NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4023 8.3049 118.1880 54.6433 32.8107 174.8193 2 T 3.5941 8.1761 116.4094 63.8344 69.2979 169.8679 3 E 5.0571 9.2940 126.5764 54.6598 33.0013 174.7208 4 Y 4.7757 8.9413 121.4661 56.2630 40.7925 175.4652 5 K 4.7998 9.3594 125.9684 55.7711 32.7606 175.9985 6 L 5.0609 8.8228 125.7577 52.7643 44.8673 176.0400 7 V 4.6478 8.1211 121.5793 61.1440 34.4771 174.1788 8 V 4.6364 8.8213 128.5112 61.6757 33.0151 175.0042 9 V 4.3388 10.0171 120.8864 58.8540 35.7953 174.8883 10 G 4.2247 7.9910 109.2640 43.8485 0.0000 172.3096 11 A 4.4633 7.9794 123.5615 51.3633 19.1710 177.4949 12 V 3.6635 8.1732 113.2368 63.0627 30.4885 177.5038 13 G 4.0184 9.0107 111.7165 45.7140 0.0000 175.2908 14 V 3.6159 7.2444 111.4682 62.5021 31.9363 176.9562 15 G 4.2685 7.7141 108.7798 45.5978 0.0000 176.2458 16 K 3.9191 8.5357 121.2305 59.3675 32.0489 178.9913 17 S 4.3320 8.2592 115.8405 60.8292 62.9464 176.1779 18 A 4.0178 8.0276 122.9817 55.2917 18.0910 179.5560 19 L 3.9985 7.9945 117.2878 58.3064 41.7393 179.8988 20 T 3.7163 7.7959 115.1671 66.7036 68.2854 176.9085 21 I 3.4904 8.0799 122.0897 63.9964 37.1091 178.3963 22 Q 3.9190 8.1261 119.1257 58.8456 28.3703 178.6895 23 L 3.7227 7.3451 119.5497 58.3426 42.1797 178.7276 24 I 3.9464 7.3651 117.8698 62.9832 37.3218 176.6507 25 Q 4.4232 7.7652 114.6456 54.3706 30.8662 174.6066 26 N 4.3024 7.9527 114.7335 53.3333 36.2419 173.5241 27 H 4.6826 7.3411 109.2954 54.6577 31.3525 173.5136 28 F 4.5856 8.8208 124.1999 57.4420 39.8319 175.3681 29 V 3.8243 7.7454 122.0052 60.0227 31.5677 175.9977 30 D 4.0468 8.2536 126.0572 56.1082 41.7535 177.3788 31 E 4.2546 7.4762 119.7993 55.6556 29.5815 176.2242 *38 D 4.1931 8.4441 118.4628 54.3052 42.3900 174.6507 39 S 5.1789 8.2635 120.1708 56.5772 65.3610 172.6083 40 Y 4.8355 9.0070 122.7797 56.2430 41.7502 174.5789 41 R 5.2026 8.6970 121.5717 54.3133 33.6255 174.8896 42 K 4.5945 8.8297 124.5991 54.9554 36.1614 174.8675 43 Q 4.7572 8.7910 126.8814 56.0672 29.4268 175.6539 44 V 4.6004 9.0464 116.7964 59.5049 36.7999 174.5563 45 V 4.7570 8.3215 120.9332 61.3837 33.5889 174.7249 46 I 4.0890 8.5885 129.4602 60.3647 39.0687 175.5788 47 D 4.4141 9.7576 126.0807 55.2565 38.3067 175.1035 48 G 3.9313 8.4171 107.0861 45.3104 0.0000 173.8656 49 E 4.1745 7.9848 122.0751 55.5724 30.1811 175.0170 50 T 4.7175 8.4209 121.9023 62.1161 68.2538 173.0227 51 C 4.8414 8.9666 122.1186 57.5556 34.0112 172.0767 52 L 5.1154 8.5223 121.4766 53.1827 44.2779 175.1142 53 L 4.6184 8.8155 127.2228 54.5701 42.9037 175.5952 54 D 5.1035 9.1846 125.6477 52.7810 42.4892 174.2411 55 I 4.8958 8.9784 127.4491 59.3613 39.8958 174.5383 56 L 4.6467 8.8530 129.3286 53.6281 43.8650 174.8249 57 D 5.0484 9.0359 128.5311 52.9147 41.3251 175.3508 58 T 4.1385 8.0398 115.3055 60.7407 69.6306 174.7675 59 A 4.1749 8.5911 126.6965 52.4571 19.0494 178.0689 60 G 3.7680 8.6808 111.3852 48.0322 0.0000 175.1984 *61 Q 4.0404 8.1642 122.2014 55.4520 28.2747 182.2938 *62 E 4.1306 9.0691 121.0987 56.8011 29.6788 174.4617 *63 E 4.3204 7.9888 117.1740 58.4691 29.0660 182.0095 *64 Y 4.3481 7.8211 131.7906 55.7415 42.9851 175.5082 65 S 4.2228 9.2633 114.7266 59.8825 62.3876 170.7120 66 A 4.5845 7.7060 120.1370 52.9884 20.7254 177.7290 67 M 4.2666 7.8428 114.1272 57.7158 32.4781 178.3150 68 R 3.3130 7.7964 117.9507 58.4786 30.3856 178.2699 69 D 4.2442 7.7993 118.2342 57.0679 40.4088 178.5142 70 Q 3.9669 7.8095 120.0358 59.2726 29.1794 177.4553 71 Y 4.5110 7.5865 117.7906 59.7573 38.2757 177.3284 72 M 4.6300 7.5745 119.9749 58.1481 32.0479 177.6644 73 R 4.1335 7.6895 119.3053 58.9361 30.4645 177.3842 74 T 4.2722 7.4858 107.3227 62.8506 69.5792 175.6650 75 G 3.5715 7.8301 111.3412 45.8379 