NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2887 8.2229 123.5821 52.7565 20.8796 179.6880 *4 Y 3.9827 7.9276 117.2535 61.9132 36.6912 179.8810 5 K 4.2296 8.3135 126.6221 60.6852 32.1601 180.3853 *6 Y 4.2859 7.7091 123.2777 62.6492 36.9052 180.6536 7 L 4.3467 8.1006 125.4295 60.5640 40.4613 181.5084 8 E 4.2232 8.5586 121.0833 62.2812 29.4390 181.3950 9 E 4.5056 8.5520 119.1573 59.2660 30.1518 181.0217 10 L 4.6277 8.1850 125.9332 60.6786 41.4203 184.1809 11 Q 4.5250 7.9373 119.8512 58.6252 28.1214 179.5453 12 R 4.1959 7.5959 120.6339 59.3217 29.7393 182.4524 13 K 4.3786 7.7612 120.0775 53.8309 31.2282 182.1268 14 K 4.4373 8.3358 129.9496 54.4679 34.8717 178.0540 15 Q 3.0722 9.2198 119.0658 57.5642 27.1928 172.9135 16 S 3.5933 9.8618 114.8827 61.3485 58.4118 176.8481 17 D 4.1098 7.9893 123.7950 54.8218 40.9046 176.2298 18 V 3.7523 7.6519 123.8274 66.9105 32.6904 180.6611 19 L 4.3889 8.1760 125.4279 60.8034 40.5185 181.4582 20 R 4.4249 8.6296 124.1735 60.7003 29.2747 181.1193 *21 F 4.2818 8.3745 125.8129 61.7367 38.6167 179.6960 22 L 4.6425 8.1149 122.6846 60.1577 41.4870 184.7741 23 Q 4.2820 8.4548 124.2987 60.8274 27.7870 182.5160 24 R 4.2515 8.0147 122.3281 62.4441 29.5631 183.3907 25 V 3.8715 7.9609 121.1716 67.3622 31.6774 180.6277 26 R 4.1587 8.4768 122.4160 62.4455 29.2325 181.5854 27 V 3.8453 8.4027 121.2171 66.7458 31.5441 181.5003 *28 W 4.3753 8.3532 124.7961 59.5475 28.4806 179.9253 29 E 4.1484 10.4574 120.3906 61.6979 27.9645 185.0000 *30 Y 3.5571 9.2298 113.8333 58.7568 40.2947 180.6677 31 R 3.8935 8.2477 121.5757 59.7400 30.0899 180.8212 32 Q 4.3357 8.3481 125.1010 53.6156 26.9913 178.2566 33 K 4.5368 8.3618 131.2234 54.4576 34.4031 171.4860 34 N 4.2443 7.5063 128.4166 53.9743 39.8090 177.9880 35 V 2.5792 7.8636 115.7731 59.8334 33.6523 173.8822 36 I 4.6369 8.7412 113.5091 60.7639 37.3699 179.1061 *37 H 4.8707 8.9308 122.3567 52.1590 28.7098 172.7652 38 R 3.6048 8.6721 121.2462 56.8205 30.4069 177.1163 39 A 4.1397 8.0483 120.9059 51.8894 19.5353 175.1223 40 A 4.5348 7.6977 124.8568 52.3636 21.8127 178.6888 41 R 4.3031 8.0216 112.4277 55.5809 31.6618 172.8223 42 P 4.0294 0.0000 0.0000 62.9574 26.7966 177.1625 43 T 3.7286 8.0171 118.0558 62.4138 68.7827 173.4117 44 R 4.4595 7.6685 130.7910 54.6199 29.5525 177.9891 45 P 4.4933 0.0000 0.0000 62.9829 33.2459 176.8848 46 D 4.5405 8.2177 115.0289 57.4143 38.3476 185.0000 47 K 4.4004 9.3130 115.3756 58.1449 32.2140 179.3253 48 A 4.4126 8.1813 127.9712 56.6426 18.0688 181.4737 49 R 4.0395 7.6107 120.1865 62.6061 29.5706 181.5758 50 R 4.4702 7.8175 122.4099 60.5591 30.3867 178.8606 51 L 4.5376 7.4113 122.1171 53.5853 40.1084 179.1715 52 G 3.8473 8.9167 119.8734 49.6896 0.0000 171.8692 *53 Y 3.7313 8.1294 124.1216 54.3980 39.5616 183.3046 54 K 4.2484 8.7151 117.2887 58.3565 33.8511 175.5479 55 A 4.2692 7.0694 127.9331 50.5790 16.4704 177.1273 56 K 4.8727 7.4598 133.8028 54.5888 36.5054 176.7845 57 Q 4.4641 8.5566 124.2459 53.5510 28.8045 170.5243 58 G 4.4089 8.9090 118.2598 43.5906 0.0000 173.1913 *59 F 4.7289 7.4532 123.8892 56.1825 40.3603 176.3577 60 V 4.9579 7.3210 130.9300 61.3338 33.7178 171.4142 61 I 4.7835 7.3443 128.4555 57.5820 38.6507 172.5040 *62 Y 4.7882 8.4818 131.2300 56.7871 38.9405 172.8168 63 R 5.0285 8.5351 121.5503 56.4444 33.3073 176.9491 64 V 4.7617 8.5409 122.9092 60.2668 36.0545 174.7711 65 R 4.4211 8.5801 128.4190 55.6184 29.9102 176.0310 66 V 4.0379 8.4162 125.1494 59.6219 33.2756 