NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 E 4.4690 8.4293 120.2284 56.5196 32.1985 175.6310 22 T 3.9769 8.5518 109.3741 61.7043 68.9210 174.3267 *24 L 4.2196 9.2602 122.8703 53.7315 45.3244 178.4412 25 R 3.7097 7.3057 117.4616 55.8223 30.3786 174.1883 26 P 4.0310 0.0000 0.0000 62.6039 31.7732 175.9558 27 K 4.0316 8.2368 121.3528 57.8542 32.7924 175.7852 28 G 4.2842 9.1505 110.0081 46.3037 0.0000 175.7205 29 F 3.9903 8.4568 118.7083 61.1507 38.8126 177.3016 30 D 4.5043 8.0905 117.4296 57.0089 39.3010 179.2089 31 K 4.0559 8.0438 120.4404 58.1194 32.2550 179.2909 32 L 4.0095 8.2995 121.1530 58.1188 42.0501 178.0941 33 D 4.2755 8.7507 118.6793 57.8982 41.1031 177.8002 34 H 4.0754 8.5386 118.5052 59.5321 29.8296 176.6050 35 Y 4.0097 8.5109 121.3768 60.7860 38.6135 177.7722 36 F 3.9943 9.1917 119.2342 60.4530 38.4750 177.6996 37 R 4.0768 8.4011 119.8758 59.2339 29.8139 178.7375 38 T 3.8856 7.6436 108.3307 64.2516 69.0035 175.0458 39 E 4.1590 7.8163 119.4394 56.3998 30.5120 176.6030 40 L 4.3597 7.3448 115.1196 53.4879 42.9602 175.6317 41 D 4.4826 7.6068 116.3245 55.6373 38.3145 173.6111 42 I 4.6591 7.9570 119.5555 59.6131 40.2369 174.7740 43 D 4.7483 9.2706 128.4869 53.1894 41.6981 175.3348 44 L 4.6627 8.4541 126.1179 53.6824 43.8007 176.0286 45 T 4.6795 8.4244 110.7690 59.2739 72.0019 174.8656 46 D 4.4829 8.8062 121.0762 57.6805 40.5553 178.7467 47 E 3.9700 8.2311 119.2512 59.6980 29.6353 178.8258 48 T 4.0325 7.8481 109.0335 64.3172 68.9429 176.8754 49 I 3.3583 8.0365 123.4033 64.1571 36.9777 178.0245 50 E 4.0150 8.1368 119.3290 59.4760 29.3061 179.4883 51 L 3.9794 7.6985 118.7815 57.5407 41.5876 179.2513 52 L 3.8449 7.9754 120.3196 58.3281 41.9957 179.1581 53 L 3.9034 8.1125 119.1595 57.7822 41.4421 179.3238 54 N 4.3535 8.3955 116.7089 56.2020 38.2993 177.4593 55 S 4.0608 8.0859 114.7647 61.1567 62.4132 176.2750 56 V 3.4534 7.8334 121.2589 65.8071 31.2443 177.9206 57 K 3.8843 8.2521 119.2179 59.3349 32.0435 178.4107 58 A 3.9735 8.1718 120.8985 55.3111 18.1032 179.4177 59 A 3.5361 7.6964 117.6804 55.0403 18.6230 179.2142 60 F 4.1860 8.3194 119.4744 61.4396 39.3587 177.5364 61 G 3.9790 8.3742 105.3213 48.0364 0.0000 175.7881 62 K 4.2676 8.2435 120.6269 58.9665 32.0277 179.2021 63 L 4.3010 8.0334 118.6544 56.9705 41.5253 178.2688 64 F 4.5025 8.4489 116.8365 56.6342 39.0121 174.6480 65 Y 4.3339 7.6740 121.5561 59.0757 38.9982 176.6947 66 G 3.5650 8.4162 114.3767 45.9617 0.0000 175.0269 67 A 4.4462 7.9111 123.6161 54.7470 18.2694 179.5702 68 E 3.8205 8.0622 116.6655 59.4664 29.5207 179.2346 69 Q 3.3762 7.6352 119.0006 58.9973 29.0657 178.3399 70 R 3.9234 7.6753 118.8153 59.0814 30.0847 178.8594 71 A 4.0405 8.0224 120.6355 55.3395 18.4038 179.8946 72 R 3.8094 7.9640 116.6726 59.2486 29.8876 179.4148 73 W 4.5565 7.9782 117.6075 59.2316 29.0963 177.3031 74 N 4.7768 7.8426 114.0534 52.8745 38.3106 175.9653 75 G 3.9223 7.9983 108.8753 45.5641 0.0000 174.1156 76 R 4.1965 7.4712 118.0804 55.4262 30.9733 175.7126 77 D 4.9354 8.3925 118.2104 53.5758 41.6637 175.2353 78 F 5.2244 7.0175 110.3240 55.1161 41.2586 173.3701 79 I 4.3993 9.1303 121.4867 60.7497 38.5423 175.4237 80 A 5.1155 9.0628 128.6909 49.9748 21.7223 177.4304 81 L 3.8808 8.8196 120.4233 58.3284 42.1511 179.3152 82 A 4.1185 8.0525 119.5028 54.8384 18.6618 177.7383 83 D 4.5743 8.0608 114.8299 55.4353 41.4292 176.8625 84 L 4.4861 7.4940 119.1458 54.3454 42.2537 175.4550 85 N 4.7950 8.8151 117.5000 54.0701 39.1827 175.4169 86 I 4.0372 7.7106 118.2751 60.7996 38.1211 176.9925 87 T 4.3803 8.1586 115.8870 60.4890 71.5871 175.8178 88 K 3.8400 8.5108 120.5850 59.6038 31.8618 179.3660 89 A 3.9002 7.8305 120.3524 55.1533 18.3449 179.3116 90 L 3.9843 7.6719 118.6405 58.2808 42.0797 178.6938 91 E 3.9455 8.4310 118.8505 59.5603 29.3167 179.1242 92 E 3.8859 8.1443 118.9843 59.6649 29.6792 178.5208 93 H 4.2062 7.8890 116.2767 58.9451 28.7315 177.8849 94 I 3.7760 8.1777 121.8456 64.3726 36.7565 178.5709 95 K 3.9884 8.0658 118.1215 59.6795 31.9171 178.8155 96 N 4.4924 8.4890 116.8799 56.2123 38.4536 177.1987 97 F 4.1869 8.5684 122.2667 61.5147 39.2868 177.2723 98 Q 3.8800 8.0438 116.5962 57.9685 28.5266 177.7833 99 K 4.2872 