NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 N 4.6897 8.4244 118.1289 53.7035 38.8047 173.6308 22 M 4.2210 8.3067 118.5933 55.4353 32.6111 176.0522 23 L 4.2876 7.5602 118.6949 57.2380 42.8829 178.4314 24 R 3.9503 7.9588 116.3534 59.4474 29.3214 178.4430 25 D 4.3878 7.6296 119.7490 57.0008 40.8365 178.5860 26 L 4.0548 7.7901 120.3672 58.2593 42.2317 179.0763 27 R 4.1860 8.7449 118.4232 59.0427 29.7152 178.8492 28 D 4.3101 8.4660 118.4166 57.4194 40.7365 178.1263 29 A 4.0961 8.1107 121.2376 55.3241 18.2450 179.5012 30 F 4.1435 8.4730 119.3213 61.2105 39.5064 177.4364 31 S 3.9251 8.1182 114.1032 61.5083 62.3555 176.5508 32 R 4.0042 7.4994 119.2405 57.6974 29.9880 177.9349 33 V 4.3521 7.6147 110.8656 60.2970 33.2515 177.1375 34 K 3.4724 6.9294 119.8233 59.9568 31.6571 178.3060 35 T 3.8405 7.7717 113.5611 66.5444 68.4870 175.1213 36 F 4.0292 8.1254 120.9313 61.2843 39.3122 176.0638 37 F 4.6498 7.8109 116.0514 58.6318 39.2357 176.1315 38 Q 4.2456 7.9689 122.5991 56.3952 29.3377 175.2288 39 M 4.8931 8.2913 123.2816 53.1271 35.8131 177.8613 40 K 4.2532 8.2381 120.4999 56.2177 33.4767 174.1427 41 D 4.5598 8.4398 117.6486 55.2922 41.6347 177.4302 42 Q 4.6625 9.2137 121.6000 54.1899 31.5694 178.5905 43 L 4.3458 8.4627 122.5754 58.3643 40.8181 177.5515 44 D 4.3246 9.5104 113.6387 55.3536 38.8114 175.8194 45 N 4.3943 7.5501 118.6143 53.0199 38.5277 175.4859 46 L 4.3018 8.3654 126.4156 54.8480 42.9079 176.3708 47 L 4.1905 9.3628 128.8295 57.4350 42.3630 177.1190 48 L 4.3756 8.3062 120.7006 53.3935 40.2755 176.5444 49 K 4.4558 8.0068 123.7748 54.8743 33.7131 177.8986 50 E 3.8809 8.8642 118.5688 59.9749 28.8917 179.3416 51 S 4.6343 7.9854 115.7758 60.5354 62.7782 176.2377 52 L 3.7444 7.7072 123.7662 57.8034 41.8760 178.6851 53 L 3.1549 7.1656 119.6687 57.8480 41.8730 178.4987 54 E 3.9195 8.4262 118.8268 59.5624 29.4696 179.1435 55 D 4.4413 8.3445 119.2609 57.4122 40.9523 178.7556 56 F 4.4822 8.5726 118.7120 60.3868 38.7249 177.1226 57 K 4.4847 8.1724 115.7081 57.8899 32.6924 177.6106 58 G 4.1007 7.8814 106.8199 43.1798 0.0000 172.9491 59 Y 4.1144 8.6629 120.3358 60.7332 38.7819 178.2351 60 L 4.5528 7.9520 118.0203 54.7051 42.5868 178.9670 61 G 4.1279 8.2980 110.0942 47.5715 0.0000 175.0637 62 C 4.0962 8.2064 120.4560 59.5853 44.5479 175.6408 63 Q 3.9330 8.2094 120.1070 58.2875 28.3224 178.3482 64 A 4.0331 8.0877 121.8597 54.9877 18.3898 179.5139 65 L 3.2242 7.6395 119.1028 58.0506 42.0198 179.2854 66 S 4.0633 7.9926 114.3642 61.5776 62.7043 176.3498 67 E 4.1040 8.4332 122.2682 59.4357 29.1457 179.2287 68 M 4.1944 8.4512 118.9608 58.3524 31.9415 178.9201 69 I 4.0248 8.2400 120.2364 64.4257 37.3238 178.1039 70 Q 3.9896 8.2635 120.4078 59.2463 28.8614 178.1238 71 F 4.1333 8.5572 121.8598 61.5869 39.3452 176.7332 72 Y 3.3950 8.1461 116.1909 60.8958 37.4873 178.4734 73 L 4.0238 8.1319 118.7932 57.6781 41.8395 178.7641 74 E 4.3153 8.6056 116.7938 57.4300 30.2403 177.4004 75 E 4.3641 7.8652 117.5606 57.6957 30.8782 178.5364 76 V 3.2636 6.5983 117.4218 66.1935 31.7130 177.9181 77 M 3.9827 8.2632 118.7934 57.9260 31.5617 177.1416 78 P 4.2509 0.0000 0.0000 65.4088 31.8250 178.3383 79 Q 4.1646 7.6106 114.3479 58.6295 28.8035 178.2351 80 A 4.0677 8.2074 122.2014 55.2570 18.1610 179.5098 81 E 4.0207 8.2722 116.1812 58.9940 29.5023 177.7250 82 N 4.8182 7.6118 113.8440 53.2804 38.7792 176.0407 83 Q 4.2985 7.9627 119.1725 58.5301 29.3378 176.2564 84 D 4.4504 7.7104 114.4733 52.4530 43.8752 174.1514 85 P 4.1916 0.0000 0.0000 65.8626 31.2108 177.7895 86 D 4.1038 8.8333 117.7869 55.8234 41.1573 177.3159 87 I 3.8499 7.3097 117.9515 60.9010 38.1249 176.9439 88 K 3.7499 7.2129 120.4411 60.1777 31.9067 178.2770 89 A 3.9861 7.8233 120.1844 55.5509 18.3315 179.1776 90 H 4.2279 8.0062 114.2545 58.6821 28.7889 178.1422 91 V 3.5414 7.9617 120.3818 66.0031 31.4003 177.5885 92 N 4.3441 8.4945 117.2607 56.6504 38.7321 176.7242 93 S 4.0516 8.3491 114.8624 61.3088 62.4952 