NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1352 8.2493 123.5842 51.0959 20.3809 176.2095 5 D 4.6175 8.3138 117.0439 53.0858 36.7004 173.9477 6 M 3.9017 8.1947 127.4023 53.5814 33.5307 175.2217 7 E 3.5812 8.4039 126.5115 56.4244 29.6609 177.5188 8 V 4.3795 8.2599 122.8888 58.4179 35.0093 172.4019 9 I 4.0610 8.2145 123.5470 59.3049 35.9908 171.9294 10 E 4.9565 8.1134 119.3525 56.0899 29.9764 174.2009 11 L 3.9866 8.1873 124.4626 55.7440 41.7121 174.4765 12 N 4.0079 8.7308 123.9851 53.5699 37.7412 172.8165 13 K 4.8714 8.4218 124.2359 54.7293 34.2258 175.2942 14 C 4.8823 8.1942 121.8068 57.3792 34.6025 173.4197 15 T 3.8940 8.3934 115.0886 64.4921 67.4846 174.3416 16 S 4.7644 7.2780 113.5918 55.6479 63.0817 172.5540 17 G 4.0049 7.2286 108.8326 46.2329 0.0000 170.7442 18 Q 4.8586 8.6678 122.0871 55.3271 32.0756 174.2139 19 S 5.0209 9.3832 123.7317 55.9584 66.5097 171.3280 20 F 5.4191 7.8694 120.1373 58.1541 38.7401 173.9617 21 E 4.3206 8.1657 121.0822 55.6743 30.8387 177.7889 22 V 4.4849 7.9370 120.5730 60.0349 31.2510 174.6839 23 I 3.7498 7.8778 121.7426 61.1142 36.1637 176.2739 24 L 4.5439 8.7790 129.1083 55.1442 43.8333 177.2000 25 K 4.5524 7.6495 118.6512 52.4521 34.7773 175.8167 26 P 4.1440 0.0000 0.0000 59.9420 32.0800 174.0585 27 P 4.2207 0.0000 0.0000 65.4203 30.8344 175.4306 28 S 3.6426 8.0045 119.3798 57.9657 59.7866 173.2531 *29 F 4.5492 7.5018 125.2468 58.0432 44.5466 171.9516 30 D 4.3895 9.3041 119.7487 55.0973 39.5537 173.3695 *45 P 4.2383 0.0000 0.0000 64.2183 32.6133 178.2683 46 S 4.3583 8.0376 114.5876 59.4862 63.1432 176.1050 47 L 3.8837 7.5026 119.9651 54.2522 41.2152 181.0255 48 E 3.9677 8.2820 116.8621 57.4135 30.5797 180.3887 49 E 3.3657 7.9277 116.4069 59.4228 32.2098 177.2680 50 I 4.4190 8.1669 123.1429 58.9173 33.1413 177.4963 51 Q 4.5907 7.8299 120.5700 55.6842 29.7597 177.9168 52 K 4.3724 7.5543 116.4582 57.2196 31.9545 177.7426 53 K 4.1399 7.9994 122.0942 58.9135 32.4809 178.1680 54 L 4.3744 7.4055 114.1163 56.3230 40.5588 176.9128 55 E 4.3296 8.0194 118.2445 58.0484 30.8359 177.5914 56 A 4.0930 7.9929 119.8534 53.5194 18.8670 177.5533 57 A 4.3482 7.7308 118.5622 53.7383 19.4699 179.1104 58 E 4.1886 7.9350 115.5011 58.1924 29.4693 176.8721 59 E 4.7933 8.1303 118.7818 56.3655 30.0411 176.4101 60 R 4.5248 7.5616 115.3249 57.4161 31.9626 177.5981 61 R 4.0786 7.7694 117.1322 58.3109 29.5754 177.7968 62 K 3.9605 7.6103 118.5532 59.5562 32.5783 177.7155 63 Y 4.0138 7.9276 117.6264 60.4400 38.8448 177.2242 64 Q 4.0262 8.7928 121.1338 58.6321 29.1932 177.4790 65 E 3.9484 7.7113 119.8067 59.1026 29.6445 178.4239 66 A 4.2704 8.7768 117.6744 53.0883 18.4843 177.0107 67 E 4.3273 8.3949 118.2635 59.0811 31.1079 179.7903 68 L 4.4745 7.3401 118.1731 54.0008 40.4762 178.4688 69 L 4.5663 8.1120 119.9875 57.2180 43.8634 178.0526 70 K 4.1300 8.0415 115.4787 58.0351 32.1931 176.6560 71 H 4.6905 8.1077 116.5498 57.1867 30.8030 175.2775 72 L 4.3111 7.9815 119.1323 56.1712 41.6661 178.0933 73 A 4.1425 7.9881 120.9334 55.7664 18.2725 178.5260 74 E 4.1210 8.1643 117.1324 58.8089 29.3044 178.7738 75 K 4.0031 7.8928 116.8855 57.3204 31.4273 177.2994 76 R 4.3128 7.6679 116.7547 56.9713 31.9756 177.4363 77 E 4.3640 7.6897 122.6468 56.3755 29.8156 177.7481 78 H 4.8273 11.2100 118.2845 56.9490 32.1486 174.7562 79 E 3.8711 8.3269 119.2216 59.9589 29.3430 178.9245 80 R 3.7010 7.5977 117.0431 59.3976 30.7256 177.6780 81 E 3.9879 8.2430 120.2169 60.3238 28.8202 180.4291 82 V 3.8295 8.2916 121.8596 66.1911 31.9168 180.8703 83 I 4.1173 8.4920 120.0629 64.6241 35.2755 180.6617 84 Q 4.5173 8.1351 120.9113 