NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5290 8.1933 115.3072 58.4600 64.6874 175.8198 3 D 4.1926 8.1725 119.9724 56.9010 40.6290 177.2440 4 K 4.0474 8.2848 118.7158 59.3799 32.5996 178.7401 5 F 2.7964 8.0024 120.2924 61.0183 39.2402 176.7654 6 N 3.9372 8.4190 116.4999 55.9723 38.0262 177.1252 7 Q 3.8216 8.0825 120.5693 59.0669 29.4668 177.9319 8 F 4.1514 7.8784 121.4452 61.4251 39.4480 176.9262 9 I 2.8576 7.4670 118.3557 63.6664 37.4289 177.0783 10 N 4.3105 7.2976 115.0270 54.8529 38.5537 176.9879 11 R 4.0394 7.3755 119.3518 57.8892 30.3626 177.4799 12 V 3.7715 6.8515 109.2314 60.5122 33.3044 175.0559 13 L 4.4503 7.2182 121.8764 52.5294 42.8974 175.9908 14 S 4.2626 8.6006 120.7386 59.1580 62.7731 173.5228 15 H 4.7639 8.7615 120.5777 56.0633 29.0482 174.7283 16 E 4.6676 8.2254 121.4532 54.0080 31.2918 176.2663 17 G 2.2764 7.3478 113.6613 45.2617 0.0000 173.2900 18 G 3.9817 8.2024 108.5933 46.1259 0.0000 173.2086 19 Y 4.4730 7.6311 117.3237 58.1044 39.9381 175.8794 20 A 4.3309 7.8959 126.2237 50.5542 23.2957 175.0632 21 N 4.5696 8.1904 118.9398 53.3900 41.4778 172.9414 22 H 4.7789 8.5664 126.6453 53.4982 31.7917 173.5617 23 P 4.2565 0.0000 0.0000 65.6068 31.2665 177.3103 24 K 4.3391 8.1645 114.3637 56.9225 32.8146 176.4603 25 D 4.8281 8.1362 118.6417 51.6402 41.0892 173.8947 26 P 4.2500 0.0000 0.0000 65.8023 32.0798 179.5913 27 G 3.6285 8.1457 107.1475 47.4381 0.0000 174.6470 28 G 3.9577 7.7720 106.8053 44.5584 0.0000 173.4805 29 E 4.0558 7.9000 122.7896 56.9005 30.7304 175.8077 30 T 5.1804 8.8693 123.2375 61.8011 72.3996 172.4819 31 N 4.9604 8.5663 123.5448 52.1826 42.7839 174.3226 32 W 3.5674 9.1461 124.5680 57.9203 27.1407 175.5101 33 G 3.9918 8.5089 104.1706 45.8605 0.0000 173.8583 34 I 4.3282 7.6423 121.8790 59.4883 38.6197 175.7192 35 T 4.5477 8.1467 116.1871 60.9556 71.0143 175.2905 36 K 3.8946 8.6306 123.5446 59.9681 32.1598 179.2780 37 R 3.9153 8.0565 118.0957 59.6362 29.9059 179.1273 38 T 3.6419 7.7780 114.9885 66.4137 68.3225 176.4044 39 A 4.0659 8.2493 122.9805 55.5674 18.2442 179.8491 40 Q 3.9564 8.3480 115.1374 58.7857 28.8528 178.3413 41 A 4.2495 7.9354 120.4093 53.6172 18.4024 177.4337 42 N 4.8575 7.3858 113.0995 52.9575 39.6497 175.6176 43 G 3.7880 8.6440 104.8869 45.6725 0.0000 173.5287 44 Y 4.3073 8.1230 121.3502 56.2685 38.3302 174.7496 45 N 4.7565 8.1264 123.4701 52.7794 39.6643 176.1613 46 G 3.6285 6.3927 107.6590 44.5668 0.0000 173.0473 47 S 4.3228 8.1272 113.7942 57.9724 63.3111 173.6603 *49 R 3.9276 8.4571 116.7862 56.2971 31.2909 176.3488 50 A 4.1295 7.8109 120.5684 51.6590 17.0769 177.0573 *52 T 4.2524 7.8997 111.5810 61.9332 71.3259 174.6206 53 R 2.5100 7.6955 121.0332 58.9934 29.7854 178.5601 54 E 3.8326 7.7561 117.7934 59.5054 29.5740 179.1183 55 Q 3.9568 8.0092 117.7254 58.7900 28.6647 178.7360 56 A 3.8112 7.7594 121.6892 55.2794 18.3640 179.7358 57 I 3.9721 7.9858 118.5917 64.7717 37.0366 178.7770 58 S 4.1666 8.2894 116.0005 61.7333 62.6438 176.9684 59 I 3.7600 7.6819 122.3648 64.6039 36.8513 178.0883 60 Y 4.6323 8.3974 118.0407 61.1329 37.7139 178.5961 61 R 3.4647 8.5199 119.9622 59.0134 30.0149 178.5603 62 K 4.0588 7.9161 119.1950 59.5294 32.1838 178.7215 63 A 4.1917 8.5660 119.7530 53.9503 18.6479 177.3284 64 F 4.9873 8.6733 116.4206 59.7817 41.3907 177.2678 65 W 3.9979 8.4493 126.9416 60.6117 30.9757 177.9715 66 E 