172.4599 67 R 4.6626 8.2282 117.2729 56.5920 31.4805 174.0531 68 R 4.4108 8.1118 119.6165 54.4162 31.5768 173.9224 69 G 4.0621 8.5615 101.0109 46.7535 0.0000 172.6954 70 N 4.9983 8.6280 121.5035 52.9028 38.5789 171.9814 71 R 4.5839 8.2996 119.3333 56.6341 31.0607 175.2939 72 K 4.2198 8.5475 128.2625 53.4193 29.9344 172.4750 73 R 4.0817 8.1892 123.9494 55.2440 28.7088 175.2030 74 P 4.4582 0.0000 0.0000 61.5738 31.1182 173.3145 75 V 4.0976 8.7872 118.4089 63.8113 28.6076 166.4989 76 P 4.7607 0.0000 0.0000 61.7718 30.3410 176.7463 77 K 4.5984 7.5991 112.4665 55.0118 31.6285 181.6869 78 G 4.2882 8.1361 104.8807 45.2282 0.0000 173.3619 79 A 5.1142 8.2993 135.0000 53.5899 21.1974 176.6984 80 T 3.1402 8.2851 117.1730 62.2096 66.6843 174.3659 *81 Y 4.2641 8.3209 124.6003 56.2654 37.1671 172.8715 82 G 4.1772 8.2923 107.4615 46.5986 0.0000 172.1526 83 K 4.3649 8.2394 128.2891 51.4495 36.1053 170.9047 84 P 4.2634 0.0000 0.0000 63.3750 28.9549 177.6792 85 T 4.0284 7.8815 112.9661 63.5826 70.3549 177.5036 86 N 4.2509 9.4851 127.4280 52.6329 36.0627 173.6433 87 Q 4.0169 9.5578 115.3780 58.6550 29.1340 180.9965 88 G 3.9073 7.7357 107.2823 46.5568 0.0000 173.3428 89 V 4.5264 8.0992 118.5583 62.6309 37.7329 178.5986 90 N 4.5131 8.4117 119.5035 55.1120 37.5305 178.2091 91 E 4.7817 7.7327 112.7795 56.0176 31.3811 180.3270 92 L 4.2357 8.1034 122.0096 55.7938 41.5765 179.7825 93 K 4.7637 8.3395 123.1947 53.4159 34.4688 177.1403 *94 Y 4.2126 8.4714 124.6419 56.1943 36.8295 175.1558 95 Q 3.8798 9.0300 127.4725 57.2373 29.1977 175.1297 96 R 3.1881 7.0634 109.0768 58.8504 29.8410 180.6109 97 S 4.4594 10.1408 121.3730 64.6622 62.6474 182.8250 98 L 3.3635 6.8429 126.4656 57.0456 43.4161 180.6547 99 R 4.3119 7.6241 122.5650 61.1721 29.5218 180.1171 100 A 4.1349 9.0887 123.2795 56.7496 18.2334 180.5079 101 T 3.8085 7.6671 111.0896 65.8874 68.7419 177.9850 102 A 4.2482 8.1040 126.4278 55.7365 18.4122 180.0893 103 E 4.0111 8.6479 119.5147 62.0873 29.6642 181.4757 104 E 4.2322 8.2704 121.3783 61.5309 29.8589 181.2759 105 R 4.1910 8.3343 123.9056 62.2428 29.2454 181.7537 106 V 3.8993 7.6302 119.1584 66.3686 31.8608 179.9690 107 G 4.0748 8.3409 108.5583 48.4683 0.0000 175.9632 108 R 4.0212 8.3172 126.2095 61.6684 29.7165 181.6704 109 R 4.4422 8.2294 119.3259 58.0564 29.4078 178.1693 110 A 5.2316 7.2244 127.8665 53.4558 21.9614 176.3111 111 A 4.8055 7.8025 130.1290 53.0733 19.7885 179.0090 112 N 4.0340 8.5225 121.4759 56.5082 37.9404 177.2613 113 L 5.1081 7.1970 119.6838 54.1935 44.4424 181.4198 114 R 4.7678 8.6498 116.6111 57.5703 33.9427 171.2813 115 V 4.7261 8.3729 123.4291 59.8468 32.3544 176.4238 116 L 4.1027 8.2273 126.6487 56.4059 41.3010 173.6359 117 N 4.5108 7.2544 118.1924 53.2418 41.7373 176.1714 118 S 5.1487 8.8687 117.2097 59.0426 65.9605 172.8541 *119 Y 4.6625 9.0037 127.1402 55.1042 39.6373 176.3477 *120 W 4.3264 8.6648 125.0407 58.2435 28.6561 176.8208 121 V 5.1139 8.1614 124.2564 62.9582 32.4033 168.1682 122 N 4.4433 6.8793 119.8955 53.6697 39.9399 179.0527 123 Q 4.7604 8.1370 118.1753 55.6867 31.8576 175.5903 124 D 4.8466 8.6158 128.3849 52.5966 41.6610 173.3743 125 S 4.7881 8.7626 114.5244 60.8111 63.5594 170.9005 126 T 4.8440 8.5064 113.7895 60.3909 69.9624 179.6141 *127 Y 4.5201 7.4287 122.6032 59.9140 42.0450 175.1727 128 K 4.1995 7.9342 119.9801 57.3558 34.8081 172.6566 *129 Y 4.3883 9.1844 132.4197 56.5229 34.9677 172.6947 *130 F 4.6849 8.2063 127.8412 57.1134 40.7897 175.5873 