NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 I 4.1550 8.1245 118.5495 59.8761 37.1177 174.9549 7 K 4.1176 8.5513 116.6929 56.6128 32.2741 172.0295 8 Q 4.2497 8.0022 115.7853 57.7558 29.3870 176.5808 9 Q 4.3280 8.3449 118.7015 55.9581 29.3973 169.6575 *10 K 4.5667 8.5700 128.5924 54.2089 32.1767 175.5170 11 E 4.2406 7.9946 116.1057 56.3581 30.9465 178.5623 12 I 3.6269 8.8288 125.3997 61.3240 36.5745 177.0914 13 I 3.5373 8.8277 117.6752 60.9316 33.9009 176.5591 14 E 4.7657 7.9969 118.8199 56.6856 32.2913 177.0567 15 H 4.3895 8.5833 118.0530 58.9396 29.9053 177.2196 16 G 3.9201 8.4689 107.2702 47.5837 0.0000 175.7815 17 I 3.9718 7.8404 124.2285 65.0691 37.1010 178.7692 18 E 4.0911 8.2063 118.0415 61.0056 29.6885 180.6482 19 L 4.3069 7.9109 118.9487 57.6330 41.4272 179.2388 20 F 4.0468 8.5965 120.9475 61.1411 39.1752 176.5487 21 N 4.5906 8.3492 116.2417 55.1755 38.4243 176.8126 *22 K 4.7882 7.3745 126.7699 57.3228 33.9679 182.7257 *23 K 4.6366 8.5751 124.7025 51.1411 34.0845 176.4024 24 P 2.9700 0.0000 0.0000 64.5339 30.9272 178.5977 25 K 4.2269 8.0515 119.3161 59.9110 32.4797 179.1064 26 R 4.3757 7.9682 120.5585 60.6110 29.5017 181.9208 27 G 4.1104 8.5357 108.3219 48.5546 0.0000 175.7914 28 I 4.3960 7.7662 119.4261 62.1939 35.7582 178.1677 29 Q 4.7174 7.7949 120.7239 58.2357 30.6503 177.3559 30 F 4.2894 8.1780 121.3240 61.3282 38.9112 177.1725 31 L 3.7390 7.9522 118.1556 57.6112 41.2586 178.9174 32 Q 4.5831 7.8072 119.5991 57.6061 28.9561 178.4223 *33 E 4.1570 7.6450 119.4712 61.0857 30.0564 183.9825 34 Q 4.4403 7.4771 116.5320 55.4383 29.9969 175.3255 35 G 3.4587 7.1277 108.0395 45.4697 0.0000 171.2857 *37 L 3.8412 7.7954 124.6682 54.7005 43.2244 176.9866 38 G 4.2346 8.3042 113.8929 44.6189 0.0000 174.8964 39 T 4.6715 7.9810 122.3431 59.6355 66.5587 175.9068 40 S 3.7045 8.5658 113.9593 59.4387 63.8663 172.2893 41 V 4.4409 8.2675 109.2655 61.9005 33.9625 177.9463 *42 E 4.1365 7.8441 118.6260 60.2768 28.7463 183.8170 43 D 4.6289 7.5481 117.4403 58.1633 41.2035 178.8699 44 I 4.1051 7.8169 119.5718 64.3125 37.2845 178.1922 45 A 4.2138 8.5906 124.0097 55.0465 17.9530 179.1771 *46 Q 4.3373 7.5192 117.7304 57.3819 28.6324 180.5632 47 F 4.9626 7.5545 124.2153 60.7613 40.7903 177.5642 48 L 3.7215 7.8312 117.0936 57.6834 41.4926 178.4083 49 H 4.4996 7.9927 119.0039 59.0178 29.8785 177.3041 50 Q 4.3517 7.7072 121.5091 58.5886 29.4862 180.8746 51 E 4.3111 7.4961 126.2062 55.7518 27.6371 176.1615 52 E 4.2640 7.8539 123.2406 54.2890 28.5281 176.9427 53 R 4.5309 8.0992 119.7343 56.3588 32.9192 174.7431 54 L 4.5124 7.5420 116.6678 54.2206 42.8416 176.5112 55 D 4.4261 8.8192 121.7519 55.1230 42.5999 178.1867 56 S 4.2392 8.7089 121.0170 61.5072 63.2041 176.6984 57 T 3.8094 7.8464 119.2817 66.3416 68.2142 176.4594 58 Q 4.1700 8.1021 118.7894 57.8109 28.6691 177.8636 59 V 4.1859 7.7172 119.5457 64.8098 31.7429 177.9042 60 G 3.4775 7.9507 105.3686 46.3549 0.0000 174.7559 61 D 4.5343 7.7090 119.6614 56.8445 41.1793 177.6266 62 F 4.1268 7.7171 122.4115 60.6326 39.1603 176.4612 63 L 4.0443 7.9978 120.8725 57.1813 40.8672 177.6175 64 G 4.0366 7.4229 109.4603 45.2048 0.0000 172.7069 65 D 4.8491 7.4192 117.9360 51.9685 43.5166 176.3178 66 S 4.4517 8.4587 117.4150 58.8506 63.5529 174.2222 67 A 4.1650 7.7040 126.8124 52.7878 18.1260 179.8297 68 R 4.0898 8.5648 119.4201 58.1743 29.9751 177.3798 69 F 4.6783 8.1522 117.6065 60.3868 39.9662 176.5421 70 N 3.8717 7.6893 117.0058 55.1758 39.0460 176.5480 71 K 4.0774 7.8825 119.3892 59.0560 32.4569 178.8088 72 E 4.2593 7.7313 122.1067 59.5832 29.2474 180.6641 *73 V 4.1840 6.9626 120.8298 63.8734 32.1186 179.6260 *75 Y 4.8621 7.9616 120.1579 57.6234 38.9961 179.9185 76 A 