175.8794 94 L 4.0272 7.9770 123.2004 57.9585 41.6606 179.1608 95 G 3.6068 8.1318 105.7291 47.8395 0.0000 175.3752 96 E 3.9840 8.2837 121.4527 59.3013 29.4495 179.2324 97 N 4.3211 8.2100 116.3169 56.2676 38.4989 177.2635 98 L 4.0158 8.0991 121.7205 58.1290 42.2341 179.0950 99 K 3.9753 8.4197 118.7961 59.7182 31.9296 179.4613 100 T 3.8328 8.1561 116.0256 66.6068 68.3379 176.1686 101 L 3.9395 8.0861 122.3867 58.9033 41.7597 178.4543 102 R 3.8815 8.3347 118.2175 59.3437 29.8920 177.9568 103 L 4.0336 8.3561 118.1282 58.0705 41.6712 179.4993 104 R 3.8408 8.0458 117.5351 59.5894 29.9695 177.8633 105 L 4.2085 7.3950 116.4647 57.4670 42.2629 178.8964 106 R 4.0088 8.6675 118.0275 58.4512 31.1202 176.1423 107 R 4.6856 7.5622 117.0632 53.7121 31.2718 171.9635 108 C 4.3913 7.8424 125.2209 60.1798 38.4774 175.1274 109 H 4.6836 8.4581 121.3032 54.8634 31.3643 176.2271 110 R 4.4199 8.5012 118.5129 57.6908 29.1203 177.2184 111 F 4.6567 7.9493 117.5005 59.8703 39.6702 175.6684 112 L 4.8614 7.6081 120.9308 52.8828 42.2741 175.4914 113 P 4.3923 0.0000 0.0000 64.3842 31.9769 175.9995 114 C 4.8583 7.6388 113.0112 53.7663 43.5850 173.2099 115 E 4.0265 8.4743 117.6775 57.4092 30.6106 175.6959 *117 K 4.0594 7.5447 116.4993 56.2136 33.6004 174.2744 118 S 4.6525 8.1780 113.2237 57.2045 63.6908 174.8145 119 K 3.9413 8.5951 130.1941 59.4874 32.1851 178.4779 120 A 3.9627 7.9230 120.6532 55.1596 18.2788 179.6278 121 V 3.4386 7.6434 116.2466 66.1170 31.5564 178.0812 122 E 3.8387 7.9947 117.9459 59.4237 29.2739 179.1281 123 Q 3.9107 8.0819 119.6016 59.0533 28.9949 178.5577 124 V 3.5264 7.6234 119.2868 65.8531 31.5691 178.1784 125 K 3.6766 7.8939 118.3982 59.5210 31.8587 179.1390 126 N 4.4233 8.3532 116.6001 56.2048 38.5549 177.4199 127 A 4.0258 8.2226 122.3300 54.9156 18.2406 179.4304 128 F 4.1654 8.3890 118.6054 61.6107 39.8857 176.6759 129 N 4.3418 8.7992 116.4985 56.3784 38.1694 177.3714 130 K 3.9845 7.8890 119.5425 59.1867 32.0316 178.3221 131 L 4.0509 7.8036 118.1447 54.6569 42.0510 177.8915 132 Q 3.0801 8.1289 120.2221 56.8262 29.7048 176.3531 133 E 4.0703 8.7192 112.6872 58.9481 29.1330 178.2148 134 K 4.1569 7.9312 119.0436 59.2554 32.0673 179.1127 135 G 3.4830 7.8975 106.3874 47.5618 0.0000 175.8436 136 I 4.0171 7.5709 121.6971 64.6512 37.1372 178.1842 137 Y 4.1986 8.3185 117.1492 60.8802 37.6819 178.2376 138 K 4.0880 8.6510 120.6282 59.5116 32.1408 178.8128 139 A 4.1504 8.3229 120.3108 55.4798 18.5798 179.2559 140 M 4.2576 8.1867 117.5413 58.5056 31.7291 179.1084 141 S 4.7100 8.4182 113.1015 60.6912 63.5290 175.2318 142 E 4.6117 7.9244 121.4223 56.3855 29.3204 177.5470 143 F 3.7791 8.0437 124.3745 60.9354 39.2664 176.9198 144 D 3.9744 7.2243 118.6201 56.3027 39.1665 178.4788 145 I 3.4827 7.3502 120.7454 63.7101 36.9826 177.8616 146 F 4.0891 7.6698 121.4382 61.4938 39.1566 177.2892 147 I 3.1626 7.2784 119.3445 64.1847 36.7904 178.2063 148 N 4.3657 7.9365 117.3507 56.6114 38.2955 177.1124 149 Y 4.5264 8.1553 118.3447 61.0762 37.8827 178.5297 150 I 3.6618 7.9381 121.2137 64.2277 37.1332 178.0340 151 E 3.8926 8.7477 120.3006 59.2691 29.2613 178.6436 152 A 4.0425 8.3643 120.0568 55.2353 18.4610 178.6711 153 Y 4.1127 8.0181 117.2324 61.3609 39.2388 178.0946 154 M 3.5080 8.2410 119.4935 58.2522 31.7910 178.4249 155 T 4.0464 7.9553 112.2254 64.2379 68.5450 174.0642 156 M 4.6956 7.2452 120.8900 54.3856 32.9140 175.4676 157 K 3.9325 7.6756 121.7111 56.8070 33.0952 175.5500 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 21 N 8.42 4.69 0.00 2.75 2.84 0.00 0.00 6.83 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 22 M 8.31 4.22 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 23 L 7.56 4.29 0.00 1.74 1.68 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.96 3.95 0.00 2.05 2.21 0.00 2.98 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 25 D 7.63 4.39 0.00 3.08 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 26 L 7.79 4.05 0.00 1.80 