NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 K 4.2519 8.3031 121.7891 56.8290 33.5789 175.5448 19 G 4.1209 7.7715 106.8000 44.3163 0.0000 170.1655 20 H 4.9798 8.2788 122.4893 54.4328 34.4026 171.0029 21 W 5.7200 8.6997 123.6541 55.2253 33.4909 174.5040 22 I 4.5165 9.4537 125.2201 59.0155 39.2158 173.0848 23 P 5.0525 0.0000 0.0000 62.1996 32.8024 175.8311 24 V 4.9038 9.0711 123.6273 61.1902 35.2188 174.4575 25 V 4.9448 8.8996 119.8393 59.6544 34.7620 174.6347 26 A 5.0042 8.7715 124.6357 50.2888 22.7618 175.0623 27 G 4.1505 9.0247 109.4732 44.8660 0.0000 174.3424 28 F 5.0529 9.0681 124.7480 56.3586 39.0695 173.5532 29 L 4.8805 8.3735 123.2358 54.3306 42.8065 175.7158 30 R 5.4776 8.9717 123.5605 54.3988 32.8870 175.9247 31 K 4.2229 9.4827 123.7152 56.6311 35.3353 175.1374 32 D 4.4149 9.7050 126.5665 55.4894 38.2278 174.8162 33 G 3.9680 8.6041 105.3171 45.3362 0.0000 173.8369 34 K 4.9598 7.9369 118.9292 54.5971 35.6382 174.8674 35 I 5.9122 8.9664 121.3902 58.3441 41.3921 173.8143 36 L 4.3255 8.4503 130.3497 53.9341 43.0147 176.0022 37 V 4.5963 8.5111 124.8085 59.9342 35.2362 174.3118 38 G 4.1445 9.1562 110.4174 44.3263 0.0000 171.5291 39 Q 3.8835 8.5128 125.9193 54.1395 29.8464 175.2175 40 R 3.9305 8.2503 126.4740 55.8630 30.7546 175.3301 41 P 4.1671 0.0000 0.0000 62.6027 31.9930 175.6188 42 E 3.8914 8.3995 122.3194 55.4385 30.2112 176.2793 *48 G 3.4620 8.4800 114.2035 45.2786 0.0000 172.3854 49 Q 4.3777 8.1726 124.1650 55.4006 30.4065 175.0696 50 W 5.0334 9.4490 122.3115 55.3498 30.8109 175.4779 51 E 4.5710 9.0801 122.9278 54.0411 32.7796 175.2507 52 F 4.8022 8.3888 118.9420 56.7448 40.0034 174.0765 53 P 4.5073 0.0000 0.0000 62.2613 32.4914 177.1439 54 G 3.5887 8.0234 108.6770 47.6000 0.0000 170.9592 55 G 3.9142 7.2399 107.4688 46.0474 0.0000 171.9459 56 K 4.6453 8.4444 119.1694 56.2578 33.1668 176.9464 57 I 4.1377 8.1775 124.7520 60.9335 38.0509 175.4837 58 E 4.5054 9.0267 126.6952 54.6746 31.4580 175.6019 59 N 4.3922 8.6772 121.7025 55.3674 39.3564 174.5952 60 G 4.0769 9.0702 113.3679 45.3601 0.0000 173.3148 61 E 4.6498 7.5412 118.8591 55.1273 30.9194 176.9139 62 T 4.1535 8.5915 113.2736 60.8609 71.0080 174.0129 63 P 4.1791 0.0000 0.0000 66.0528 31.4214 178.8708 64 E 3.5442 7.9239 116.6809 59.0482 29.2602 179.2036 65 E 3.8542 8.1313 118.4680 59.2854 29.5023 178.8498 66 A 4.1631 8.0499 121.0636 55.3824 18.2804 179.5505 67 L 3.7828 7.8394 118.2328 58.0974 42.2013 178.7441 68 A 3.9419 7.8788 120.7739 55.1876 18.2713 179.5403 69 R 3.7943 8.1068 117.0551 59.7744 30.2199 178.6182 70 E 3.9869 8.3880 118.5994 59.4233 29.4469 179.4379 71 L 3.9951 8.2471 119.4053 57.4936 41.5683 179.0737 72 N 4.6245 8.1502 118.3648 56.2548 38.7490 176.7544 73 E 3.9257 8.2938 118.7856 59.6453 29.4163 178.9712 74 E 4.1764 8.8494 118.6651 58.2183 29.6958 178.2943 75 L 4.6339 7.5311 118.2166 52.2855 43.3959 178.0496 76 G 3.7261 8.2750 106.7568 45.7573 0.0000 173.1170 77 I 4.6324 7.4089 112.5452 59.1356 41.0428 174.3890 78 E 4.8587 9.3328 122.8700 54.9122 30.9293 174.7814 79 A 5.0786 8.4729 126.4576 50.2507 21.0521 175.7969 80 E 4.2437 8.9629 123.8069 55.4722 30.2926 176.3186 81 V 3.7692 8.5417 128.3329 62.5977 31.8089 175.3780 82 G 4.3255 8.7030 119.9525 45.8791 0.0000 173.0679 83 E 4.3060 8.9259 124.6658 55.9759 31.0608 176.4307 84 L 3.6284 8.6363 129.2475 55.3134 42.0141 176.0277 85 K 4.4520 8.6362 126.3040 57.8653 33.9974 176.6313 86 L 4.5767 7.3459 118.3938 53.9452 45.4651 173.6469 87 A 5.3231 8.5812 125.3230 50.4797 22.0303 175.1261 88 C 5.0721 9.2667 118.6713 58.1829 32.8120 173.2548 89 T 5.2965 8.5843 111.5169 60.7058 70.9407 173.0189 90 H 4.9360 9.2410 122.1168 54.9702 34.0220 171.8087 91 S 4.8032 7.9674 118.8893 56.1995 64.5168 174.7561 92 Y 4.5927 8.0414 