58.2181 29.3473 177.3779 85 K 4.4543 7.9508 123.1469 56.8776 31.9610 182.4133 86 A 4.5373 7.2929 118.9866 55.5050 19.7288 179.9984 87 I 3.8146 7.4290 119.9956 64.9613 36.7529 178.9349 88 E 4.0256 8.2470 119.5752 61.0164 29.3417 180.5360 89 E 4.3933 7.5911 114.8125 57.2772 30.3730 177.8939 90 N 4.5583 7.9069 118.8163 56.6670 39.3487 176.5190 91 N 4.3987 8.0791 117.6958 55.4166 36.4224 176.3349 92 N 4.2851 7.6984 120.5638 56.6530 38.8786 176.4933 93 F 4.2692 8.3913 121.9329 61.3773 39.5699 177.1221 94 I 3.4464 7.9069 121.2803 64.6938 36.7792 178.8859 95 K 4.6371 7.8114 121.9915 57.5695 33.0054 179.5778 96 M 4.8934 7.4635 119.0982 56.6683 33.8030 176.1708 97 A 4.1633 7.7732 118.1292 53.0064 19.0966 178.9539 98 K 3.9377 8.0655 119.6514 59.2337 32.0727 178.3302 99 E 4.1254 8.0697 118.4555 58.4056 30.2309 179.0618 100 K 4.1369 7.9037 121.0042 56.2802 33.5102 182.6419 101 L 4.1900 8.2043 118.3911 56.2064 40.2206 179.3374 102 A 4.4428 9.2468 120.7521 52.2030 17.9491 180.2055 103 Q 4.6269 10.4109 114.1752 55.9851 31.1090 178.0034 104 K 4.6574 7.1951 119.1282 55.8408 32.3131 174.9836 105 M 4.3024 7.8070 120.5164 54.4422 36.4801 174.7265 106 E 4.5858 8.4421 116.9857 56.1232 30.4738 176.1898 107 S 4.5865 7.8854 112.2520 59.1942 64.0526 175.0963 108 N 4.4827 7.7174 120.8930 56.2211 39.1119 176.5080 109 K 4.0647 7.9656 122.9652 60.0626 32.1763 179.2710 110 E 4.0311 8.1279 118.3415 60.9376 29.5325 181.6445 111 N 4.6446 7.7321 115.6689 56.2310 38.6109 177.5268 112 R 3.9317 7.9115 116.6990 59.6605 29.5547 178.2997 113 E 3.8214 7.8796 120.0067 59.0535 29.5672 179.4889 114 A 4.0772 7.7492 118.5426 54.7459 18.3354 178.8495 115 H 4.4784 7.9381 118.4798 59.1087 30.2284 177.9171 116 L 4.0351 8.5042 125.0125 59.5007 40.8393 183.5188 117 A 4.1143 8.1682 123.0031 54.9971 18.4414 178.8535 118 A 4.3096 8.0268 115.5602 53.0424 18.1825 177.9440 119 M 4.3697 8.0322 117.4396 57.2610 33.1417 177.9859 120 L 3.8733 7.6279 118.7831 57.2755 41.4188 178.3688 121 E 4.2433 8.7214 119.1991 58.2312 29.4382 177.9903 122 R 4.2939 7.2676 115.8169 57.0646 30.0895 176.6237 123 L 4.7132 7.5062 117.0440 54.8186 44.4016 178.3376 124 Q 4.1602 8.6325 117.8211 57.9193 28.9311 177.6080 125 E 4.2245 7.5062 114.7654 57.7298 29.8949 176.9768 126 K 4.5696 8.0151 116.0154 56.3848 32.7713 176.7261 127 D 4.8922 7.6196 120.8219 56.2695 42.2108 178.7007 128 K 4.3420 8.5414 121.8958 58.1561 31.0297 179.8714 129 H 4.6961 7.8475 117.5572 59.1815 30.3824 176.8360 130 A 4.0182 7.9841 124.6663 55.6034 17.8659 179.9328 131 E 3.9280 8.3147 115.6958 59.2133 30.0926 181.9975 132 E 4.4188 7.4565 110.1758 57.2645 30.6226 181.2738 133 V 4.1879 7.3045 108.8997 62.7622 31.9433 178.4961 134 R 4.0177 8.0373 118.4223 59.5207 29.4631 178.7319 135 K 4.3946 7.3245 120.2611 56.6133 31.5669 179.0587 136 N 4.8598 7.9856 121.2323 56.5639 39.0013 177.6216 137 K 3.9600 7.8284 123.5478 58.3143 32.1575 184.4209 138 E 4.4054 8.1209 118.7920 55.2676 28.2991 181.0584 139 L 4.4999 6.8463 116.8274 53.6510 44.2683 175.0014 140 K 4.2988 7.9470 121.5199 54.3765 35.3503 175.5171 141 E 4.3454 8.7973 120.0057 55.1850 30.7387 171.5840 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 4 A 8.25 4.14 1.31 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 0.00 0.00 0.00 5 D 8.31 4.62 0.00 2.95 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 6 M 8.19 3.90 0.00 2.06 2.02 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 2.62 2.49 0.00 7 E 8.40 3.58 0.00 2.14 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 2.13 1.85 0.00 8 V 8.26 4.38 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 9 