NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4607 8.1133 119.6450 56.0762 32.2003 173.8929 3 I 4.7940 8.3246 124.5516 59.2009 40.9973 172.5171 4 Y 5.2019 9.9984 126.6434 56.2911 41.0206 174.2757 5 L 5.2213 9.3421 125.0651 53.1796 43.8658 175.7351 6 I 4.9837 9.6729 117.3714 57.6806 41.0705 175.2910 7 G 3.7408 7.8328 109.3951 43.0558 0.0000 175.4465 8 F 4.9435 7.5622 120.3389 57.3117 38.1592 176.2516 *10 C 4.8392 8.7259 121.7550 56.3605 40.8088 174.0592 11 S 4.2713 8.3441 113.5016 58.9289 62.3323 174.9269 12 G 4.2974 8.2461 106.7740 47.2817 0.0000 175.4950 13 K 3.8524 7.6412 121.6888 59.5627 31.8632 179.1004 14 S 4.4999 8.1554 114.5330 62.0938 62.8220 176.8786 15 T 3.7264 7.7418 117.5644 66.5054 68.3418 176.7979 16 V 3.5858 7.9699 120.4573 65.9175 31.4770 178.0645 17 G 3.3482 8.6522 106.5412 47.8110 0.0000 175.4654 18 S 3.5376 7.2195 115.8193 60.8577 62.3920 176.3020 19 L 3.9503 7.8359 121.7342 57.4366 41.3072 179.2652 20 L 3.9225 8.3229 121.0708 58.1725 42.1038 179.2456 21 S 4.1772 8.2290 114.4435 61.4085 62.5957 176.4494 22 R 3.9081 8.0643 122.3733 59.3052 29.5708 178.6965 23 S 4.2655 7.9295 114.3334 60.5736 62.9235 175.5073 24 L 4.4246 7.7216 118.7727 53.1517 42.9795 175.8992 25 N 4.2148 7.5998 114.8541 54.0585 36.4923 173.8320 26 I 4.8965 7.8277 109.1924 58.1547 41.5611 175.2210 27 P 4.4535 0.0000 0.0000 63.2072 32.4331 174.5387 28 F 5.4863 8.4226 122.8583 56.8868 42.1574 173.9746 29 Y 4.2306 7.5453 121.1818 56.1523 42.8202 173.2956 30 D 4.9685 8.2056 122.7096 52.5386 43.3552 176.2667 31 V 3.5925 8.8616 126.4344 66.7254 31.6079 177.8354 32 D 4.4955 8.2539 117.6221 57.3905 40.6964 178.6301 33 E 4.1962 8.5788 119.1151 59.5913 29.4316 179.2496 34 E 4.0286 8.3460 118.6068 59.2801 29.4051 179.3302 35 V 3.5484 7.9995 118.3579 66.1823 31.5877 177.7767 36 Q 4.0485 8.0122 116.9921 59.0560 28.4630 179.0101 37 K 3.8424 7.8622 118.7861 59.7933 32.2252 178.6549 38 R 4.0897 7.9745 116.6799 59.2705 30.5662 178.0948 39 E 4.3493 8.6759 117.1087 55.6742 29.2870 176.6278 40 G 4.0438 7.5575 104.0976 46.7191 0.0000 173.1059 41 L 4.8529 7.4626 119.0652 52.7741 44.5336 175.8396 42 S 4.7849 8.0497 111.2695 56.2927 66.4842 175.0649 43 I 3.2287 8.1211 126.2312 64.1065 37.1144 176.6225 44 P 3.5156 0.0000 0.0000 65.3261 30.4964 178.7239 45 Q 4.0655 7.8518 116.1984 58.5568 28.5205 178.2606 46 I 4.2236 7.6554 120.2264 63.6994 37.3203 176.7623 47 F 4.5801 8.1957 119.0951 61.2350 38.3068 177.0673 48 E 4.0792 8.2240 122.0152 60.1152 29.8220 178.3859 49 K 4.0890 7.6733 116.7215 56.9809 32.2878 177.0123 50 K 4.0610 8.1219 120.0073 55.6798 33.3810 177.0740 51 G 4.0535 8.0559 105.9784 45.2346 0.0000 174.1228 52 E 4.4910 8.7039 117.8273 58.2081 29.8746 177.9649 53 A 4.1589 8.0435 119.5208 54.7772 18.6570 178.6780 54 Y 4.1865 8.1073 118.1302 60.8968 39.0025 177.1401 55 F 4.0430 8.0161 120.2826 61.8117 39.4690 177.4094 56 R 4.0422 7.9739 117.8087 57.8707 29.7741 178.9621 57 K 3.9253 7.9779 120.4284 59.3544 32.1855 178.6024 58 L 3.8057 7.3099 120.0996 57.6421 41.8839 178.3201 59 E 3.6450 7.7764 118.9333 59.4722 29.4841 179.0522 60 F 4.3948 8.1494 120.3119 61.4471 39.3481 177.1070 61 E 3.5609 7.7771 117.7742 59.2275 29.2426 179.4225 62 V 3.4632 8.0220 118.7147 65.6433 31.4469 177.4505 63 L 3.9550 8.0412 120.3733 58.3553 41.6669 179.0136 64 K 3.8163 7.2782 116.4893 59.6206 32.2897 178.6129 65 D 4.4596 7.9634 118.7719 57.5498 40.7332 179.0378 66 L 3.8399 8.2412 119.6874 57.6800 41.3925 179.2045 67 S 4.4921 8.1119 112.5556 59.9440 62.7625 175.4185 68 E 4.1066 7.8605 122.5913 57.4862 29.8463 176.9224 69 K 4.2258 7.5401 118.5399 56.1810 32.8180 177.0396 70 E 4.0858 8.7843 122.4429 58.4101 29.8433 176.5813 71 N 5.0779 7.5216 115.8074 51.8746 40.9502 174.5570 72 V 4.4365 7.6677 121.1012 61.1821 34.5562 171.1437 73 V 4.7373 8.2261 122.2820 61.3633 34.0278 174.1918 74 I 4.9476 9.0704 129.6767 