0.0000 172.9585 76 E 4.3551 9.1121 123.4035 57.7020 30.7664 176.7731 77 G 4.3059 7.5200 104.1814 44.3821 0.0000 171.4101 78 F 5.3087 8.8082 118.3861 55.3945 43.0216 174.2592 79 L 4.5630 8.8814 124.1711 53.9817 42.9823 175.8479 80 C 4.6851 8.9493 123.8226 58.5823 29.1297 172.9403 81 V 4.9295 8.5743 125.4453 61.0059 33.3879 174.7167 82 F 5.1821 8.8896 121.7314 55.0358 42.0105 173.2840 83 A 5.1784 8.6907 120.4875 50.0321 21.1083 177.9948 84 I 4.1019 8.6265 114.9258 62.3974 38.0597 176.9413 85 N 4.9752 8.0743 117.7803 52.6099 37.5316 175.0803 86 N 4.8556 8.3437 117.6886 51.8793 40.6457 174.4887 87 T 4.0198 8.4006 125.1666 66.2269 68.6759 176.2738 88 K 4.0011 8.1244 121.4765 59.4881 32.1171 178.8135 89 S 4.2659 8.1882 113.1551 61.3835 63.1165 175.9760 90 F 4.0779 8.2483 123.7097 61.2644 38.9494 177.1553 91 E 3.6954 8.4524 118.0926 59.1340 28.9392 178.8407 92 D 4.3395 8.4953 118.7885 56.4538 40.8581 178.4348 93 I 3.9612 7.7423 121.2724 64.7156 37.0709 177.6008 94 H 4.2573 7.6433 120.2934 58.8575 29.6959 177.4005 95 Q 3.8971 7.9286 119.3709 58.9894 28.5781 178.1243 96 Y 4.0562 7.5392 117.6992 60.9677 37.8716 178.5034 97 R 3.7314 8.0650 119.6463 59.4564 30.2869 178.4914 98 E 3.8205 8.0124 118.2740 59.0239 29.3185 179.2207 99 Q 3.8548 7.7011 119.4717 59.1072 29.1587 177.9809 100 I 3.4374 7.6089 120.8099 64.2901 36.8793 178.6330 101 K 4.0273 8.0632 119.3850 59.1333 31.4616 179.3974 102 R 3.8191 7.7498 118.7541 59.6955 29.8666 179.0534 103 V 3.7350 7.5995 110.2275 63.1782 31.6423 177.6839 104 K 4.3863 7.7939 116.0553 54.8527 32.5667 175.7736 105 D 4.4613 7.7544 117.6342 54.8684 39.1356 173.8826 106 S 4.7019 7.6499 111.9122 57.2650 67.1191 174.7370 107 D 4.4277 8.7489 123.4256 55.4191 41.1222 175.9995 108 D 4.8270 7.9989 117.8370 51.3874 40.2115 175.1472 109 V 4.4210 8.0147 123.4547 59.7664 34.4260 173.3322 110 P 4.4637 0.0000 0.0000 63.4745 32.1007 174.8483 111 M 5.1914 8.3652 121.8610 54.6777 35.4496 173.6557 112 V 4.5413 8.5539 124.4063 60.9821 35.4192 173.8424 113 L 5.0622 8.9162 130.1512 54.4096 43.6375 175.1649 114 V 5.2142 8.3613 126.6851 60.3752 34.1352 174.6303 115 G 3.3618 8.3990 116.0858 44.7416 0.0000 172.3712 116 N 5.0994 8.6882 126.4595 51.7168 41.3292 174.5798 117 K 3.9609 8.6964 116.9109 57.9073 28.8898 177.4583 118 C 4.4718 8.0635 112.2550 59.0343 29.4478 174.1254 119 D 4.4048 7.8140 121.0798 55.7693 39.5550 176.3946 120 L 4.2084 7.7643 120.0609 54.3056 42.2100 176.9446 121 A 4.1219 8.4960 124.9210 54.4287 19.4353 178.3704 122 A 4.3697 7.7109 120.3337 50.9336 17.0338 176.6185 123 R 4.6160 7.5466 118.0459 54.5689 31.4944 177.5305 124 T 4.4108 8.8947 109.7182 61.1471 70.6228 174.0907 125 V 4.1038 7.6026 121.9190 60.8954 32.9436 175.3698 126 E 4.2827 8.5367 126.9066 55.7677 31.4666 177.9917 127 S 4.2511 8.5831 118.5010 61.9881 62.9756 177.0960 128 R 3.8606 7.9817 120.7669 59.2216 29.8687 178.0466 129 Q 3.8471 7.9407 118.7076 59.3261 29.0838 178.2481 130 A 3.9576 7.3318 121.6206 54.8468 18.2975 179.3575 131 Q 3.8249 8.0243 118.5956 59.4403 29.2404 178.2965 132 D 4.3339 8.2595 120.1243 56.8870 40.8216 178.5337 133 L 3.5800 7.6486 120.4859 58.0663 42.0878 178.8798 134 A 4.0340 8.1773 121.0949 55.1779 18.1133 179.5934 135 R 3.8651 8.0345 117.5774 59.5194 29.9303 178.9296 136 S 4.1610 7.5653 112.7903 61.2860 63.4314 175.5495 137 Y 4.6803 7.7948 119.6445 58.2054 37.5644 176.2925 138 G 3.8720 7.9111 107.6527 46.3784 0.0000 173.0565 139 I 4.8240 7.8171 111.4614 57.7200 40.8385 173.5317 140 P 4.5552 0.0000 0.0000 63.0290 32.6030 174.4195 141 Y 5.5582 8.6058 123.5859 56.0670 41.3359 174.8738 142 I 4.3158 8.1303 126.1270 59.6166 41.4947 173.9795 143 E 4.7563 8.3606 126.6697 55.4370 30.7188 175.6049 144 T 4.8288 8.5669 