131 E 4.8575 9.6839 121.2268 55.6114 32.9144 176.5782 132 V 4.6178 8.5623 126.6919 60.1816 34.5800 172.3817 133 I 4.2954 8.5571 123.0357 61.9511 38.0349 177.1861 134 L 5.0403 8.5123 122.5617 55.7772 44.5402 173.7682 135 V 3.6878 9.5870 122.4987 62.5769 32.0299 174.9700 136 D 4.8883 8.7912 130.5838 56.3482 39.3470 173.7824 137 P 4.2226 0.0000 0.0000 66.0592 32.5444 181.5817 138 Q 4.5743 7.8765 120.2383 54.5410 27.4277 177.4743 *139 H 4.5757 7.5244 125.0156 55.3608 33.1274 174.6794 140 K 4.7483 8.2611 122.6200 55.3038 30.2205 177.0033 141 A 4.0059 9.3615 123.3808 58.1432 18.2724 181.4628 142 I 3.5555 7.2413 115.0920 63.2603 35.9543 179.6882 143 R 4.5251 7.8371 119.0819 56.7172 30.8531 179.0366 144 R 4.0465 7.5246 117.9354 59.9369 29.9263 183.1975 145 D 4.7487 7.5871 120.4958 53.0550 39.7678 180.8955 146 A 4.5045 7.7457 127.4814 52.7652 16.7518 179.6963 147 R 4.2559 7.8869 118.9852 57.7210 30.1512 178.8406 *148 Y 4.7140 7.9050 115.8564 56.9083 39.7820 182.2979 149 N 4.3602 8.5364 123.4909 58.3078 37.5290 181.3860 *150 W 4.3642 8.4699 125.1098 63.8410 28.0159 184.0207 151 I 3.9624 7.9095 123.7238 66.0627 34.9301 180.4635 152 C 4.5938 8.1693 121.2448 63.0466 28.1042 177.9067 153 D 4.6617 7.4396 121.4946 52.6757 39.1550 176.3243 154 P 4.0874 0.0000 0.0000 68.5407 30.9974 176.5153 155 V 3.7954 7.9960 119.1602 64.9478 32.4341 178.9907 *156 H 4.3280 8.0555 122.6943 53.5336 26.6811 176.5445 157 K 4.2204 8.3099 126.9578 55.5590 35.2025 177.1504 *158 H 4.3214 8.6435 115.7155 57.0625 26.7997 178.6913 159 R 4.2038 8.3379 115.5650 58.7424 28.7573 185.0000 160 E 4.4169 8.3886 114.0198 55.0180 28.6514 182.0887 161 A 5.6405 9.1759 135.0000 54.8933 21.9188 179.4248 162 R 4.2227 7.5186 116.2094 57.3129 30.1111 179.8704 163 G 4.2221 8.6451 110.7156 48.1532 0.0000 176.1764 164 L 4.3207 7.8317 122.0758 55.2498 37.8264 177.0942 165 T 4.4940 6.5961 111.1335 59.5325 73.1881 175.6674 166 A 4.4307 7.4006 132.1816 52.9504 22.3183 179.6216 167 T 4.1873 7.4144 111.0918 65.3594 68.3674 179.2208 168 G 3.9011 8.0538 108.2188 48.7370 0.0000 176.0137 169 K 4.0635 8.3147 128.8062 60.0976 31.2052 181.3736 170 K 4.3146 7.8836 125.4964 60.0211 33.0017 182.4234 171 S 4.8363 8.7163 123.1304 58.9860 59.7658 175.2314 172 R 4.7048 6.7259 127.7228 56.1993 36.4851 177.0550 173 G 5.1253 6.2728 124.0268 46.1707 0.0000 172.5191 174 I 4.5623 7.4615 127.0085 60.1705 37.6388 177.1875 175 N 4.1340 8.2772 121.8060 52.3115 36.7738 179.7411 176 K 4.0056 8.8235 127.2707 56.8269 30.5597 179.6795 177 G 3.8750 8.3304 111.9451 45.7765 0.0000 172.9790 *178 H 3.9083 8.3498 113.5777 53.9234 24.4172 173.6582 179 K 4.3388 6.7144 129.3345 55.4461 35.4457 176.7792 *180 F 4.8705 8.5076 116.7443 57.3867 38.9193 177.0604 181 N 5.1977 7.7548 124.3826 51.7862 38.6204 177.4767 182 N 4.9455 7.9848 113.9123 53.0160 40.9885 176.7455 183 T 4.7051 7.9183 112.4119 61.3967 71.6670 181.5028 184 K 3.5112 8.7908 123.2436 53.4101 31.5563 177.7737 185 A 3.5738 10.1370 120.7313 53.3819 17.3302 178.8116 186 G 3.9952 9.7246 110.9059 45.3232 0.0000 175.0410 187 R 4.8174 6.9811 116.4639 52.2567 32.7511 180.4259 188 R 3.9378 9.2970 118.1493 57.5214 26.8366 179.4743 189 K 4.1490 7.8790 125.4733 55.9919 32.4949 177.0828 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 A 8.22 4.29 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 *4 Y 7.93 3.98 0.00 2.41 2.34 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 5 K 8.31 4.23 0.00 1.75 1.84 