59.6210 39.7213 174.6834 75 S 5.2484 9.1111 123.2115 57.5901 63.8296 172.9427 76 T 4.9618 8.7535 116.6645 59.5186 71.9214 174.3262 77 G 3.9151 8.7165 112.2523 45.2072 0.0000 173.9432 78 G 3.9264 8.4484 105.6084 47.5833 0.0000 175.9287 79 G 3.8161 8.1552 107.9203 46.6112 0.0000 175.1570 80 L 4.0294 8.0134 122.3800 58.1428 42.0817 179.0824 81 G 3.8074 7.7721 102.2537 46.7936 0.0000 174.4293 82 A 4.0217 7.3253 121.0354 50.9990 19.3638 176.2773 83 N 4.4442 7.4438 117.6753 52.1112 39.5950 175.4002 84 E 3.8475 8.7677 126.1106 59.6514 29.5489 178.9763 85 E 3.8500 7.9407 118.4900 59.0071 29.5187 178.6190 86 A 3.7284 7.3868 119.4777 54.9034 18.6000 178.7981 87 L 3.9698 7.8266 117.9588 58.3983 42.5583 178.5942 88 N 4.5038 8.4305 116.7190 56.1305 38.4749 177.7131 89 F 4.1242 8.0041 118.5165 59.1267 39.1205 176.6749 *91 K 4.3573 8.0262 118.1669 55.8124 33.7798 177.3928 92 S 4.2495 7.7973 112.1609 60.0130 63.2288 175.0456 93 R 4.4038 6.8566 116.5358 55.9110 31.3753 175.9675 94 G 4.1604 7.3945 102.4447 46.7260 0.0000 171.9514 95 T 4.8248 8.1345 118.2924 62.2312 70.6868 174.1581 96 T 4.9595 9.2097 117.9243 60.6921 71.0396 173.8544 97 V 4.8432 9.3878 126.1784 61.0254 34.4577 173.8408 98 F 5.2893 9.6202 131.7266 57.3221 40.5056 174.9270 99 I 4.3458 8.4530 129.1124 60.3095 36.9442 174.4466 100 D 4.0350 8.5122 128.5275 52.7667 42.2182 174.8676 101 I 4.8901 8.3165 119.2309 58.2384 40.1878 173.9241 102 P 4.6094 0.0000 0.0000 62.4199 32.2432 176.8685 103 F 3.4843 9.1018 123.1011 61.5094 39.0847 177.3991 104 E 3.6542 8.1424 116.4545 59.5104 29.1457 179.1973 105 V 3.7295 7.6649 118.6442 65.4787 31.6019 177.5906 106 F 4.1517 8.2415 120.5371 61.3994 39.0239 177.1810 107 L 3.5719 7.6275 117.5139 57.4723 41.3252 179.1435 108 E 4.0064 7.5906 117.8028 59.3209 29.5863 179.0037 109 R 4.1439 8.0029 116.7260 56.9311 30.7851 176.4580 110 C 4.5459 8.2201 116.1183 56.3325 38.3624 177.0939 *121 R 4.0236 8.6110 134.6821 55.8043 29.4170 172.8103 122 P 4.2299 0.0000 0.0000 63.3080 32.2174 176.1722 123 L 3.9892 8.7777 123.5287 58.4864 41.9486 178.4778 124 D 4.3900 8.1632 117.1426 57.5517 41.1682 178.0998 125 E 4.0248 8.1610 118.4302 59.4757 29.6155 179.0407 126 I 3.8865 7.7666 119.4465 64.2972 37.1632 178.2567 127 K 3.5665 8.2977 120.2811 59.6440 32.0057 178.3880 128 N 4.2933 7.9690 116.1523 56.2734 38.4851 177.0493 129 L 3.9690 7.9616 121.4868 58.1623 42.2202 178.7720 130 F 4.0519 8.3361 120.4297 61.4410 39.0818 176.9474 131 E 3.8928 8.4196 117.2878 59.1675 29.2144 178.7613 132 E 3.9674 8.4700 119.6804 59.4806 29.7550 179.1591 133 R 3.4405 7.8232 118.0497 58.9965 30.0412 179.0233 134 R 3.8098 7.8714 118.4286 59.2825 29.6941 178.7358 135 K 3.9630 7.3371 117.3908 58.9669 32.1838 179.2169 136 I 3.7162 7.0403 119.7419 64.4883 37.2519 177.5994 137 Y 3.8928 7.2888 117.8295 61.0930 37.2680 178.7941 138 S 4.4978 7.6429 113.9658 60.3369 62.9890 175.6624 139 K 4.2813 7.7163 120.1309 55.6314 32.3069 176.8510 140 A 4.2468 7.3054 122.8580 52.1116 19.0043 177.6292 141 D 4.6383 9.1175 120.6573 56.8598 41.5374 177.3287 142 I 4.8050 8.2857 117.7011 59.2263 41.5266 174.7525 143 K 5.1060 8.6558 125.1816 54.9147 35.0013 175.6321 144 V 4.5828 8.6874 119.5134 59.1535 36.3184 174.9619 145 K 4.3926 8.7320 123.1866 56.6713 31.8856 177.1350 146 G 4.0851 9.3779 112.5375 45.9692 0.0000 174.6087 147 E 4.3735 8.3310 117.3560 56.8364 29.7316 176.0359 148 K 4.5972 7.1789 117.5666 53.9723 35.4693 174.4234 149 P 4.3827 0.0000 0.0000 61.9556 32.9397 175.5606 150 P 4.2065 0.0000 0.0000 66.1711 31.3131 178.6261 151 E 3.9223 8.2451 116.4663 59.8306 29.3789 179.3557 152 E 4.0312 8.0843 117.7852 59.1581 29.5728 179.3779 153 V 3.9398 7.5124 119.6141 65.1735 31.4673 178.2668 154 V 3.5643 8.0653 118.4202 65.9605 31.3120 178.1215 155 K 3.9336 8.0547 118.1968 59.5537 31.6815 179.1450 156 E 3.9562 8.0769 118.7619 59.4282 29.3066 179.5268 157 I 