4.2281 7.8431 120.5217 54.6445 18.4133 178.8366 77 Y 4.0637 8.0196 117.5839 60.7978 39.2272 177.4867 78 V 4.0354 7.9989 118.8413 65.6714 31.6697 176.9562 79 D 4.9438 8.0977 118.3379 54.5775 41.2200 176.9764 80 Q 4.3688 8.1378 117.2278 56.8369 31.3866 176.3314 81 L 4.3277 7.5896 117.2240 54.5923 45.7680 175.3729 *85 E 4.3624 9.0264 122.3353 56.4088 31.8034 174.0746 86 K 4.3993 7.9893 121.3926 54.0595 32.8099 178.9395 87 E 4.4342 8.7635 113.8500 57.2158 30.5537 178.5363 88 F 4.4899 8.8840 125.0851 61.1305 39.4510 178.2039 89 V 3.5704 8.1484 119.5026 66.2571 31.2096 177.8879 *90 S 4.4075 7.9066 115.3565 61.2260 62.2030 178.1752 91 A 4.9471 7.7505 123.1789 53.9831 20.4837 178.6893 92 L 3.3650 7.7128 120.8684 58.8368 42.3661 179.8704 93 R 3.8173 7.7911 120.5750 61.7492 29.0849 180.7526 94 T 4.3944 7.7828 115.0707 66.2390 68.5629 176.3328 95 F 4.6304 8.1987 122.2840 61.2418 39.6047 176.5058 96 L 3.2616 7.5746 115.4554 54.7695 41.4193 177.5017 97 E 4.0191 7.3415 117.4538 58.3125 30.2250 178.4172 98 G 3.7335 7.7712 107.8156 47.6347 0.0000 172.4983 99 F 4.9844 6.6942 112.5698 54.9812 42.0061 174.0509 100 R 4.2202 9.4963 120.8440 55.0653 30.9475 175.1224 101 L 4.2498 8.5861 129.3677 54.7614 42.3519 174.8400 102 P 4.4072 0.0000 0.0000 62.6831 31.8880 177.2125 103 G 3.6830 8.6159 110.3163 46.4644 0.0000 173.4279 104 E 4.1341 7.7220 121.0598 55.7374 30.3377 177.6804 105 A 4.0932 8.8333 126.6195 55.5737 19.0421 179.8176 106 Q 4.0223 8.2101 116.6434 59.1844 29.5893 179.5199 107 K 4.1688 8.3292 125.2035 60.3949 31.7467 183.8593 108 I 4.0017 7.4395 120.0159 65.1811 35.3413 179.1944 109 D 5.0245 7.7351 118.0913 57.3896 40.9076 178.0196 110 R 4.1675 7.7269 118.3623 59.0803 30.1024 177.3160 111 L 5.0594 7.7583 117.3455 55.1775 42.0029 178.3560 *113 E 4.3866 8.2029 123.4394 57.0134 30.9232 178.7183 114 K 4.1983 7.5973 122.4602 59.1231 31.7823 180.6410 115 F 4.1746 8.2268 119.1882 61.3793 39.2863 177.3025 116 A 4.0928 8.1868 119.8304 54.7518 18.1705 179.0835 117 A 4.1243 8.0785 120.9063 55.2192 18.6473 180.0951 118 R 4.2622 7.3774 118.1067 61.0149 29.5662 182.5635 119 Y 4.2041 7.5752 118.8044 60.2403 39.9558 176.5319 120 I 4.2237 7.1640 121.2220 60.4023 34.7706 174.1632 121 E 4.7781 7.5080 120.2669 56.7739 36.5891 174.7943 122 C 4.7177 7.4072 113.1910 57.0857 29.8521 173.8989 *128 L 3.6990 7.7648 118.2085 57.5833 41.3287 177.8327 129 F 3.7487 8.5768 120.0567 57.1775 37.5917 173.2656 130 A 4.7205 8.6796 118.9860 54.0945 24.1977 175.9388 131 S 4.5526 7.7861 108.3428 56.5456 67.3861 174.6031 132 A 4.1057 8.5968 123.8418 55.6400 18.0163 179.8268 *133 D 4.4807 8.0313 118.9723 58.1167 39.7644 183.3201 134 T 4.2582 7.6419 114.9502 67.1708 68.5632 176.8243 135 A 3.9241 7.9123 122.2661 54.7706 18.3582 178.6998 136 Y 4.2941 8.1057 118.4074 61.3304 38.8383 178.8038 137 V 3.8338 7.9286 118.4457 65.2148 31.5651 177.6015 138 L 4.1457 7.8553 120.2505 57.8603 42.0482 178.5425 139 A 4.2108 8.5414 121.0728 55.5076 18.1295 179.2714 140 Y 3.9999 7.6472 113.1206 60.9528 37.9791 178.3062 141 S 4.4503 7.9390 114.9228 61.4642 63.3940 176.3505 142 I 4.0668 7.8848 123.2301 63.6788 36.3286 176.9223 143 I 4.0735 7.5894 121.7039 61.0921 35.8829 177.3004 *145 L 4.3477 7.7301 122.7969 55.3438 43.9870 177.7831 146 T 4.0182 8.0656 110.9591 64.0189 67.3035 175.4978 147 T 4.2863 7.0636 113.3359 65.5197 69.3357 175.9670 148 D 4.6100 7.9641 118.9655 55.3137 42.5652 175.9982 149 L 4.4796 7.5375 119.8265 51.8730 41.1761 174.0044 *152 P 4.3924 0.0000 0.0000 61.8022 33.3728 178.2138 153 Q 4.5627 8.1180 114.8769 55.4467 28.9683 174.7203 154 V 4.3643 7.4208 117.6654 61.0909 33.6787 175.3517 155 K 4.0273 8.9732 131.0352 60.0353 32.3897 177.4759 156 N 4.7147 