7.3295 117.4830 56.0519 33.2823 176.5895 100 I 4.0297 6.8356 122.1969 61.0851 37.8169 175.7388 101 E 4.1223 8.7053 124.8648 58.5701 30.0550 177.3477 102 Q 4.0078 7.8374 118.7443 55.9944 29.6005 175.2670 103 D 4.4891 8.3901 124.4063 53.7034 42.5269 176.0498 *105 G 3.9870 8.3491 106.9555 43.9668 0.0000 174.8106 106 V 3.6231 7.9295 121.3071 66.0319 30.8733 177.7503 107 D 4.4422 8.1419 118.0864 57.4858 40.5366 178.4781 108 E 4.1338 8.1687 118.6469 59.3132 29.5986 179.1614 109 L 4.1602 8.4715 119.6312 57.3714 41.4022 179.1940 110 L 4.0181 8.1408 120.2140 58.2631 42.2455 178.3828 111 E 4.1302 7.9871 118.2595 59.3475 29.3436 177.9668 112 Y 4.0881 8.1193 118.9827 60.7741 39.0174 178.0667 113 I 3.7616 8.1415 111.7381 61.2562 38.9170 175.3652 114 A 3.6925 7.5410 123.1737 53.0899 16.1806 177.1600 115 F 4.2459 7.8707 122.5049 57.7197 40.5399 174.3994 116 I 3.8970 7.1105 127.8081 58.1779 39.0696 173.5200 117 P 3.4077 0.0000 0.0000 61.5966 32.0643 175.3262 118 P 4.4736 0.0000 0.0000 62.0501 30.3158 175.5300 119 V 4.5414 6.7546 110.1615 60.5623 36.2218 175.3942 120 E 4.3370 8.7213 119.6347 56.5422 29.8890 176.2696 *122 N 4.5318 7.9070 116.2697 53.5644 40.8500 172.8506 123 V 4.6431 8.3939 125.4134 61.2133 32.9762 175.7654 124 G 3.6574 9.2449 115.7571 46.3527 0.0000 174.4630 125 E 4.0112 8.7187 122.0094 59.2570 29.2707 179.5726 126 D 4.3279 7.8654 117.9032 56.9996 41.1766 178.0921 127 L 4.1782 7.8621 120.5140 58.1281 42.2754 178.6827 128 K 2.7248 7.9925 118.4843 59.5666 31.7564 179.3506 129 S 4.2368 8.0188 113.7722 60.8848 63.0045 175.5642 130 E 4.4796 8.4714 120.3621 56.9942 29.3481 177.6456 131 Y 4.6527 8.0509 118.0016 61.1513 38.0012 178.2704 132 R 4.1465 8.1409 116.0583 59.4024 29.8941 178.2932 133 N 4.7483 8.2294 116.7455 55.9884 38.5758 177.4760 134 I 3.8469 7.6281 117.2280 62.2149 36.6926 177.9376 *136 G 2.1493 8.0817 111.3868 44.9366 0.0000 176.0195 137 G 3.5750 7.7316 105.9826 47.5615 0.0000 175.4991 138 L 4.1254 7.6468 120.5166 57.3188 41.8167 179.3496 139 L 4.2387 7.6210 118.5522 57.5832 41.7226 180.2034 140 L 4.3447 7.7454 117.6733 55.3873 41.4980 178.9279 *142 H 4.5928 8.2458 117.9412 55.8942 30.9780 175.6820 143 A 4.0579 8.2783 121.0844 55.1349 18.0195 179.1768 144 D 4.2142 8.0020 116.4026 57.5575 41.3689 178.7473 145 V 3.5836 7.6858 118.2361 65.8544 31.6310 177.6877 146 I 3.7532 8.1416 120.0304 64.6241 36.8107 178.5828 147 K 4.0357 7.8434 117.6406 59.1722 31.9578 179.0115 148 K 4.2497 8.0535 116.6254 57.5170 32.3131 177.9125 149 A 4.7730 8.0815 119.6441 52.6936 20.8376 177.2938 150 T 4.0838 8.1535 106.9716 62.4016 69.5343 176.3937 151 G 3.9193 8.3582 107.3708 45.3533 0.0000 172.4709 152 E 4.6313 7.7381 118.8803 53.9582 32.2386 176.0215 153 R 3.9420 8.8326 124.4898 58.3783 30.3411 175.0121 154 K 4.7635 7.4738 118.3521 52.4740 31.6490 172.7380 155 P 4.5463 0.0000 0.0000 62.0195 31.9758 176.8936 156 S 4.4597 8.8891 117.7896 57.4040 64.1057 174.4143 157 R 4.0666 8.7052 120.6711 59.7241 29.9488 177.4448 158 E 4.0746 8.3376 116.4831 59.4769 29.8319 179.3483 159 A 4.2019 8.1642 117.6529 53.3944 18.3238 178.6726 *161 E 4.3281 8.2148 120.2644 57.6896 31.7681 178.2179 162 F 4.3197 8.5192 120.3854 61.1391 39.2801 177.2310 163 V 3.3276 8.0061 117.7039 66.0273 31.3494 177.7111 164 A 4.0572 7.9273 121.1269 54.6181 17.9364 179.4033 165 Q 3.9311 7.6714 115.1974 59.2037 29.1352 178.9439 166 I 3.7721 7.4346 113.8868 63.4859 37.6232 178.4379 167 V 3.6550 7.9148 120.4847 66.0085 30.9011 177.2398 168 D 4.4454 8.1720 117.7358 57.4647 40.7246 177.7900 169 K 4.3628 7.5391 114.3957 57.0729 32.3027 177.6392 170 V 4.2074 7.7169 111.5523 60.8380 32.7413 175.8077 171 F 4.2849 7.8315 123.3967 57.4977 39.0918 175.1685 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 21 E 8.43 4.47 0.00 1.99 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 2.23 2.28 0.00 22 T 8.55 3.98 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 1.21 0.00 0.00 *24 L 9.26 4.22 0.00 1.66 1.78 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.31 3.71 0.00 1.76 1.81 0.00 3.32 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 26 P 0.00 4.03 0.00 0.49 1.48 0.00 2.90 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.83 