I 8.21 4.06 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 0.54 0.91 0.00 0.00 10 E 8.11 4.96 0.00 1.88 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 2.54 0.00 11 L 8.19 3.99 0.00 1.81 1.68 0.92 0.86 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 12 N 8.73 4.01 0.00 2.96 2.87 0.00 0.00 6.92 6.50 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 13 K 8.42 4.87 0.00 1.78 1.70 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 14 C 8.19 4.88 0.00 2.92 2.96 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 0.00 0.00 0.00 15 T 8.39 3.89 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 16 S 7.28 4.76 0.00 4.08 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 17 G 7.23 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 18 Q 8.67 4.86 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 19 S 9.38 5.02 0.00 3.41 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 20 F 7.87 5.42 0.00 3.22 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 21 E 8.17 4.32 0.00 2.07 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 2.35 2.30 0.00 22 V 7.94 4.48 2.33 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 0.79 0.00 0.00 1.02 0.00 0.00 23 I 7.88 3.75 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 0.69 0.91 0.00 0.00 24 L 8.78 4.54 0.00 1.58 1.81 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.65 4.55 0.00 1.75 1.51 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 1.00 7.81 26 P 0.00 4.14 0.00 2.04 2.01 0.00 3.69 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 2.03 2.13 0.00 27 P 0.00 4.22 0.00 2.17 2.22 0.00 3.92 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 28 S 8.00 3.64 0.00 4.12 3.94 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 *29 F 7.50 4.55 0.00 2.29 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 0.00 0.00 0.00 30 D 9.30 4.39 0.00 2.67 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 *45 P 0.00 4.24 0.00 2.19 2.17 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 1.88 1.97 0.00 46 S 8.04 4.36 0.00 3.65 3.79 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 47 L 7.50 3.88 0.00 1.66 1.54 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.28 3.97 0.00 2.03 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 2.35 2.35 0.00 49 E 7.93 3.37 0.00 2.12 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 2.32 2.30 0.00 50 I 8.17 4.42 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 1.35 0.80 0.91 0.00 0.00 51 Q 7.83 4.59 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 52 K 7.55 4.37 0.00 2.05 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.37 7.81 53 K 8.00 4.14 0.00 1.75 1.78 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.36 7.81 54 L 7.41 4.37 0.00 1.84 1.76 0.92 0.89 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 55 E 8.02 4.33 0.00 2.16 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 2.37 2.31 0.00 56 A 7.99 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 57 A 7.73 4.35 1.31 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 0.00 0.00 0.00 58 E 7.93 4.19 0.00 2.05 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 2.38 2.36 0.00 59 E 8.13 4.79 0.00 2.10 1.90 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 2.29 2.40 0.00 60 R 7.56 4.52 0.00 2.07 1.93 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 61 R 7.77 4.08 0.00 1.90 2.11 0.00 3.08 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 62 K 7.61 3.96 0.00 2.20 1.82 0.00 1.59 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.49 7.81 63 Y 7.93 4.01 0.00 2.97 