3.9016 8.8642 118.8506 59.3019 28.7692 179.0787 67 R 3.6603 7.4396 117.4637 59.2401 30.0364 176.7425 68 Y 4.6225 7.4964 111.5740 56.7644 38.6251 175.8720 69 R 3.5363 7.5349 118.0964 57.1634 28.1474 177.7875 70 A 3.6887 7.2482 119.5430 54.0194 18.8056 179.3231 71 D 3.7313 6.4007 114.4339 55.4745 40.1240 177.0618 72 Q 4.1279 7.1837 121.3508 54.3606 27.8811 174.1231 *74 P 4.2310 0.0000 0.0000 61.9340 34.4024 177.2609 75 E 4.0810 8.6534 120.0233 59.8815 29.5646 179.7592 76 A 4.0740 7.5503 117.8028 54.9316 18.2987 179.9122 77 V 3.4846 7.8174 116.1595 66.1320 31.6944 177.6127 78 A 4.2874 8.2720 120.7759 55.4832 18.2484 179.2673 79 F 4.3334 8.9301 119.1319 61.9712 39.4813 177.4518 80 Q 4.3155 8.7266 117.5959 58.8539 28.5707 178.3745 81 F 4.5664 8.8038 122.1589 61.0137 39.4171 176.8969 82 F 3.2874 8.7823 120.7918 61.2089 39.1884 176.4578 83 D 4.1094 7.9329 116.7073 57.3809 40.9456 178.1559 84 A 3.6352 8.2029 121.1707 55.2066 18.3212 179.4536 85 C 3.9393 7.6142 115.1859 62.8420 27.8272 176.5541 86 V 3.5097 6.9747 118.6139 65.5187 31.0801 177.2971 87 N 4.4850 7.4527 114.8169 55.5515 38.9817 176.4454 88 H 4.3513 7.6416 115.0843 53.8868 30.1828 175.5515 89 G 4.2352 7.3789 109.6410 44.9419 0.0000 174.4285 90 Y 4.1307 9.4221 121.5358 61.0553 38.0660 179.2384 91 G 3.7882 8.3088 106.0629 47.8845 0.0000 175.2116 92 N 4.3858 8.2098 117.1965 56.1188 38.7762 176.9023 93 A 4.2241 8.4272 120.7395 55.0423 18.7889 179.0590 94 A 4.1073 8.7300 119.6695 55.2936 18.4049 181.4067 95 R 4.3334 7.9907 116.1587 56.2936 30.1533 178.8065 *97 L 4.2464 7.9557 122.3460 55.3042 44.1265 178.6909 98 Q 3.9547 8.1773 117.4158 59.0150 29.1666 178.7339 99 R 3.8994 8.5042 117.0745 59.2365 30.2719 178.9372 100 A 3.9914 8.1470 118.8533 54.8931 18.4382 177.8290 101 A 4.2392 7.8926 116.2728 51.9134 19.0047 177.4830 102 G 3.9030 8.0070 103.8144 46.5348 0.0000 174.2214 103 V 4.4949 7.5381 111.2569 57.9081 34.6613 174.2546 104 P 4.2415 0.0000 0.0000 63.4098 32.1053 177.2809 105 D 4.9015 8.4257 124.7225 52.3641 38.2756 176.2071 106 D 4.5039 7.7958 116.7947 54.1876 40.6230 178.2492 107 G 3.9209 8.9704 109.2340 45.3532 0.0000 173.5658 108 V 4.1654 8.1417 119.8497 61.2152 31.5920 175.7205 109 I 4.2022 8.4698 129.9021 60.1306 36.6490 175.7625 110 G 4.2994 7.9246 119.2272 44.2161 0.0000 172.1333 111 A 3.9059 8.7131 120.1929 55.2960 18.5090 179.9520 112 V 3.4950 7.7103 116.2312 66.2596 31.5678 178.3043 113 S 4.0522 7.9109 114.3009 61.6343 62.8012 176.5571 114 L 3.8765 8.1738 122.0585 57.4035 41.4309 179.3525 115 K 3.8384 8.3025 119.7130 59.4414 32.1784 178.6841 116 A 3.9452 7.8889 120.8658 55.2946 18.1092 179.4691 117 I 3.5530 7.5875 117.1491 64.5402 37.2763 177.7432 118 N 4.5836 8.0321 114.9933 54.3720 38.7710 176.7330 119 S 4.4322 7.5799 114.6372 59.0647 64.2951 175.0053 120 L 4.1639 7.1541 121.3971 53.3855 42.2431 175.6819 121 P 4.3072 0.0000 0.0000 62.5829 32.7817 177.1340 122 E 3.9314 8.9359 123.0454 59.5473 29.4623 178.9060 123 N 4.3447 8.1072 116.3716 56.1624 37.4727 176.7771 124 D 4.3312 8.0384 120.8210 56.8870 40.9244 178.2779 125 L 3.9706 7.9479 120.8201 58.3063 42.0795 179.1019 126 L 4.1529 8.2672 118.9304 57.2241 41.5188 179.2644 127 L 3.9849 8.1104 120.8037 58.3093 42.1343 179.2313 128 R 3.9773 7.9525 117.8323 59.1964 29.9839 178.8700 129 F 4.3019 8.5821 120.6509 61.5460 39.4272 177.0301 130 N 4.3028 8.6350 