112.9035 60.0090 73.2252 173.0393 145 S 4.5727 8.7449 116.0922 56.4902 64.6183 174.5312 146 A 4.0128 8.5047 130.3809 54.4227 18.5767 178.6030 147 K 2.7237 7.6256 116.6823 58.7349 32.2651 177.7797 148 T 4.0166 7.5031 106.0229 61.2039 69.3188 175.3979 149 R 3.8109 8.2168 121.9622 56.4801 29.5560 174.9732 150 Q 3.8983 7.7259 118.7498 57.4923 29.4210 177.1692 151 G 3.8417 8.8804 112.4571 46.3091 0.0000 175.3182 152 V 3.5580 7.4850 120.0179 66.0684 31.5739 177.9478 153 E 3.5106 7.9427 117.8333 59.0320 29.1759 178.2527 154 D 4.2737 8.0019 117.4602 57.6007 41.1286 178.5406 155 A 3.8699 7.9713 120.5161 55.3239 18.4609 179.6958 156 F 4.0825 7.9296 116.4217 60.8971 38.9815 177.6889 157 Y 4.3175 8.7162 116.9313 61.4250 37.6700 178.3893 158 T 3.9300 8.3553 117.0330 66.4623 68.5035 176.4511 159 L 3.9349 7.9506 122.3298 58.0683 42.1136 179.0718 160 V 3.2399 7.7588 118.2188 66.1181 31.4933 178.2965 161 R 3.9072 8.0656 117.6304 59.0666 29.6150 178.8820 162 E 4.0374 8.0644 117.9786 59.4262 29.8448 179.0885 163 I 3.9350 7.8571 119.8983 64.4944 36.9739 178.7530 164 R 4.1398 8.1038 117.7932 58.5719 29.9433 178.0470 165 Q 4.4286 7.5720 115.1795 56.0187 29.1935 175.1473 166 H 4.3894 7.9513 125.3458 56.3589 29.9226 174.6133 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 1 M 8.30 4.40 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 2 T 8.18 3.59 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 0.44 0.00 0.00 3 E 9.29 5.06 0.00 1.72 1.78 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 2.16 2.40 0.00 4 Y 8.94 4.78 0.00 2.85 2.81 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 5 K 9.36 4.80 0.00 1.71 1.76 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.41 7.81 6 L 8.82 5.06 0.00 1.66 1.58 1.11 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.12 4.65 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 1.20 0.00 0.00 0.86 0.00 0.00 8 V 8.82 4.64 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 0.88 0.00 0.00 1.04 0.00 0.00 9 V 10.02 4.34 1.75 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 0.87 0.00 0.00 0.96 0.00 0.00 10 G 7.99 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 11 A 7.98 4.46 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 3.66 2.13 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 0.77 0.00 0.00 0.99 0.00 0.00 13 G 9.01 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 0.00 0.00 0.00 14 V 7.24 3.62 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 0.85 0.00 0.00 0.99 0.00 0.00 15 G 7.71 4.27 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 0.00 16 K 8.54 3.92 0.00 1.82 1.97 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.54 7.81 17 S 8.26 4.33 0.00 3.87 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 18 A 8.03 4.02 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 0.00 0.00 19 L 7.99 4.00 0.00 1.98 1.94 0.85 0.82 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 20 T 7.80 3.72 4.18 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 0.68 0.00 0.00 21 I 8.08 3.49 1.72 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.79 0.69 0.00 0.00 22 Q 8.13 3.92 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 23 L 7.35 3.72 0.00 1.28 1.38 0.64 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.37 3.95 1.57 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 0.90 0.00 0.00 25 Q 7.77 4.42 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 26 N 7.95 4.30 0.00 2.90 2.86 0.00 0.00 6.75 8.12 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 27 H 7.34 4.68 0.00 3.20 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.82 4.59 0.00 2.97 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 29 V 7.75 3.82 