0.00 27 K 8.24 4.03 0.00 1.73 1.77 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 28 G 9.15 4.28 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 29 F 8.46 3.99 0.00 3.00 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 30 D 8.09 4.50 0.00 2.99 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 31 K 8.04 4.06 0.00 2.00 2.12 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.53 7.81 32 L 8.30 4.01 0.00 1.75 1.64 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.75 4.28 0.00 2.83 2.99 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 34 H 8.54 4.08 0.00 3.45 3.38 0.00 5.84 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 35 Y 8.51 4.01 0.00 3.35 3.32 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 36 F 9.19 3.99 0.00 3.17 3.32 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 37 R 8.40 4.08 0.00 1.92 1.89 0.00 3.12 0.00 0.00 3.31 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 38 T 7.64 3.89 4.16 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 1.08 0.00 0.00 39 E 7.82 4.16 0.00 1.16 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 1.80 1.89 0.00 40 L 7.34 4.36 0.00 1.42 1.38 0.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.61 4.48 0.00 2.83 2.74 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 0.00 0.00 0.00 42 I 7.96 4.66 2.08 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 1.16 1.39 1.10 0.00 0.00 43 D 9.27 4.75 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 4.66 0.00 1.48 1.45 0.28 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.42 4.68 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 46 D 8.81 4.48 0.00 2.77 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 47 E 8.23 3.97 0.00 2.05 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 2.39 2.40 0.00 48 T 7.85 4.03 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 1.26 0.00 0.00 49 I 8.04 3.36 1.52 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.49 -0.37 0.00 0.00 50 E 8.14 4.01 0.00 2.22 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 2.68 2.65 0.00 51 L 7.70 3.98 0.00 1.78 1.72 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.98 3.84 0.00 1.71 1.74 0.87 0.19 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 53 L 8.11 3.90 0.00 1.73 1.76 0.74 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.40 4.35 0.00 2.88 2.88 0.00 0.00 6.59 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 55 S 8.09 4.06 0.00 3.92 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 56 V 7.83 3.45 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 0.88 0.00 0.00 0.68 0.00 0.00 57 K 8.25 3.88 0.00 1.98 2.04 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.65 7.81 58 A 8.17 3.97 1.39 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 0.00 0.00 59 A 7.70 3.54 0.54 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 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.32 4.19 0.00 2.88 2.45 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 61 G 8.37 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 62 K 8.24 4.27 0.00 2.07 2.04 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.71 7.81 63 L 8.03 4.30 0.00 1.95 1.68 0.71 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.45 4.50 0.00 3.45 3.19 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 65 Y 7.67 4.33 0.00 3.00 3.07 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 66 G 8.42 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 0.00 67 A 7.91 4.45 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 68 E 8.06 3.82 0.00 1.92 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 2.38 0.00 69 Q 7.64 3.38 0.00 1.67 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.00 70 R 7.68 3.92 0.00 1.86 2.00 0.00 3.42 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 71 A 8.02 4.04 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 72 R 7.96 3.81 0.00 1.71 1.88 0.00 3.05 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 73 W 7.98 4.56 0.00 3.54 3.07 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 74 N 7.84 4.78 0.00 2.79 2.83 0.00 0.00 7.08 8.77 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 75 G 8.00 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 76 R 7.47 4.20 0.00 1.71 1.25 0.00 2.21 0.00 0.00 2.77 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 77 D 8.39 4.94 0.00 2.61 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 78 F 7.02 5.22 0.00 3.22 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 79 I 9.13 4.40 2.13 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 1.25 0.68 1.03 0.00 0.00 80 A 9.06 5.