8.0311 116.4162 52.0222 37.9555 175.2910 157 K 4.3347 7.7375 118.6775 55.8115 34.6767 176.3620 *159 T 4.1557 7.5232 114.8101 63.6304 70.0880 176.4096 *160 K 4.0752 8.6677 128.9851 58.1224 32.0690 177.5642 *161 E 4.1387 8.2628 116.9002 59.4213 30.2153 181.0320 *162 Q 4.4488 7.4557 116.4693 54.9864 29.6841 178.2964 163 Y 3.8754 8.5788 113.5560 60.0360 38.9002 170.4398 164 I 4.1184 8.0042 121.3997 63.2154 38.5787 177.1399 165 K 4.2425 7.2500 120.3722 55.2777 31.2911 179.6776 *167 N 4.5966 8.1799 115.0497 53.3207 40.0157 174.6292 168 R 4.7896 7.2550 119.0224 57.3674 30.9883 176.4578 169 G 3.7145 8.9603 113.4422 46.4103 0.0000 172.5020 170 I 4.4381 7.3094 115.1557 60.6238 40.9498 175.2807 171 N 4.6918 8.3074 119.4637 52.0705 36.6968 172.4673 172 D 4.7660 7.7575 120.1233 54.0314 40.0228 174.9091 173 S 4.5050 7.9164 120.3005 58.7221 66.0494 175.2530 174 K 4.4182 7.8968 121.7023 52.8533 33.4227 180.2248 175 D 4.9022 8.2579 119.5933 55.2707 42.0317 176.3534 176 L 4.5622 7.9718 119.9585 52.1939 42.1461 172.7776 177 P 4.1677 0.0000 0.0000 62.7465 31.4068 176.9148 178 E 3.7371 9.0251 124.0106 58.9159 29.4992 177.9494 179 E 3.9597 8.1431 118.2862 58.7070 29.8399 177.4621 180 Y 4.1128 8.6035 121.9809 59.8806 38.9379 177.3711 181 L 4.2407 8.0272 119.2846 57.5263 41.8855 179.4764 182 S 4.2998 7.7648 115.4694 61.4388 62.4007 176.7271 183 S 4.1998 8.0196 116.6780 61.2690 62.1553 176.7195 184 I 3.6939 7.6736 123.7017 64.1588 36.3482 177.5214 185 Y 4.0252 8.0878 120.4143 60.9627 37.1348 178.2575 186 E 4.1802 8.1558 119.9518 58.1762 29.4235 179.1337 187 E 3.8518 7.7435 119.1919 59.1427 29.6718 178.4433 188 I 4.2744 7.6999 108.8937 61.5863 38.1387 176.2566 189 E 3.9559 7.6537 118.5703 57.6240 30.1236 178.8268 190 G 3.4416 7.3750 107.1888 47.1137 0.0000 174.2502 191 K 4.2767 7.6655 127.9471 53.8555 32.2443 175.0097 192 K 4.3470 8.7751 126.8053 55.8522 29.6797 179.7182 193 I 2.6161 5.7659 117.2360 60.2669 39.1721 175.2612 194 A 4.2502 7.3991 126.3875 52.4370 18.9567 176.4789 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 6 I 8.12 4.15 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 1.27 1.21 0.91 0.00 0.00 7 K 8.55 4.12 0.00 1.85 1.74 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.06 7.81 8 Q 8.00 4.25 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 9 Q 8.34 4.33 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 7.59 0.00 0.00 0.00 0.00 0.00 2.19 1.91 0.00 *10 K 8.57 4.57 0.00 1.76 1.70 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.30 0.99 7.81 11 E 7.99 4.24 0.00 1.98 1.77 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 0.00 2.23 1.90 0.00 12 I 8.83 3.63 2.01 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.84 1.15 0.00 0.00 13 I 8.83 3.54 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 1.30 0.52 0.91 0.00 0.00 14 E 8.00 4.77 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 2.27 0.00 15 H 8.58 4.39 0.00 3.40 3.57 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.47 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 17 I 7.84 3.97 2.13 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.34 0.95 0.00 0.00 18 E 8.21 4.09 0.00 2.07 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 2.26 2.22 0.00 19 L 7.91 4.31 0.00 1.88 1.69 0.33 0.71 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 20 F 8.60 4.05 0.00 3.43 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 21 N 8.35 4.59 0.00 3.05 2.90 0.00 0.00 6.77 7.00 0.00 0.00 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 K 7.37 4.79 0.00 1.85 1.68 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.28 7.81 *23 K 8.58 4.64 0.00 1.57 1.68 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.27 