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.07 7.81 *6 Y 7.71 4.29 0.00 2.42 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 0.00 0.00 0.00 7 L 8.10 4.35 0.00 1.64 1.74 0.92 0.85 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 8 E 8.56 4.22 0.00 1.96 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 2.23 0.00 9 E 8.55 4.51 0.00 2.05 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 2.19 0.00 10 L 8.19 4.63 0.00 1.62 1.68 0.92 0.67 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 11 Q 7.94 4.52 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 7.09 0.00 0.00 0.00 0.00 0.00 2.28 1.99 0.00 12 R 7.60 4.20 0.00 1.71 1.87 0.00 3.21 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 13 K 7.76 4.38 0.00 1.77 1.65 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.22 7.81 14 K 8.34 4.44 0.00 1.77 1.67 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 15 Q 9.22 3.07 0.00 2.08 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.04 0.00 0.00 0.00 0.00 0.00 2.28 1.90 0.00 16 S 9.86 3.59 0.00 3.73 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 17 D 7.99 4.11 0.00 2.67 2.58 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 18 V 7.65 3.75 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 0.90 0.00 0.00 0.93 0.00 0.00 19 L 8.18 4.39 0.00 1.64 1.74 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.63 4.42 0.00 1.80 1.87 0.00 3.27 0.00 0.00 3.20 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 *21 F 8.37 4.28 0.00 2.38 2.27 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 22 L 8.11 4.64 0.00 1.65 1.67 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.45 4.28 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 24 R 8.01 4.25 0.00 1.81 1.95 0.00 3.25 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 25 V 7.96 3.87 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 0.93 0.00 0.00 0.93 0.00 0.00 26 R 8.48 4.16 0.00 1.81 1.93 0.00 3.27 0.00 0.00 3.20 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 27 V 8.40 3.85 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 0.71 0.00 0.00 0.93 0.00 0.00 *28 W 8.35 4.38 0.00 2.57 2.24 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 0.00 29 E 10.46 4.15 0.00 1.86 1.64 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 2.21 2.18 0.00 *30 Y 9.23 3.56 0.00 2.37 2.24 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 0.00 31 R 8.25 3.89 0.00 1.87 1.83 0.00 3.23 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 32 Q 8.35 4.34 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.52 0.00 0.00 0.00 0.00 0.00 2.29 2.17 0.00 33 K 8.36 4.54 0.00 1.72 1.61 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.10 0.82 7.81 34 N 7.51 4.24 0.00 2.90 2.74 0.00 0.00 6.94 7.67 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 35 V 7.86 2.58 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 0.66 0.00 0.00 0.93 0.00 0.00 36 I 8.74 4.64 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 1.13 0.91 0.00 0.00 *37 H 8.93 4.87 0.00 2.82 2.82 0.00 7.21 0.00 0.00 0.00 0.00 6.