.05 4.30 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 1.07 0.00 0.00 0.94 0.00 0.00 116 A 8.70 4.66 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 0.00 117 V 8.63 4.97 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 0.80 0.00 0.00 1.00 0.00 0.00 118 D 9.18 4.68 0.00 2.86 2.85 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 0.00 0.00 0.00 0.00 119 E 8.69 4.01 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 2.23 1.87 0.00 120 S 8.40 4.47 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 0.00 121 G 8.50 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 0.00 122 K 7.84 4.25 0.00 1.81 2.03 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.46 7.81 123 P 0.00 4.77 0.00 2.08 2.00 0.00 3.68 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 2.04 2.10 0.00 124 K 8.75 4.68 0.00 1.80 1.61 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.39 7.81 125 P 0.00 4.70 0.00 1.99 1.99 0.00 3.68 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 2.04 2.14 0.00 126 V 8.25 4.73 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 0.85 0.00 0.00 1.00 0.00 0.00 127 P 0.00 4.60 0.00 2.09 1.99 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 128 Q 9.42 4.63 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.17 0.00 129 V 8.39 5.01 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 0.92 0.00 0.00 1.11 0.00 0.00 130 E 9.09 4.53 0.00 1.99 1.87 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 2.15 2.15 0.00 131 P 0.00 4.43 0.00 2.09 2.13 0.00 3.39 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.37 0.00 132 Q 9.86 4.33 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 133 T 7.90 4.24 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 1.14 0.00 0.00 134 E 8.56 4.03 0.00 2.00 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 2.31 1.93 0.00 135 E 8.06 4.18 0.00 2.21 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 0.00 2.35 2.49 0.00 136 E 8.11 4.06 0.00 2.27 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 2.16 2.20 0.00 137 K 8.26 3.95 0.00 1.83 1.87 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.59 7.81 138 R 8.17 3.91 0.00 2.07 2.12 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 139 L 7.99 4.14 0.00 1.93 1.84 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.53 4.35 0.00 3.17 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 0.00 141 E 8.52 4.14 0.00 2.10 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 2.26 2.19 0.00 142 T 7.86 4.40 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 1.19 0.00 0.00 143 A 7.34 3.70 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 0.00 144 P 0.00 3.99 0.00 2.06 2.03 0.00 3.58 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 145 A 7.74 3.92 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 0.00 146 R 7.55 3.77 0.00 1.66 1.73 0.00 2.27 0.00 0.00 2.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.00 147 K 8.21 3.97 0.00 1.73 1.87 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.41 7.81 148 E 8.16 4.00 0.00 2.03 1.94 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 2.24 2.22 0.00 149 N 8.04 4.53 0.00 2.82 2.86 0.00 0.00 7.01 7.42 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 0.00 150 R 7.85 3.95 0.00 1.95 1.97 0.00 3.13 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 151 K 7.98 4.17 0.00 1.87 1.73 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.33 7.81 152 K 8.10 4.38 0.00 1.84 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.33 7.81 153 R 7.97 4.50 0.00 1.90 1.72 0.00 3.27 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.