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 64 Q 8.79 4.03 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 65 E 7.71 3.95 0.00 1.88 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 2.28 2.31 0.00 66 A 8.78 4.27 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 67 E 8.39 4.33 0.00 1.79 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 1.90 1.99 0.00 68 L 7.34 4.47 0.00 1.65 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.11 4.57 0.00 1.85 1.56 0.91 0.43 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 70 K 8.04 4.13 0.00 1.76 1.77 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 71 H 8.11 4.69 0.00 3.42 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.98 4.31 0.00 1.80 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.99 4.14 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 0.00 0.00 0.00 0.00 0.00 74 E 8.16 4.12 0.00 2.10 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 2.35 2.33 0.00 75 K 7.89 4.00 0.00 1.62 1.77 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.31 7.81 76 R 7.67 4.31 0.00 2.12 1.84 0.00 3.21 0.00 0.00 3.27 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 77 E 7.69 4.36 0.00 2.01 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 2.33 2.41 0.00 78 H 11.21 4.83 0.00 3.21 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.33 3.87 0.00 2.31 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 2.39 2.40 0.00 80 R 7.60 3.70 0.00 1.89 1.86 0.00 3.57 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 81 E 8.24 3.99 0.00 1.98 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 2.36 2.36 0.00 82 V 8.29 3.83 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 0.77 0.00 0.00 0.93 0.00 0.00 83 I 8.49 4.12 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 0.54 0.91 0.00 0.00 84 Q 8.14 4.52 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 85 K 7.95 4.45 0.00 1.82 1.76 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.31 7.81 86 A 7.29 4.54 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 87 I 7.43 3.81 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 1.39 1.12 0.97 0.00 0.00 88 E 8.25 4.03 0.00 1.97 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 2.25 2.20 0.00 89 E 7.59 4.39 0.00 2.22 2.20 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 2.44 2.31 0.00 90 N 7.91 4.56 0.00 3.06 2.87 0.00 0.00 6.79 6.48 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 91 N 8.08 4.40 0.00 3.01 3.08 0.00 0.00 6.73 6.31 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 92 N 7.70 4.29 0.00 3.20 3.05 0.00 0.00 6.66 7.59 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 93 F 8.39 4.27 0.00 3.12 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 94 I 7.91 3.45 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.18 0.87 0.00 0.00 95 K 7.81 4.64 0.00 1.86 1.67 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.31 7.81 96 M 7.46 4.89 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 97 A 7.77 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.07 3.94 0.00 1.93 1.72 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.39 7.81 99 E 8.07 4.13 0.00 2.13 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 0.00 2.33 2.23 0.00 100 K 7.90 4.14 0.00 1.81 1.77 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.26 7.81 101 L 8.20 4.19 0.00 1.89 1.17 0.94 1.04 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 0.00 102 A 9.25 4.44 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 0.00 103 Q 10.41 4.63 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.32 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 