123.6202 57.1377 36.5825 174.3598 93 G 4.1470 7.1687 108.9783 46.2992 0.0000 173.2572 94 D 4.4945 7.8335 122.5990 53.5318 41.0030 176.9138 95 V 4.3015 7.4154 119.0332 60.9566 35.3397 174.1944 96 G 3.3598 8.5914 114.7408 44.8910 0.0000 172.3676 97 I 5.0928 8.6784 125.6507 59.2949 40.1336 174.3503 98 L 5.0636 8.9188 129.0066 53.5594 44.2999 174.8238 99 I 4.6274 8.7892 128.6690 59.8524 39.1766 174.8296 100 L 4.7555 8.6683 127.4767 52.9982 43.9986 175.3230 101 F 4.7765 8.8734 123.5435 55.9773 40.9376 174.3524 102 Y 5.0585 8.6136 122.1317 55.8564 40.9705 174.9499 103 E 4.7828 9.2687 125.2268 56.2755 31.4858 175.4415 104 I 4.9884 9.1893 127.2791 60.0629 39.6283 175.9160 105 L 4.6642 9.2050 126.9449 55.1432 43.5942 176.4953 106 Y 4.7521 8.0215 115.6489 55.8335 41.5275 174.7011 107 W 5.6510 8.1172 118.6220 55.6388 31.2841 173.5576 108 K 4.5290 9.4214 121.3543 56.2880 33.7281 177.3148 109 G 4.3269 9.2880 109.3842 45.4820 0.0000 172.0512 110 E 4.9084 8.2313 117.8530 53.5839 31.3078 174.7211 111 P 4.5318 0.0000 0.0000 62.7523 31.8856 176.0217 112 R 4.6731 8.6040 121.7502 54.2225 33.4719 175.9346 113 A 4.5807 8.4010 125.1335 51.5708 16.3496 177.5614 114 K 4.3514 7.9001 118.1159 56.5597 34.1023 177.8301 115 H 4.6563 8.1179 118.0556 57.5910 31.5746 173.6064 116 H 4.5967 7.6871 115.4178 54.4993 29.8427 176.0212 117 M 4.1092 7.9104 119.5060 57.7602 31.6541 176.2835 118 M 4.6200 7.3313 118.2450 54.6246 36.3276 173.1645 119 L 5.2905 8.6896 125.4567 53.1767 44.6756 175.4686 120 E 4.6585 9.1495 123.0191 54.4888 33.4965 173.8753 121 W 5.1553 8.8936 127.1184 56.0679 30.1360 175.6793 122 I 4.6851 8.8645 118.4181 58.8020 40.8938 174.9327 123 H 4.5617 8.6599 120.9745 55.5839 29.5055 174.7258 124 P 4.3675 0.0000 0.0000 66.0441 30.9633 178.4847 125 E 4.0665 8.4779 116.8023 59.7949 29.2390 179.1191 126 E 3.6886 8.4191 118.2242 59.1119 29.2486 179.1594 127 L 3.8800 7.8878 119.0635 57.8393 41.3928 179.5156 128 K 4.0956 7.8493 117.9892 58.5520 32.1764 176.9647 129 H 5.0757 8.1964 114.4554 55.3663 28.9408 173.3668 130 R 4.6302 7.4528 117.7323 55.2430 33.4335 176.3541 131 N 4.7039 9.0297 121.2860 53.8172 38.8368 173.5543 132 I 5.0690 7.9091 118.3900 56.9395 40.9336 173.7344 133 P 4.5612 0.0000 0.0000 62.3771 31.8349 177.6431 134 E 4.1688 9.0066 121.2160 59.4033 29.0789 179.5436 135 A 3.8572 7.8935 119.6840 54.6602 18.6213 178.7043 136 N 4.6245 8.5536 115.5975 55.9781 38.8115 177.5759 137 R 3.9044 7.9557 119.9475 59.2665 30.0573 178.4799 138 K 4.2083 8.0365 117.3331 58.6930 32.7127 177.4969 139 I 4.5203 7.2777 112.6519 60.1364 38.2129 176.9646 140 L 3.6297 7.8110 125.8030 58.8453 41.6593 178.5754 141 H 2.5800 7.9277 114.5457 58.2173 28.1410 177.6469 142 K 3.6944 7.2151 120.5838 58.7235 31.5739 179.2664 143 I 3.2762 7.2041 120.0904 64.4389 36.9790 178.0361 144 Y 4.1271 7.1869 117.3865 60.8731 37.5871 178.5128 145 K 3.9717 7.8118 120.2425 59.6033 32.1357 178.4522 146 A 4.0948 8.0043 118.9403 53.7633 18.3522 178.2780 147 L 4.4937 7.2028 115.5333 53.4758 42.3994 176.9486 148 G 3.9130 8.0634 107.2231 46.2114 0.0000 173.6815 149 L 4.7156 8.3458 118.8304 52.8819 43.7142 175.8190 150 E 4.8580 8.4381 119.8508 54.6601 31.3783 176.4841 151 W 4.3807 8.3328 117.9244 56.6230 28.3532 175.0422 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 18 K 8.30 4.25 0.00 1.71 1.74 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.41 7.81 19 G 7.77 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 0.00 0.00 0.00 20 H 8.28 4.98 0.00 3.20 3.00 0.00 5.82 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 W 8.70 5.72 0.00 3.11 3.01 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 22 I 9.45 4.52 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.91 0.97 0.00 0.00 23 P 0.00 5.05 0.00 2.08 