115.9758 56.0121 38.2449 177.2282 131 A 4.0324 8.1214 122.4350 55.2885 18.4425 179.5425 132 E 3.9410 8.3052 117.0236 59.6343 29.4182 179.8405 133 R 3.8976 7.8581 118.1357 59.0353 30.0321 179.0943 134 L 4.1351 8.1566 119.1405 57.5315 41.4310 179.5130 135 V 3.6325 8.0929 118.5001 65.9359 31.3815 177.7540 136 F 4.0144 8.2743 120.2571 61.5150 39.2764 176.0608 137 Y 4.1688 8.8074 119.6757 61.3152 38.3046 178.5956 138 T 4.1260 8.1003 108.6300 64.1957 68.8106 175.8104 139 K 4.2080 7.3795 120.2016 57.5817 32.7410 177.2661 140 L 4.4752 7.6362 114.2287 53.6732 44.0652 176.7481 141 G 3.3049 7.7675 108.8749 44.9455 0.0000 172.7703 142 T 4.4210 7.8178 108.4672 59.7550 71.7925 173.9242 143 F 4.8552 8.4638 118.1863 57.7770 39.0893 176.8979 144 T 4.2982 7.5865 113.4962 61.3190 70.5225 175.0254 145 S 4.1464 8.6679 115.8947 61.4818 62.7738 176.2060 146 F 4.4053 8.4186 123.8238 61.1896 39.2942 177.2163 147 G 3.5307 8.1613 106.5308 47.2076 0.0000 175.7280 148 K 3.8944 8.2942 121.6178 58.8739 32.0903 179.6711 149 G 3.5832 8.2001 106.3156 47.5718 0.0000 175.8171 150 W 4.2759 7.7930 119.9866 59.0070 28.2041 178.9256 151 V 3.0869 6.9155 120.0385 64.1059 30.6180 178.3408 152 R 3.7181 7.8680 119.4867 59.1281 29.8761 178.4861 153 R 3.8908 7.8161 117.9712 59.4055 30.1094 178.5410 154 V 3.6212 8.1630 118.0695 66.0396 31.5377 177.7109 155 A 3.9422 8.2004 120.7308 55.3492 18.2123 179.4573 156 Q 3.8514 8.2219 117.9739 59.2460 29.1277 177.8971 157 N 4.3791 8.8378 117.9524 56.4717 38.6797 177.3207 158 L 4.0587 8.0917 120.3068 57.6038 41.4395 179.4228 159 I 3.6878 7.5186 118.9494 64.8622 37.4229 177.7480 160 H 4.4053 8.1942 116.4978 59.0188 28.3977 177.7377 161 A 4.2340 8.1412 120.8389 53.8701 18.2744 178.6427 162 S 4.6021 7.5242 110.2972 57.9552 63.5692 174.1284 163 A 4.1659 7.8085 131.0592 52.9496 18.1071 177.6340 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 S 8.19 4.53 0.00 3.92 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 3 D 8.17 4.19 0.00 2.84 2.72 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 4 K 8.28 4.05 0.00 2.07 2.18 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.26 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.66 1.61 7.81 5 F 8.00 2.80 0.00 2.19 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 6 N 8.42 3.94 0.00 2.72 2.73 0.00 0.00 6.71 7.10 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 7 Q 8.08 3.82 0.00 2.03 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 8 F 7.88 4.15 0.00 3.13 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 9 I 7.47 2.86 0.72 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.47 0.00 0.00 10 N 7.30 4.31 0.00 2.62 2.75 0.00 0.00 7.08 9.01 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 11 R 7.38 4.04 0.00 1.73 1.94 0.00 3.12 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 12 V 6.85 3.77 1.09 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 -0.33 0.00 0.00 -0.89 0.00 0.00 13 L 7.22 4.45 0.00 1.22 1.45 1.19 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.60 4.26 0.00 3.91 3.98 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 0.00 0.00 0.00 15 H 8.76 4.76 0.00 3.24 3.44 0.00 5.91 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.23 4.67 0.00 1.93 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 2.17 2.34 0.00 17 G 7.