104 K 7.20 4.66 0.00 1.65 2.00 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.42 7.81 105 M 7.81 4.30 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 106 E 8.44 4.59 0.00 2.16 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 0.00 2.20 2.27 0.00 107 S 7.89 4.59 0.00 4.07 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 0.00 108 N 7.72 4.48 0.00 2.77 2.99 0.00 0.00 6.83 5.97 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 0.00 109 K 7.97 4.06 0.00 1.87 1.79 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 110 E 8.13 4.03 0.00 2.01 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 2.31 1.97 0.00 111 N 7.73 4.64 0.00 3.08 2.90 0.00 0.00 6.69 7.54 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 0.00 112 R 7.91 3.93 0.00 2.08 2.20 0.00 2.81 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 113 E 7.88 3.82 0.00 2.21 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 2.34 2.46 0.00 114 A 7.75 4.08 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 0.00 115 H 7.94 4.48 0.00 3.05 3.60 0.00 5.96 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.50 4.04 0.00 1.65 1.65 0.92 0.52 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 0.00 117 A 8.17 4.11 1.31 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 0.00 0.00 0.00 118 A 8.03 4.31 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 0.00 119 M 8.03 4.37 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 120 L 7.63 3.87 0.00 1.82 1.69 0.91 0.86 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 0.00 121 E 8.72 4.24 0.00 2.00 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 2.30 2.34 0.00 122 R 7.27 4.29 0.00 1.80 1.96 0.00 3.16 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 123 L 7.51 4.71 0.00 1.95 1.65 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.63 4.16 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 125 E 7.51 4.22 0.00 1.97 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 2.29 2.27 0.00 126 K 8.02 4.57 0.00 1.78 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.40 7.81 127 D 7.62 4.89 0.00 2.86 2.67 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 0.00 128 K 8.54 4.34 0.00 1.71 1.80 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.31 7.81 129 H 7.85 4.70 0.00 3.37 3.32 0.00 5.75 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 0.00 130 A 7.98 4.02 1.30 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 0.00 131 E 8.31 3.93 0.00 1.91 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 2.31 1.88 0.00 132 E 7.46 4.42 0.00 2.05 1.88 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 2.22 2.14 0.00 133 V 7.30 4.19 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 0.87 0.00 0.00 0.85 0.00 0.00 134 R 8.04 4.02 0.00 1.95 2.35 0.00 3.05 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 135 K 7.32 4.39 0.00 1.92 1.72 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.30 7.81 136 N 7.99 4.86 0.00 2.98 2.89 0.00 0.00 7.24 6.60 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 0.00 137 K 7.83 3.96 0.00 1.85 1.72 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.39 1.27 7.81 138 E 8.12 4.41 0.00 1.98 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 2.23 1.87 0.00 139 L 6.85 4.50 0.00 1.63 1.43 0.92 0.68 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 0.00 140 K 7.95 4.30 0.00 1.71 1.57 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.11 0.83 7.81 141 E 8.80 4.35 0.00 1.91 1.65 0.00 0.00 0.00 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 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.