7.81 24 P 0.00 2.97 0.00 2.08 1.53 0.00 3.43 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 25 K 8.05 4.23 0.00 1.80 1.87 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 26 R 7.97 4.38 0.00 1.86 1.91 0.00 3.30 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.26 0.00 27 G 8.54 4.11 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 0.00 0.00 0.00 28 I 7.77 4.40 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 1.41 0.74 0.91 0.00 0.00 29 Q 7.79 4.72 0.00 2.31 2.29 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 2.29 2.34 0.00 30 F 8.18 4.29 0.00 3.19 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 31 L 7.95 3.74 0.00 1.55 1.48 0.60 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.81 4.58 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.08 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 *33 E 7.64 4.16 0.00 2.09 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 2.22 0.00 34 Q 7.48 4.44 0.00 1.61 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.85 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 35 G 7.13 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 *37 L 7.80 3.84 0.00 1.41 1.40 0.69 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.30 4.23 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 0.00 0.00 0.00 39 T 7.98 4.67 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 40 S 8.57 3.70 0.00 4.15 3.86 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 41 V 8.27 4.44 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 0.88 0.00 0.00 0.99 0.00 0.00 *42 E 7.84 4.14 0.00 1.82 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 2.24 2.22 0.00 43 D 7.55 4.63 0.00 3.05 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 44 I 7.82 4.11 2.03 0.00 0.00 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 1.68 1.05 1.09 0.00 0.00 45 A 8.59 4.21 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 Q 7.52 4.34 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 47 F 7.55 4.96 0.00 3.34 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 48 L 7.83 3.72 0.00 2.13 1.77 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.99 4.50 0.00 3.12 3.21 0.00 5.94 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.71 4.35 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.18 0.00 0.00 0.00 0.00 0.00 2.24 1.97 0.00 51 E 7.50 4.31 0.00 1.62 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 52 E 7.85 4.26 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.49 0.00 53 R 8.10 4.53 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0.00 0.98 0.00 0.00 1.17 0.00 0.00 138 L 7.86 4.15 0.00 2.06 1.93 1.04 1.10 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 0.00 139 A 8.54 4.21 1.53 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 0.00 0.00 140 Y 7.65 4.00 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 7.94 4.45 0.00 4.09 4.07 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 0.00 142 I 7.88 4.07 2.08 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.08 0.91 0.00 0.00 143 I 7.59 4.07 1.93 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.90 0.86 0.00 0.00 *145 L 7.73 4.35 0.00 1.94 1.83 0.75 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.07 4.02 4.17 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 1.19 0.00 0.00 147 T 7.06 4.29 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 1.21 0.00 0.00 148 D 7.96 4.61 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.54 4.48 0.00 1.66 1.46 0.71 0.81 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 *152 P 0.00 4.39 0.00 2.19 2.20 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 153 Q 8.12 4.56 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 154 V 7.42 4.