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.67 3.60 0.00 1.82 1.77 0.00 3.23 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 39 A 8.05 4.14 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 40 A 7.70 4.53 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 41 R 8.02 4.30 0.00 1.78 1.73 0.00 3.36 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.07 0.00 42 P 0.00 4.03 0.00 2.26 2.05 0.00 3.73 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 1.82 1.57 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.87 5.15 0.00 3.33 3.60 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 *119 Y 9.00 4.66 0.00 1.92 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 0.00 0.00 0.00 0.00 *120 W 8.66 4.33 0.00 2.51 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 0.00 0.00 0.00 121 V 8.16 5.11 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 0.79 0.00 0.00 0.93 0.00 0.00 122 N 6.88 4.44 0.00 2.72 2.75 0.00 0.00 6.81 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.14 4.76 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.85 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 124 D 8.62 4.85 0.00 2.69 2.50 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 0.00 125 S 8.76 4.79 0.00 3.60 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 0.00 126 T 8.51 4.84 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 *127 Y 7.43 4.52 0.00 2.43 2.14 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 0.00 128 K 7.93 4.20 0.00 1.47 1.59 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.14 0.88 7.81 *129 Y 9.18 4.39 0.00 2.04 2.14 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 *130 F 8.21 4.68 0.00 1.96 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 0.00 0.00 0.00 131 E 9.68 4.86 0.00 1.55 1.80 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 2.13 2.10 0.00 132 V 8.56 4.62 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 0.63 0.00 0.00 0.93 0.00 0.00 133 I 8.56 4.30 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 1.09 0.64 0.91 0.00 0.00 134 L 8.51 5.04 0.00 1.26 1.31 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 135 V 9.59 3.69 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 0.63 0.00 0.00 0.93 0.00 0.00 136 D 8.79 4.89 0.00 2.68 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 0.00 137 P 0.00 4.22 0.00 2.11 1.93 0.00 3.72 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 1.93 1.65 0.00 138 Q 7.88 4.57 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.65 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 *139 H 7.52 4.58 0.00 2.87 2.63 0.00 7.16 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.26 4.75 0.00 1.67 1.09 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 0.99 7.81 141 A 9.36 4.01 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 0.00 142 I 7.24 3.56 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 0.71 0.91 0.00 0.00 143 R 7.84 4.53 0.00 1.79 1.83 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 144 R 7.52 4.05 0.00 1.82 1.70 0.00 3.24 0.00 0.00 3.26 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 145 D 7.59 4.75 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 4.50 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 0.00 147 R 7.89 4.26 0.00 1.84 1.85 0.00 3.22 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *148 Y 7.91 4.71 0.00 2.12 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 0.00 0.00 0.00 0.00 149 N 8.54 4.36 0.00 2.72 2.89 0.00 0.00 6.91 7.96 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 *150 W 8.47 4.36 0.00 2.47 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 0.00 0.00 0.00 0.00 151 I 7.91 3.96 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 1.50 1.09 0.91 0.00 0.00 152 C 8.17 4.59 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 0.00 153 D 7.44 4.66 0.00 2.64 