3.7465 7.9226 119.8324 64.2080 37.0368 178.3735 158 L 3.9704 8.1418 120.0405 58.0378 41.5092 179.7279 159 L 4.0362 8.1456 118.8757 57.9106 41.4189 179.8470 160 S 4.1611 8.3456 115.3055 61.4354 62.6283 176.6700 161 L 4.0051 8.0983 122.0443 57.5335 41.2164 179.1812 162 E 3.9905 8.0201 119.4131 59.2905 29.4376 178.9088 163 G 3.7027 7.9822 104.4910 47.9622 0.0000 174.7393 164 N 4.4551 8.2627 118.4285 56.4744 39.0960 176.5522 165 A 4.3096 7.9602 121.2132 53.8899 18.5252 177.5467 166 L 3.7762 7.8446 118.0925 55.8615 42.0705 177.6268 167 G 3.7529 9.0848 114.7828 45.3840 0.0000 173.1044 168 G 3.4438 8.1171 109.7810 45.1014 0.0000 172.5156 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 2 R 8.11 4.46 0.00 1.81 1.59 0.00 3.27 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 3 I 8.32 4.79 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 1.21 1.06 0.99 0.00 0.00 4 Y 10.00 5.20 0.00 2.96 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 5 L 9.34 5.22 0.00 1.66 1.66 0.99 0.63 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 6 I 9.67 4.98 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 1.35 1.37 0.96 0.00 0.00 7 G 7.83 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 0.00 0.00 0.00 8 F 7.56 4.94 0.00 3.54 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *10 C 8.73 4.84 0.00 3.14 3.23 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 11 S 8.34 4.27 0.00 4.21 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 12 G 8.25 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.64 3.85 0.00 1.76 2.01 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.53 1.58 7.81 14 S 8.16 4.50 0.00 3.92 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 15 T 7.74 3.73 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 1.16 0.00 0.00 16 V 7.97 3.59 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 0.88 0.00 0.00 0.98 0.00 0.00 17 G 8.65 3.35 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 0.00 18 S 7.22 3.54 0.00 3.51 3.72 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 19 L 7.84 3.95 0.00 1.65 1.64 0.87 0.30 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 L 8.32 3.92 0.00 1.72 1.81 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.23 4.18 0.00 4.48 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 0.00 22 R 8.06 3.91 0.00 2.00 2.11 0.00 3.12 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 23 S 7.93 4.27 0.00 4.06 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 24 L 7.72 4.42 0.00 1.62 1.69 0.92 0.96 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 25 N 7.60 4.21 0.00 2.85 2.83 0.00 0.00 6.66 7.33 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 26 I 7.83 4.90 1.89 0.00 0.00 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 1.30 0.69 0.97 0.00 0.00 27 P 0.00 4.45 0.00 2.16 2.23 0.00 3.67 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 2.30 2.05 0.00 28 F 8.42 5.49 0.00 2.95 2.88 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 29 Y 7.55 4.23 0.00 2.69 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 30 D 8.21 4.97 0.00 2.88 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.86 3.59 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 1.05 0.00 0.00 1.02 0.00 0.00 32 D 8.25 4.50 0.00 3.03 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 33 E 8.58 4.20 0.00 2.27 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 2.39 2.43 0.00 34 E 8.35 4.03 0.00 2.15 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 2.47 2.45 0.00 35 V 8.00 3.55 2.30 0.00 0.00 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 0.80 0.00 0.00 36 Q 8.01 4.05 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 37 K 7.86 3.84 0.00 1.89 2.09 0.00 1.85 0.00 0.00 1.94 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.53 7.81 38 R 7.97 4.09 0.00 1.95 1.98 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 