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 0.65 0.00 0.00 0.75 0.00 0.00 30 D 8.25 4.05 0.00 2.53 2.65 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 0.00 0.00 0.00 31 E 7.48 4.25 0.00 2.02 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 2.13 2.18 0.00 *38 D 8.44 4.19 0.00 2.83 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 39 S 8.26 5.18 0.00 3.81 3.56 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 40 Y 9.01 4.84 0.00 2.84 2.75 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 41 R 8.70 5.20 0.00 1.65 1.81 0.00 3.19 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 42 K 8.83 4.59 0.00 1.81 1.59 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.43 7.81 43 Q 8.79 4.76 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 44 V 9.05 4.60 2.07 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 0.72 0.00 0.00 0.92 0.00 0.00 45 V 8.32 4.76 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 0.82 0.00 0.00 0.92 0.00 0.00 46 I 8.59 4.09 1.63 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.16 0.43 0.00 0.00 47 D 9.76 4.41 0.00 2.74 2.70 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 48 G 8.42 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 49 E 7.98 4.17 0.00 2.03 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 2.33 2.27 0.00 50 T 8.42 4.72 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 51 C 8.97 4.84 0.00 3.25 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 52 L 8.52 5.12 0.00 1.78 1.53 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.82 4.62 0.00 1.87 1.62 1.01 0.54 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 54 D 9.18 5.10 0.00 2.73 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 55 I 8.98 4.90 1.99 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 1.24 0.66 1.07 0.00 0.00 56 L 8.85 4.65 0.00 1.71 1.47 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 57 D 9.04 5.05 0.00 3.02 2.89 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 58 T 8.04 4.14 4.06 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 0.60 0.00 0.00 59 A 8.59 4.17 1.30 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 68 R 7.80 3.31 0.00 1.82 1.69 0.00 3.31 0.00 0.00 3.56 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 69 D 7.80 4.24 0.00 2.68 2.65 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 0.00 0.00 0.00 70 Q 7.81 3.97 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 71 Y 7.59 4.51 0.00 3.24 3.26 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 72 M 7.57 4.63 0.00 2.00 2.07 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 2.51 2.68 0.00 73 R 7.69 4.13 0.00 1.95 2.12 0.00 3.27 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 74 T 7.49 4.27 4.29 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 1.25 0.00 0.00 75 G 7.83 3.57 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 0.00 0.00 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0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.35 7.81 118 C 8.06 4.47 0.00 3.02 2.95 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 0.00 119 D 7.81 4.40 0.00 2.76 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 0.00 120 L 7.76 4.21 0.00 1.71 1.63 0.93 0.72 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 0.00 121 A 8.50 4.12 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 0.00 122 A 7.71 4.37 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 0.00 123 R 7.55 4.62 0.00 2.07 1.93 0.00 2.98 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 124 T 8.89 4.41 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 0.00 125 V 7.60 4.10 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 -0.12 0.00 0.00 0.84 0.00 0.00 126 E 8.54 4.28 