2.55 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 0.00 154 P 0.00 4.09 0.00 2.08 1.85 0.00 3.71 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 1.95 1.61 0.00 155 V 8.00 3.80 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 0.86 0.00 0.00 0.93 0.00 0.00 *156 H 8.06 4.33 0.00 2.92 2.96 0.00 7.23 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.31 4.22 0.00 1.62 1.63 0.00 1.91 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.19 0.83 7.81 *158 H 8.64 4.32 0.00 2.98 3.15 0.00 7.16 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.34 4.20 0.00 1.68 1.94 0.00 3.24 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 160 E 8.39 4.42 0.00 1.96 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 2.13 0.00 161 A 9.18 5.64 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 0.00 162 R 7.52 4.22 0.00 1.84 1.84 0.00 3.25 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 163 G 8.65 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 0.00 0.00 0.00 0.00 164 L 7.83 4.32 0.00 1.68 1.52 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 165 T 6.60 4.49 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 0.00 166 A 7.40 4.43 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 0.00 167 T 7.41 4.19 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 0.00 168 G 8.05 3.90 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 0.00 0.00 0.00 169 K 8.31 4.06 0.00 1.77 1.87 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.11 7.81 170 K 7.88 4.31 0.00 1.88 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.38 1.32 7.81 171 S 8.72 4.84 0.00 3.64 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 0.00 172 R 6.73 4.70 0.00 1.76 1.77 0.00 3.35 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.00 173 G 6.27 5.13 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 0.00 174 I 7.46 4.56 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 0.88 0.91 0.00 0.00 175 N 8.28 4.13 0.00 2.74 2.52 0.00 0.00 7.09 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 0.00 176 K 8.82 4.01 0.00 1.82 2.12 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.20 0.92 7.81 177 G 8.33 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 0.00 0.00 0.00 *178 H 8.35 3.91 0.00 3.02 3.07 0.00 7.31 0.00 0.00 0.00 0.00 5.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 6.71 4.34 0.00 1.78 1.61 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.11 0.77 7.81 *180 F 8.51 4.87 0.00 2.24 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 0.00 0.00 0.00 181 N 7.75 5.20 0.00 2.59 2.70 0.00 0.00 6.60 6.91 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 0.00 182 N 7.98 4.95 0.00 2.67 2.63 0.00 0.00 6.75 7.71 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 0.00 183 T 7.92 4.71 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 0.00 184 K 8.79 3.51 0.00 1.91 1.38 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 0.98 7.81 185 A 10.14 3.57 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 0.00 186 G 9.72 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 0.00 0.00 0.00 187 R 6.98 4.82 0.00 1.77 1.57 0.00 3.23 0.00 0.00 3.92 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.13 0.00 188 R 9.30 3.94 0.00 2.01 1.99 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.00 189 K 7.88 4.15 0.00 1.70 1.51 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.16 0.89 7.81 * Residues marked with a * may have inaccurate shift predictions.