1.95 0.00 3.58 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 24 V 9.07 4.90 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 0.97 0.00 0.00 1.02 0.00 0.00 25 V 8.90 4.94 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 0.74 0.00 0.00 0.95 0.00 0.00 26 A 8.77 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.02 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 0.00 0.00 0.00 28 F 9.07 5.05 0.00 2.98 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 29 L 8.37 4.88 0.00 1.48 1.60 -0.07 0.75 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 30 R 8.97 5.48 0.00 1.87 1.96 0.00 3.28 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 31 K 9.48 4.22 0.00 1.88 0.82 0.00 1.74 0.00 0.00 1.08 0.00 0.00 2.66 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.99 1.15 7.81 32 D 9.70 4.41 0.00 2.69 2.64 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 0.00 0.00 0.00 0.00 33 G 8.60 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 34 K 7.94 4.96 0.00 1.96 2.06 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.37 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.34 7.81 35 I 8.97 5.91 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.84 1.06 0.00 0.00 36 L 8.45 4.33 0.00 0.56 1.05 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.51 4.60 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 0.77 0.00 0.00 0.65 0.00 0.00 38 G 9.16 4.14 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 0.00 0.00 0.00 39 Q 8.51 3.88 0.00 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 1.65 1.16 0.00 40 R 8.25 3.93 0.00 1.54 1.75 0.00 3.16 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 41 P 0.00 4.17 0.00 1.93 1.88 0.00 3.53 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 42 E 8.40 3.89 0.00 1.83 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 2.24 2.31 0.00 *48 G 8.48 3.46 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 0.00 49 Q 8.17 4.38 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.85 0.00 0.00 0.00 0.00 0.00 2.61 2.36 0.00 50 W 9.45 5.03 0.00 3.16 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 51 E 9.08 4.57 0.00 1.98 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 2.27 2.23 0.00 52 F 8.39 4.80 0.00 3.12 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 53 P 0.00 4.51 0.00 2.05 1.96 0.00 3.96 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 54 G 8.02 3.59 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 0.00 55 G 7.24 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 56 K 8.44 4.65 0.00 1.65 1.75 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.47 7.81 57 I 8.18 4.14 1.87 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 1.21 0.47 0.89 0.00 0.00 58 E 9.03 4.51 0.00 2.01 1.84 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 0.00 2.27 2.33 0.00 59 N 8.68 4.39 0.00 2.66 2.74 0.00 0.00 7.31 7.98 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 60 G 9.07 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 0.00 0.00 0.00 61 E 7.54 4.65 0.00 2.08 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 2.27 2.29 0.00 62 T 8.59 4.15 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 1.19 0.00 0.00 63 P 0.00 4.18 0.00 2.25 2.25 0.00 3.60 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 2.17 2.20 0.00 64 E 7.92 3.54 0.00 1.92 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 0.00 2.25 1.88 0.00 65 E 8.13 3.85 0.00 2.15 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 2.29 2.28 0.00 66 A 8.05 4.16 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 67 L 7.84 3.78 0.00 1.62 1.44 0.90 1.01 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 68 A 7.88 3.94 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 69 R 