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.63 4.47 0.00 2.75 2.83 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 20 A 7.90 4.33 0.97 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 0.00 0.00 21 N 8.19 4.57 0.00 2.14 2.55 0.00 0.00 6.88 7.89 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 22 H 8.57 4.78 0.00 3.20 3.09 0.00 5.93 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.26 0.00 2.03 2.08 0.00 3.17 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 24 K 8.16 4.34 0.00 1.80 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.41 7.81 25 D 8.14 4.83 0.00 2.67 2.47 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 26 P 0.00 4.25 0.00 2.26 2.32 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 27 G 8.15 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.77 3.96 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 0.00 0.00 0.00 29 E 7.90 4.06 0.00 2.17 1.93 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 2.40 2.37 0.00 30 T 8.87 5.18 4.10 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 0.00 0.00 1.18 0.00 0.00 31 N 8.57 4.96 0.00 2.97 2.67 0.00 0.00 6.94 7.97 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 32 W 9.15 3.57 0.00 3.52 3.39 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 0.00 33 G 8.51 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.64 4.33 1.93 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.92 0.75 0.00 0.00 35 T 8.15 4.55 4.40 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 1.18 0.00 0.00 36 K 8.63 3.89 0.00 1.88 2.03 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.47 1.56 7.81 37 R 8.06 3.92 0.00 1.87 1.94 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 38 T 7.78 3.64 4.19 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 0.79 0.00 0.00 39 A 8.25 4.07 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.35 3.96 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 41 A 7.94 4.25 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 42 N 7.39 4.86 0.00 2.80 2.76 0.00 0.00 7.05 7.53 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 43 G 8.64 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 0.00 0.00 0.00 44 Y 8.12 4.31 0.00 2.93 3.05 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 45 N 8.13 4.76 0.00 2.61 2.73 0.00 0.00 7.14 7.65 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 46 G 6.39 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.13 4.32 0.00 3.88 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 *49 R 8.46 3.93 0.00 1.52 1.86 0.00 2.21 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.39 0.00 50 A 7.81 4.13 1.36 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 0.00 0.00 0.00 *52 T 7.90 4.25 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 1.25 0.00 0.00 53 R 7.70 2.51 0.00 0.67 1.42 0.00 2.84 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 1.20 0.65 0.00 54 E 7.76 3.83 0.00 2.01 1.93 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 2.35 2.39 0.00 55 Q 8.01 3.96 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 56 A 7.76 3.81 1.17 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 0.00 0.00 57 I 7.99 3.97 2.04 0.00 0.00 0.74 0.00 0.00 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101 A 7.89 4.24 1.29 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 0.00 0.00 102 G 8.01 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 