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.82 3.88 0.00 1.81 1.75 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.05 4.12 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 83 D 8.06 4.57 0.00 2.87 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 84 L 7.49 4.49 0.00 1.68 1.46 0.79 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.82 4.80 0.00 2.99 2.93 0.00 0.00 7.20 7.84 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 86 I 7.71 4.04 1.87 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 1.47 0.63 0.92 0.00 0.00 87 T 8.16 4.38 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 1.10 0.00 0.00 88 K 8.51 3.84 0.00 1.76 1.89 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.45 7.81 89 A 7.83 3.90 1.25 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 0.00 0.00 90 L 7.67 3.98 0.00 1.75 1.82 0.98 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.43 3.95 0.00 2.21 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 2.35 2.34 0.00 92 E 8.14 3.89 0.00 2.01 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 2.24 2.32 0.00 93 H 7.89 4.21 0.00 3.41 3.52 0.00 5.87 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 94 I 8.18 3.78 2.05 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 1.64 0.81 0.97 0.00 0.00 95 K 8.07 3.99 0.00 1.89 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.64 7.81 96 N 8.49 4.49 0.00 2.94 2.92 0.00 0.00 6.68 8.66 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 97 F 8.57 4.19 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 98 Q 8.04 3.88 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 99 K 7.33 4.29 0.00 1.86 1.88 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.68 1.45 7.81 100 I 6.84 4.03 1.62 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 0.81 0.00 0.00 101 E 8.71 4.12 0.00 1.95 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 2.24 2.27 0.00 102 Q 7.84 4.01 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.04 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 103 D 8.39 4.49 0.00 2.69 2.59 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 *105 G 8.35 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 0.00 106 V 7.93 3.62 2.23 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 1.12 0.00 0.00 0.92 0.00 0.00 107 D 8.14 4.44 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 4.13 0.00 2.23 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 2.44 2.50 0.00 109 L 8.47 4.16 0.00 1.81 1.74 0.85 0.38 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 0.00 110 L 8.14 4.02 0.00 1.94 1.81 1.15 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 111 E 7.99 4.13 0.00 2.18 2.02 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 2.35 2.36 0.00 112 Y 8.12 4.09 0.00 3.17 3.31 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 0.00 113 I 8.14 3.76 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.86 1.12 0.00 0.00 114 A 7.54 3.69 1.24 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 0.00 0.00 115 F 7.87 4.25 0.00 2.76 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 0.00 116 I 7.11 3.90 1.56 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.66 0.00 0.00 117 P 0.00 3.41 0.00 0.91 0.49 0.00 3.26 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 118 P 0.00 4.47 0.00 2.18 2.07 0.00 3.41 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 119 V 6.75 4.54 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 0.87 0.00 0.00 0.81 0.00 0.00 120 E 8.72 4.34 0.00 1.92 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 2.25 2.34 0.00 *122 N 7.91 4.53 0.00 2.93 2.86 0.00 0.00 6.62 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 0.00 123 V 8.39 4.64 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 