8.11 3.79 0.00 1.91 2.08 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 70 E 8.39 3.99 0.00 1.96 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 2.43 2.52 0.00 71 L 8.25 4.00 0.00 1.63 1.64 0.87 0.59 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 72 N 8.15 4.62 0.00 2.93 3.00 0.00 0.00 6.90 7.08 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 73 E 8.29 3.93 0.00 2.02 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 2.32 2.50 0.00 74 E 8.85 4.18 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 2.16 2.43 0.00 75 L 7.53 4.63 0.00 1.72 1.59 0.74 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.28 3.73 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 0.00 77 I 7.41 4.63 2.12 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.08 0.94 0.00 0.00 78 E 9.33 4.86 0.00 1.99 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 2.26 2.28 0.00 79 A 8.47 5.08 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 80 E 8.96 4.24 0.00 2.08 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 2.37 2.38 0.00 81 V 8.54 3.77 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 0.41 0.00 0.00 0.86 0.00 0.00 82 G 8.70 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 0.00 0.00 0.00 0.00 83 E 8.93 4.31 0.00 2.15 1.92 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 2.41 2.36 0.00 84 L 8.64 3.63 0.00 1.40 1.46 0.16 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.64 4.45 0.00 1.82 1.91 0.00 1.92 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.67 1.70 7.81 86 L 7.35 4.58 0.00 1.71 1.49 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.58 5.32 1.14 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 0.00 0.00 88 C 9.27 5.07 0.00 3.04 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 89 T 8.58 5.30 4.58 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 1.33 0.00 0.00 90 H 9.24 4.94 0.00 3.15 2.97 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.97 4.80 0.00 3.56 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.04 4.59 0.00 3.00 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 93 G 7.17 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 0.00 0.00 0.00 94 D 7.83 4.49 0.00 2.74 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 95 V 7.42 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 0.95 0.00 0.00 0.85 0.00 0.00 96 G 8.59 3.36 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 0.00 0.00 0.00 0.00 97 I 8.68 5.09 1.85 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.16 1.03 0.00 0.00 98 L 8.92 5.06 0.00 1.86 1.54 0.70 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.79 4.63 1.48 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 1.15 0.47 -0.05 0.00 0.00 100 L 8.67 4.76 0.00 1.51 1.41 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.87 4.78 0.00 2.61 1.74 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 0.00 102 Y 8.61 5.06 0.00 2.85 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 0.00 103 E 9.27 4.78 0.00 2.22 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 2.48 2.48 0.00 104 I 9.19 4.99 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.98 1.20 0.00 0.00 105 L 9.21 4.66 0.00 1.87 1.61 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.02 4.75 0.00 2.93 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 0.00 107 W 8.12 5.65 0.00 3.41 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 0.00 108 K 9.42 4.53 0.00 1.87 1.83 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.47 7.81 109 G 9.29 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 0.00 0.00 0.00 0.00 110 E 8.23 4.91 0.00 2.07 2.03 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 2.34 2.34 0.00 111 P 0.00 4.53 0.00 2.04 1.87 0.00 3.94 