39 E 8.68 4.35 0.00 2.16 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 2.41 2.41 0.00 40 G 7.56 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.46 4.85 0.00 1.72 1.65 0.99 0.57 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 42 S 8.05 4.78 0.00 3.80 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.12 3.23 1.48 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.06 0.00 0.00 44 P 0.00 3.52 0.00 2.01 1.97 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 1.96 1.84 0.00 45 Q 7.85 4.07 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 46 I 7.66 4.22 2.05 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 1.34 0.00 0.00 47 F 8.20 4.58 0.00 3.22 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 48 E 8.22 4.08 0.00 1.98 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 2.50 0.00 49 K 7.67 4.09 0.00 1.87 1.79 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.46 7.81 50 K 8.12 4.06 0.00 1.30 0.74 0.00 1.47 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.68 1.09 7.81 51 G 8.06 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 0.00 0.00 0.00 0.00 52 E 8.70 4.49 0.00 1.92 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 2.40 2.49 0.00 53 A 8.04 4.16 1.37 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 0.00 0.00 0.00 54 Y 8.11 4.19 0.00 3.17 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 55 F 8.02 4.04 0.00 3.32 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 56 R 7.97 4.04 0.00 2.03 1.92 0.00 3.29 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.72 0.00 57 K 7.98 3.93 0.00 1.96 1.71 0.00 1.54 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 58 L 7.31 3.81 0.00 1.29 1.39 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.78 3.65 0.00 1.99 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 1.96 1.47 0.00 60 F 8.15 4.39 0.00 2.97 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 61 E 7.78 3.56 0.00 2.08 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 2.12 2.32 0.00 62 V 8.02 3.46 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 0.94 0.00 0.00 0.85 0.00 0.00 63 L 8.04 3.96 0.00 1.94 1.90 1.13 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.28 3.82 0.00 1.57 1.53 0.00 0.91 0.00 0.00 1.05 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.44 7.81 65 D 7.96 4.46 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.40 1.04 0.00 0.00 75 S 9.11 5.25 0.00 4.41 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 0.00 76 T 8.75 4.96 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 77 G 8.72 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.45 3.93 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 0.00 0.00 0.00 79 G 8.16 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 0.00 0.00 0.00 80 L 8.01 4.03 0.00 1.78 1.71 0.89 1.10 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 81 G 7.77 3.81 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 0.00 0.00 0.00 82 A 7.33 4.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 7.44 4.44 0.00 2.67 2.62 0.00 0.00 7.10 7.09 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 84 E 8.77 3.85 0.00 1.95 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 2.31 2.26 0.00 85 E 7.94 3.85 0.00 1.93 1.68 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 2.30 2.39 0.00 86 A 7.39 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.83 3.97 0.00 1.53 1.78 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.43 4.50 0.00 3.01 2.87 0.00 0.00 6.69 8.35 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 89 F 8.00 4.12 0.00 3.29 3.33 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 *91 K 8.03 4.36 0.00 1.77 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.71 7.81 92 S 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0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 109 R 8.00 4.14 0.00 1.88 1.96 0.00 3.14 0.00 0.00 3.