1.11 0.00 0.00 1.11 0.00 0.00 124 G 9.24 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.72 4.01 0.00 1.88 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 2.32 2.28 0.00 126 D 7.87 4.33 0.00 2.64 2.74 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 0.00 0.00 0.00 127 L 7.86 4.18 0.00 1.89 1.95 1.17 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.99 2.72 0.00 1.77 1.58 0.00 0.96 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 1.48 7.81 129 S 8.02 4.24 0.00 4.02 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 0.00 130 E 8.47 4.48 0.00 2.26 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 2.50 2.56 0.00 131 Y 8.05 4.65 0.00 3.11 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 0.00 132 R 8.14 4.15 0.00 2.09 2.19 0.00 3.12 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 133 N 8.23 4.75 0.00 3.08 3.03 0.00 0.00 7.15 7.39 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 0.00 134 I 7.63 3.85 1.65 0.00 0.00 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 1.35 0.71 -0.06 0.00 0.00 *136 G 8.08 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 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.73 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 0.00 138 L 7.65 4.13 0.00 1.37 1.58 0.33 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.62 4.24 0.00 1.79 1.87 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.75 4.34 0.00 1.88 1.74 1.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 *142 H 8.25 4.59 0.00 3.48 3.47 0.00 5.82 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 0.00 143 A 8.28 4.06 1.04 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 0.00 0.00 144 D 8.00 4.21 0.00 2.85 2.66 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 0.00 0.00 0.00 0.00 145 V 7.69 3.58 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 0.94 0.00 0.00 0.88 0.00 0.00 146 I 8.14 3.75 2.10 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.94 0.98 0.00 0.00 147 K 7.84 4.04 0.00 1.86 1.87 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.61 7.81 148 K 8.05 4.25 0.00 1.86 1.87 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.45 7.81 149 A 8.08 4.77 1.47 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 0.00 0.00 150 T 8.15 4.08 4.30 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 1.37 0.00 0.00 151 G 8.36 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 0.00 152 E 7.74 4.63 0.00 1.91 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 2.23 2.21 0.00 153 R 8.83 3.94 0.00 1.84 1.94 0.00 3.13 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 154 K 7.47 4.76 0.00 1.74 1.71 0.00 1.84 0.00 0.00 1.14 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.57 7.81 155 P 0.00 4.55 0.00 2.12 2.02 0.00 3.96 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 156 S 8.89 4.46 0.00 3.98 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 0.00 157 R 8.71 4.07 0.00 1.81 2.03 0.00 3.33 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 158 E 8.34 4.07 0.00 2.05 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 2.41 2.26 0.00 159 A 8.16 4.20 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 *161 E 8.21 4.33 0.00 2.30 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 0.00 2.33 2.52 0.00 162 F 8.52 4.32 0.00 3.08 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 0.00 163 V 8.01 3.33 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 1.04 0.00 0.00 1.03 0.00 0.00 164 A 7.93 4.06 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 0.00 165 Q 7.67 3.93 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 166 I 7.43 3.77 1.65 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 0.29 0.00 0.00 167 V 7.91 3.65 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 1.04 0.00 0.00 0.82 0.00 0.00 168 D 8.17 4.45 0.00 2.90 2.90 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 0.00 169 K 7.54 4.36 0.00 1.93 1.81 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.60 7.81 170 V 7.72 4.21 1.83 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 0.62 0.00 0.00 0.86 0.00 0.00 171 F 7.83 4.28 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.