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 112 R 8.60 4.67 0.00 1.87 1.80 0.00 3.17 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 113 A 8.40 4.58 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 0.00 114 K 7.90 4.35 0.00 1.73 1.94 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.48 7.81 115 H 8.12 4.66 0.00 2.96 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.69 4.60 0.00 3.21 3.27 0.00 5.87 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 M 7.91 4.11 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 118 M 7.33 4.62 0.00 2.22 1.90 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.82 0.00 119 L 8.69 5.29 0.00 1.54 1.43 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.15 4.66 0.00 1.89 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 2.03 2.23 0.00 121 W 8.89 5.16 0.00 3.20 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 0.00 122 I 8.86 4.69 1.78 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.19 0.67 0.00 0.00 123 H 8.66 4.56 0.00 3.25 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.37 0.00 2.35 2.27 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 125 E 8.48 4.07 0.00 2.01 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 2.38 2.34 0.00 126 E 8.42 3.69 0.00 2.10 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 0.00 2.33 2.37 0.00 127 L 7.89 3.88 0.00 1.83 1.69 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.85 4.10 0.00 1.93 2.00 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.25 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.69 1.76 7.81 129 H 8.20 5.08 0.00 3.20 3.34 0.00 5.50 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.45 4.63 0.00 1.54 1.74 0.00 2.96 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.30 0.00 131 N 9.03 4.70 0.00 2.95 2.88 0.00 0.00 6.69 7.82 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 0.00 132 I 7.91 5.07 1.83 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 1.37 1.52 0.96 0.00 0.00 133 P 0.00 4.56 0.00 2.27 2.12 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 134 E 9.01 4.17 0.00 2.03 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 2.44 2.37 0.00 135 A 7.89 3.86 1.12 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 0.00 0.00 136 N 8.55 4.62 0.00 3.03 3.02 0.00 0.00 6.51 7.45 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 0.00 137 R 7.96 3.90 0.00 1.89 1.94 0.00 3.37 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 138 K 8.04 4.21 0.00 1.99 1.95 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.47 7.81 139 I 7.28 4.52 1.80 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 1.48 1.04 0.94 0.00 0.00 140 L 7.81 3.63 0.00 1.78 1.59 0.55 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.93 2.58 0.00 2.26 3.11 0.00 5.51 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 0.00 142 K 7.22 3.69 0.00 1.73 1.69 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 0.95 7.81 143 I 7.20 3.28 1.46 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.46 0.24 0.00 0.00 144 Y 7.19 4.13 0.00 2.87 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 0.00 145 K 7.81 3.97 0.00 1.97 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.53 7.81 146 A 8.00 4.09 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 0.00 147 L 7.20 4.49 0.00 1.68 1.62 0.52 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.06 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 0.00 149 L 8.35 4.72 0.00 1.85 1.63 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.44 4.86 0.00 1.93 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 2.25 2.17 0.00 151 W 8.33 4.38 0.00 3.03 2.57 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 * Residues marked with a * may have inaccurate shift predictions.