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 155 K 8.97 4.03 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.50 7.81 156 N 8.03 4.71 0.00 2.78 2.58 0.00 0.00 6.37 7.44 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 0.00 157 K 7.74 4.33 0.00 1.74 1.56 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 0.99 7.81 *159 T 7.52 4.16 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 1.22 0.00 0.00 *160 K 8.67 4.08 0.00 1.77 1.73 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *161 E 8.26 4.14 0.00 1.89 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 2.31 1.87 0.00 *162 Q 7.46 4.45 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 5.76 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 163 Y 8.58 3.88 0.00 3.05 3.04 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 0.00 164 I 8.00 4.12 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.93 0.89 0.00 0.00 165 K 7.25 4.24 0.00 1.66 1.68 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.28 7.81 *167 N 8.18 4.60 0.00 2.59 2.78 0.00 0.00 7.08 7.66 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 0.00 168 R 7.25 4.79 0.00 1.77 1.93 0.00 3.05 0.00 0.00 3.87 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 169 G 8.96 3.71 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 0.00 0.00 0.00 170 I 7.31 4.44 1.99 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 1.46 1.05 0.92 0.00 0.00 171 N 8.31 4.69 0.00 2.87 2.70 0.00 0.00 6.87 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 D 7.76 4.77 0.00 2.82 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 S 7.92 4.51 0.00 3.79 3.84 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 0.00 0.00 0.00 174 K 7.90 4.42 0.00 1.69 1.69 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.26 7.81 175 D 8.26 4.90 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.97 4.56 0.00 1.66 1.44 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 177 P 0.00 4.17 0.00 2.18 2.07 0.00 3.40 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 178 E 9.03 3.74 0.00 2.03 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 2.39 2.39 0.00 179 E 8.14 3.96 0.00 2.15 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 2.40 2.47 0.00 180 Y 8.60 4.11 0.00 2.98 3.02 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 0.00 181 L 8.03 4.24 0.00 1.80 1.81 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 182 S 7.76 4.30 0.00 4.16 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 S 8.02 4.20 0.00 4.02 4.17 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 0.00 184 I 7.67 3.69 2.16 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.12 1.03 0.00 0.00 185 Y 8.09 4.03 0.00 3.20 3.16 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 0.00 0.00 0.00 0.00 186 E 8.16 4.18 0.00 2.09 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 2.41 2.46 0.00 187 E 7.74 3.85 0.00 2.16 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 2.27 2.43 0.00 188 I 7.70 4.27 1.77 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 0.90 1.76 0.86 0.00 0.00 189 E 7.65 3.96 0.00 1.88 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 2.12 2.05 0.00 190 G 7.37 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 0.00 191 K 7.67 4.28 0.00 1.78 1.64 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.36 7.81 192 K 8.78 4.35 0.00 1.73 1.70 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.38 7.81 193 I 5.77 2.62 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.34 0.78 0.00 0.00 194 A 7.40 4.25 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 * Residues marked with a * may have inaccurate shift predictions.