1.90 1.10 1.00 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 27 R 8.74 4.19 0.00 2.11 2.05 0.00 3.20 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 28 D 8.47 4.31 0.00 2.80 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 29 A 8.11 4.10 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 30 F 8.47 4.14 0.00 3.19 3.32 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 31 S 8.12 3.93 0.00 4.08 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 0.00 32 R 7.50 4.00 0.00 1.87 1.77 0.00 2.74 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 33 V 7.61 4.35 2.40 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 1.10 0.00 0.00 0.92 0.00 0.00 34 K 6.93 3.47 0.00 1.28 1.58 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.54 7.81 35 T 7.77 3.84 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 36 F 8.13 4.03 0.00 2.79 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 37 F 7.81 4.65 0.00 3.22 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 38 Q 7.97 4.25 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 39 M 8.29 4.89 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.46 0.00 40 K 8.24 4.25 0.00 1.76 1.75 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.35 7.81 41 D 8.44 4.56 0.00 2.62 2.66 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 42 Q 9.21 4.66 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.06 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 43 L 8.46 4.35 0.00 1.71 1.68 0.92 1.16 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 44 D 9.51 4.32 0.00 2.77 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 45 N 7.55 4.39 0.00 2.82 2.82 0.00 0.00 6.78 7.73 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 46 L 8.37 4.30 0.00 1.61 1.61 1.00 1.11 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 47 L 9.36 4.19 0.00 1.68 2.04 1.02 1.26 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 48 L 8.31 4.38 0.00 1.49 1.54 0.90 0.93 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 49 K 8.01 4.46 0.00 1.83 1.75 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.44 7.81 50 E 8.86 3.88 0.00 2.14 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 2.36 0.00 51 S 7.99 4.63 0.00 4.03 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 52 L 7.71 3.74 0.00 1.72 1.79 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.17 3.15 0.00 0.27 1.18 0.62 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.43 3.92 0.00 2.13 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 2.52 0.00 55 D 8.34 4.44 0.00 2.99 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 56 F 8.57 4.48 0.00 3.13 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 57 K 8.17 4.48 0.00 1.88 1.86 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.59 7.81 58 G 7.88 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 0.00 0.00 0.00 0.00 59 Y 8.66 4.11 0.00 2.93 3.09 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 0.00 60 L 7.95 4.55 0.00 1.82 1.68 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.30 4.13 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 0.00 0.00 0.00 62 C 8.21 4.10 0.00 3.05 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 63 Q 8.21 3.93 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.25 0.00 64 A 8.09 4.03 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 0.00 0.00 0.00 0.00 0.00 65 L 7.64 3.22 0.00 0.36 1.06 0.46 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.99 4.06 0.00 4.06 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 0.00 67 E 8.43 4.10 0.00 2.26 2.04 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 2.33 2.48 0.00 68 M 8.45 4.19 0.00 2.19 2.63 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 3.10 0.00 69 I 8.24 4.02 2.08 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.08 1.02 0.00 0.00 70 Q 8.26 3.99 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 71 F 8.56 4.13 0.00 2.92 