0.00 1.99 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 2.28 2.45 0.00 127 S 8.58 4.25 0.00 3.92 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 0.00 128 R 7.98 3.86 0.00 1.86 1.90 0.00 3.18 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 129 Q 7.94 3.85 0.00 2.16 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 130 A 7.33 3.96 0.59 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 0.00 131 Q 8.02 3.82 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 132 D 8.26 4.33 0.00 2.81 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 0.00 133 L 7.65 3.58 0.00 1.68 1.72 0.48 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.18 4.03 1.50 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 0.00 0.00 135 R 8.03 3.87 0.00 2.03 2.09 0.00 3.10 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 136 S 7.57 4.16 0.00 4.04 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 0.00 137 Y 7.79 4.68 0.00 3.20 2.92 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 0.00 138 G 7.91 3.87 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 0.00 0.00 0.00 139 I 7.82 4.82 2.15 0.00 0.00 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 1.61 0.98 1.01 0.00 0.00 140 P 0.00 4.56 0.00 2.15 2.06 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 141 Y 8.61 5.56 0.00 2.92 3.03 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 0.00 0.00 0.00 142 I 8.13 4.32 1.71 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 1.13 0.44 0.75 0.00 0.00 143 E 8.36 4.76 0.00 1.66 1.71 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 1.87 1.94 0.00 144 T 8.57 4.83 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 1.10 0.00 0.00 145 S 8.74 4.57 0.00 3.76 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 0.00 146 A 8.50 4.01 1.46 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 0.00 147 K 7.63 2.72 0.00 0.79 1.35 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.00 0.65 7.81 148 T 7.50 4.02 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 1.08 0.00 0.00 149 R 8.22 3.81 0.00 1.99 2.00 0.00 3.06 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 150 Q 7.73 3.90 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.57 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 151 G 8.88 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 0.00 0.00 0.00 152 V 7.49 3.56 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 1.06 0.00 0.00 0.92 0.00 0.00 153 E 7.94 3.51 0.00 1.71 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 2.00 2.14 0.00 154 D 8.00 4.27 0.00 2.66 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 0.00 155 A 7.97 3.87 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 0.00 0.00 0.00 0.00 0.00 156 F 7.93 4.08 0.00 2.98 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 0.00 157 Y 8.72 4.32 0.00 3.00 2.94 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 0.00 158 T 8.36 3.93 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 159 L 7.95 3.93 0.00 1.82 1.87 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.76 3.24 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 0.23 0.00 0.00 0.76 0.00 0.00 161 R 8.07 3.91 0.00 2.04 1.95 0.00 3.18 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 1.59 1.86 0.00 162 E 8.06 4.04 0.00 2.14 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 2.63 2.53 0.00 163 I 7.86 3.94 2.05 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 1.56 1.34 1.10 0.00 0.00 164 R 8.10 4.14 0.00 1.96 2.05 0.00 3.22 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 165 Q 7.57 4.43 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 166 H 7.95 4.39 0.00 3.35 3.31 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.