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 110 C 8.22 4.55 0.00 2.39 1.67 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 *121 R 8.61 4.02 0.00 1.81 1.95 0.00 3.31 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 122 P 0.00 4.23 0.00 2.33 2.23 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 123 L 8.78 3.99 0.00 1.80 1.77 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.16 4.39 0.00 2.86 2.69 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 0.00 125 E 8.16 4.02 0.00 2.20 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 2.43 2.37 0.00 126 I 7.77 3.89 2.23 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 1.55 1.13 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0.00 1.81 1.76 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.62 7.81 136 I 7.04 3.72 1.49 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.34 0.67 0.00 0.00 137 Y 7.29 3.89 0.00 1.44 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 0.00 138 S 7.64 4.50 0.00 4.04 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 0.00 139 K 7.72 4.28 0.00 1.78 1.80 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.54 7.81 140 A 7.31 4.25 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.12 4.64 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.29 4.80 1.92 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 1.14 0.90 0.94 0.00 0.00 143 K 8.66 5.11 0.00 1.84 1.67 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.18 1.29 7.81 144 V 8.69 4.58 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 0.70 0.00 0.00 0.89 0.00 0.00 145 K 8.73 4.39 0.00 1.78 1.90 0.00 1.73 0.00 0.00 1.95 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.42 7.81 146 G 9.38 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 0.00 0.00 0.00 0.00 147 E 8.33 4.37 0.00 2.10 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 2.28 2.30 0.00 148 K 7.18 4.60 0.00 1.89 1.83 0.00 1.94 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.36 7.81 149 P 0.00 4.38 0.00 2.17 2.01 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 2.11 2.18 0.00 150 P 0.00 4.21 0.00 2.12 2.08 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 2.10 2.18 0.00 151 E 8.25 3.92 0.00 1.99 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 2.38 2.40 0.00 152 E 8.08 4.03 0.00 2.11 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 2.39 2.35 0.00 153 V 7.51 3.94 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 1.24 0.00 0.00 1.06 0.00 0.00 154 V 8.07 3.56 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 1.04 0.00 0.00 0.95 0.00 0.00 155 K 8.05 3.93 0.00 2.01 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.63 7.81 156 E 8.08 3.96 0.00 2.19 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 2.32 2.65 0.00 157 I 7.92 3.75 2.01 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 1.53 0.73 0.92 0.00 0.00 158 L 8.14 3.97 0.00 1.84 1.72 0.91 0.89 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 0.00 159 L 8.15 4.04 0.00 1.68 1.72 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.35 4.16 0.00 4.05 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 0.00 161 L 8.10 4.01 0.00 1.87 1.72 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.02 3.99 0.00 1.99 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 0.00 2.31 2.33 0.00 163 G 7.98 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 0.00 0.00 0.00 164 N 8.26 4.46 0.00 2.87 2.99 0.00 0.00 7.21 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 0.00 165 A 7.96 4.31 1.37 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 0.00 0.00 0.00 166 L 7.84 3.78 0.00 1.86 1.66 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 167 G 9.08 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 8.12 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.