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 72 Y 8.15 3.39 0.00 3.36 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 73 L 8.13 4.02 0.00 1.85 1.76 0.98 1.20 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 74 E 8.61 4.32 0.00 1.93 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 2.29 2.46 0.00 75 E 7.87 4.36 0.00 1.36 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 2.54 0.00 76 V 6.60 3.26 1.69 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 0.95 0.00 0.00 -0.77 0.00 0.00 77 M 8.26 3.98 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 78 P 0.00 4.25 0.00 2.00 2.10 0.00 3.59 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 2.17 2.15 0.00 79 Q 7.61 4.16 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 80 A 8.21 4.07 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 81 E 8.27 4.02 0.00 2.10 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 2.66 0.00 82 N 7.61 4.82 0.00 2.75 2.86 0.00 0.00 7.05 8.36 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 83 Q 7.96 4.30 0.00 2.28 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.85 2.53 0.00 84 D 7.71 4.45 0.00 2.81 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 0.00 0.00 0.00 85 P 0.00 4.19 0.00 2.22 2.29 0.00 3.73 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 2.04 1.99 0.00 86 D 8.83 4.10 0.00 2.66 2.66 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 87 I 7.31 3.85 0.58 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 0.23 1.01 0.45 0.00 0.00 88 K 7.21 3.75 0.00 1.74 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 89 A 7.82 3.99 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 90 H 8.01 4.23 0.00 3.26 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.96 3.54 2.21 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 1.00 0.00 0.00 1.10 0.00 0.00 92 N 8.49 4.34 0.00 3.00 2.92 0.00 0.00 6.90 7.19 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 93 S 8.35 4.05 0.00 3.98 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 94 L 7.98 4.03 0.00 1.72 1.73 0.76 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.13 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.28 3.98 0.00 2.17 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 2.52 2.51 0.00 97 N 8.21 4.32 0.00 2.96 2.91 0.00 0.00 6.72 6.15 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 98 L 8.10 4.02 0.00 2.02 1.95 1.04 0.99 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 99 K 8.42 3.98 0.00 2.03 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.72 7.81 100 T 8.16 3.83 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 1.22 0.00 0.00 101 L 8.09 3.94 0.00 1.75 1.86 0.94 1.01 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 0.00 102 R 8.33 3.88 0.00 2.02 2.05 0.00 3.20 0.00 0.00 3.18 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 103 L 8.36 4.03 0.00 1.87 1.73 0.92 0.71 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 0.00 104 R 8.05 3.84 0.00 1.88 2.26 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 105 L 7.40 4.21 0.00 1.67 1.84 1.12 1.12 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 0.00 106 R 8.67 4.01 0.00 1.71 2.06 0.00 3.21 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 107 R 7.56 4.69 0.00 1.75 1.89 0.00 3.34 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 108 C 7.84 4.39 0.00 2.89 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 0.00 109 H 8.46 4.68 0.00 2.67 2.90 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.50 4.42 0.00 2.00 2.09 0.00 3.13 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.94 0.00 111 F 7.95 4.66 0.00 3.00 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 0.00 112 L 7.61 4.86 0.00 1.70 1.58 0.96 1.02 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 0.00 113 P 0.00 4.39 0.00 2.03 2.12 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 114 C 7.64 4.86 0.00 3.00 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 0.00 