0.00 103 V 7.54 4.49 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 0.77 0.00 0.00 0.93 0.00 0.00 104 P 0.00 4.24 0.00 2.04 2.01 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 105 D 8.43 4.90 0.00 2.81 2.73 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 0.00 106 D 7.80 4.50 0.00 2.81 2.84 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 0.00 107 G 8.97 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 0.00 108 V 8.14 4.17 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 0.84 0.00 0.00 0.97 0.00 0.00 109 I 8.47 4.20 2.08 0.00 0.00 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134 L 8.16 4.14 0.00 1.93 1.76 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.09 3.63 2.35 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 1.04 0.00 0.00 1.04 0.00 0.00 136 F 8.27 4.01 0.00 3.15 3.18 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 0.00 137 Y 8.81 4.17 0.00 3.08 3.15 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 0.00 138 T 8.10 4.13 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 1.34 0.00 0.00 139 K 7.38 4.21 0.00 1.56 1.73 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.57 7.81 140 L 7.64 4.48 0.00 0.72 1.24 0.42 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.77 3.30 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 0.00 142 T 7.82 4.42 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 1.23 0.00 0.00 143 F 8.46 4.86 0.00 3.14 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 0.00 144 T 7.59 4.30 4.38 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 1.31 0.00 0.00 145 S 8.67 4.15 0.00 4.14 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 0.00 146 F 8.42 4.41 0.00 3.21 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 0.00 147 G 8.16 3.53 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 0.00 148 K 8.29 3.89 0.00 1.87 1.84 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.54 1.65 7.81 149 G 8.20 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 0.00 0.00 0.00 150 W 7.79 4.28 0.00 3.40 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.92 3.09 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 0.00 0.00 0.29 0.00 0.00 -0.17 0.00 0.00 152 R 7.87 3.72 0.00 1.93 2.09 0.00 3.07 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 153 R 7.82 3.89 0.00 1.99 2.14 0.00 3.31 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 154 V 8.16 3.62 2.28 0.00 0.00 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 1.27 0.00 0.00 155 A 8.20 3.94 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 0.00 156 Q 8.22 3.85 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 157 N 8.84 4.38 0.00 2.98 3.08 0.00 0.00 7.01 6.93 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 0.00 158 L 8.09 4.06 0.00 1.91 1.72 0.92 0.65 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 0.00 159 I 7.52 3.69 1.95 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 1.51 0.62 0.92 0.00 0.00 160 H 8.19 4.41 0.00 3.37 3.34 0.00 5.63 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 0.00 161 A 8.14 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.52 4.60 0.00 4.07 4.03 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 0.00 163 A 7.81 4.17 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 * Residues marked with a * may have inaccurate shift predictions.