115 E 8.47 4.03 0.00 2.09 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 0.00 2.20 2.31 0.00 *117 K 7.54 4.06 0.00 1.80 1.88 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.39 7.81 118 S 8.18 4.65 0.00 3.91 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 0.00 119 K 8.60 3.94 0.00 1.86 1.78 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.50 7.81 120 A 7.92 3.96 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 0.00 121 V 7.64 3.44 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 0.95 0.00 0.00 0.99 0.00 0.00 122 E 7.99 3.84 0.00 2.20 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 2.55 2.44 0.00 123 Q 8.08 3.91 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 124 V 7.62 3.53 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 0.83 0.00 0.00 0.89 0.00 0.00 125 K 7.89 3.68 0.00 1.80 1.73 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.53 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.37 0.98 7.81 126 N 8.35 4.42 0.00 2.72 2.87 0.00 0.00 6.95 7.04 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 0.00 127 A 8.22 4.03 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 0.00 128 F 8.39 4.17 0.00 3.13 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.34 0.00 2.93 2.88 0.00 0.00 6.72 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.89 3.98 0.00 1.74 1.99 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 131 L 7.80 4.05 0.00 1.82 1.73 1.00 0.54 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 0.00 132 Q 8.13 3.08 0.00 2.21 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 133 E 8.72 4.07 0.00 2.08 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 0.00 2.47 2.38 0.00 134 K 7.93 4.16 0.00 1.83 1.98 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.46 7.81 135 G 7.90 3.48 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 0.00 136 I 7.57 4.02 2.20 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.98 0.90 0.00 0.00 137 Y 8.32 4.20 0.00 3.25 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 0.00 138 K 8.65 4.09 0.00 2.01 1.94 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.55 7.81 139 A 8.32 4.15 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 0.00 140 M 8.19 4.26 0.00 1.19 1.33 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 2.35 0.00 141 S 8.42 4.71 0.00 4.26 4.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 4.61 0.00 2.06 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 2.32 2.58 0.00 143 F 8.04 3.78 0.00 3.03 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 0.00 0.00 0.00 144 D 7.22 3.97 0.00 2.90 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 0.00 145 I 7.35 3.48 1.81 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 1.41 0.51 0.14 0.00 0.00 146 F 7.67 4.09 0.00 2.55 2.23 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 0.00 147 I 7.28 3.16 1.79 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.02 0.80 0.00 0.00 148 N 7.94 4.37 0.00 2.89 2.93 0.00 0.00 7.00 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 0.00 149 Y 8.16 4.53 0.00 3.23 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 0.00 150 I 7.94 3.66 1.74 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.03 0.75 0.00 0.00 151 E 8.75 3.89 0.00 2.02 2.18 0.00 0.00 0.00 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 2.33 0.00 152 A 8.36 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 0.00 153 Y 8.02 4.11 0.00 2.96 3.07 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 0.00 154 M 8.24 3.51 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.51 0.00 155 T 7.96 4.05 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 1.18 0.00 0.00 156 M 7.25 4.70 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 157 K 7.68 3.93 0.00 1.01 1.40 0.00 1.25 0.00 0.00 0.69 0.00 0.00 2.98 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.01 0.84 7.81 * Residues marked with a * may have inaccurate shift predictions.