NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.0083 8.4181 114.6898 58.4107 64.7599 175.5608 2 V 3.4881 7.9512 120.9200 64.2682 30.6308 173.4590 3 V 3.5654 8.5099 119.6719 65.9811 32.1148 178.9608 4 E 4.0304 8.0064 117.8402 59.1445 29.2257 179.0352 5 L 4.0847 8.2636 120.6522 58.0445 42.2102 179.0091 6 G 3.7710 7.9158 105.1922 48.1397 0.0000 175.7257 7 K 4.1273 7.9435 121.1525 59.0854 31.9904 179.4752 8 M 4.0717 7.9702 118.8072 58.4261 31.9401 178.4818 9 I 3.5942 8.1054 120.2360 64.6813 37.2237 178.2604 10 I 4.0895 8.2637 121.8631 64.1463 36.7704 178.5478 11 Q 4.0669 8.2960 117.6227 58.4982 28.6417 178.1183 12 E 4.1779 8.6388 119.4941 59.1388 29.9109 178.4661 13 T 4.2985 8.4546 108.0349 61.6396 69.9784 176.0458 14 G 3.8002 7.7032 109.5991 45.5271 0.0000 172.9716 *16 K 4.6738 7.8057 117.9087 56.1593 33.3637 174.7455 17 S 4.7415 8.2331 116.0105 56.4668 64.7909 173.0876 18 P 4.4335 0.0000 0.0000 65.3241 31.2974 175.6062 19 F 5.2048 8.4693 118.2070 55.3193 40.4965 173.0554 20 P 4.4244 0.0000 0.0000 62.3824 31.4154 176.3487 21 S 4.3879 7.5676 116.7551 61.0847 62.9648 174.9087 22 Y 5.0481 8.8937 115.6272 58.0934 40.1466 177.1754 23 T 4.2333 8.3502 109.5793 63.8757 68.7416 175.4187 24 S 4.9041 7.8970 114.9468 58.5685 64.0062 172.8728 25 Y 4.2919 8.7486 123.7399 58.9469 39.5222 175.7359 26 G 3.4328 8.2951 117.5014 46.9405 0.0000 172.6785 27 C 4.1969 8.6791 114.1233 58.2094 35.3339 174.9167 28 F 4.6972 8.7799 116.2266 56.3321 40.9027 175.0784 29 C 4.5519 7.9846 119.3640 60.7343 28.2643 174.4090 30 G 4.0236 8.5778 112.3921 45.2739 0.0000 172.7477 31 G 4.3688 8.1154 105.6968 43.2660 0.0000 171.4617 32 G 4.4608 7.6878 106.1750 44.3041 0.0000 173.7011 33 E 4.7682 8.7311 120.0974 55.9380 33.0327 175.7906 34 R 4.8266 7.9171 117.6692 53.8516 32.0422 176.5839 35 G 4.4395 8.3441 109.2703 45.4705 0.0000 172.3480 36 P 4.9942 0.0000 0.0000 61.4156 32.0279 174.6879 37 P 4.8146 0.0000 0.0000 63.1270 31.7886 176.4900 38 L 3.8533 9.1842 120.9830 57.3556 42.0509 176.3892 39 D 4.5422 7.4573 115.1052 51.5938 41.8331 174.9172 40 A 3.9776 8.8381 119.5743 56.0996 18.0597 180.0203 41 T 3.7722 7.9743 113.5978 66.8890 68.6381 176.1977 42 D 4.5186 9.3232 120.2486 57.6049 41.2703 178.5626 43 R 3.8354 8.4030 118.7471 59.0997 29.9622 178.7892 44 C 4.1098 7.8660 116.7560 63.0290 28.0092 175.8717 45 C 4.1931 7.8675 118.3122 62.3242 27.6005 175.9183 46 L 3.6372 7.6715 122.0693 57.9141 41.5087 178.8789 47 A 3.8942 7.9616 120.7695 55.2092 18.2234 179.1667 48 H 4.0133 8.0295 116.9748 59.2108 30.0451 177.4281 49 S 3.9411 8.1284 115.1594 61.6133 62.0518 175.8593 50 C 4.1125 8.0237 118.2396 63.0210 28.2201 175.3242 51 C 4.2437 8.4150 120.5372 62.8480 31.1378 175.2352 52 Y 4.2653 8.2251 118.2753 61.2173 37.2527 178.1192 53 D 4.6099 7.9341 118.1216 56.3627 40.9050 177.5962 54 T 4.4481 7.5327 109.4355 61.2692 69.9126 174.7261 55 L 4.9923 7.7737 120.3945 53.7678 42.2923 175.7268 56 P 4.2246 0.0000 0.0000 65.4128 32.1235 177.7450 *59 D 4.8065 7.8903 117.4944 53.3765 40.8586 174.4604 *61 C 5.0641 7.5060 116.6635 60.6592 29.6883 173.3744 *67 S 5.1007 7.8538 113.6870 57.8351 62.8530 172.7521 68 P 3.8526 0.0000 0.0000 65.4136 31.6749 178.3972 69 K 4.3087 8.0533 116.8134 58.5944 32.2174 178.2500 70 T 4.4478 7.7930 105.2170 60.8659 69.6637 173.0783 71 D 4.6304 8.1355 123.2189 52.7512 40.8677 176.1698 72 R 4.2573 8.3165 123.7441 56.4543 30.1859 175.0243 73 Y 4.9131 7.6219 116.1504 56.2748 40.9784 173.0309 74 K 4.9284 8.9860 118.7787 55.1674 35.8377 175.0649 75 Y 5.0719 7.8202 116.9756 56.4825 40.5666 173.2226 76 K 4.7980 9.2429 120.1668 54.7428 36.7424 174.8756 77 R 5.2719 8.5304 119.1132 54.7287 32.9966 175.6567 78 E 4.5383 8.7523 122.7486 55.7369 32.8670 175.5676 79 N 4.1259 9.9268 119.8628 54.3541 36.1611 174.9418 80 G 3.9145 8.5698 103.5445 45.6173 0.0000 173.2647 81 E 4.8062 7.8936 119.7929 53.7407 33.0296 175.1910 82 I 4.4930 8.3245 125.7860 61.3964 38.2505 175.4695 83 I 4.5397 9.1899 127.1861 59.6596 40.0318 174.8944 84 C 4.7952 8.7862 125.2182 59.4675 28.9431 173.6683 85 E 4.4700 8.3475 119.2196 55.3261 32.1229 176.5189 86 N 4.7637 8.3138 116.2085 52.8846 39.4466 175.4585 87 S 4.2975 8.9335 114.1631 60.5012 63.0024 174.3137 88 T 4.7104 7.4512 109.3753 58.7469 71.7614 174.6238 89 S 3.9134 8.4656 116.5001 61.5593 62.8675 175.6788 *91 C 4.4475 7.9684 116.7105 59.7508 30.0414 175.7151 92 K 3.7035 8.0050 118.7711 59.6508 31.6144 179.1714 93 K 3.9794 7.6392 120.7268 59.2002 32.3361 179.2057 94 R 3.8924 8.1833 118.6447 59.0757 29.9114 179.1552 95 I 3.5537 8.4314 120.7594 64.5845 37.1112 177.7847 96 C 3.5541 7.2349 120.6217 61.7730 31.1538 175.5876 97 E 3.9178 8.1365 119.8942 59.3873 29.0145 179.0583 98 C 4.1638 7.9180 116.5337 63.0472 28.3160 175.9412 99 D 4.3992 8.2034 120.3356 57.2584 40.4577 178.6580 100 K 3.7625 8.3929 120.2903 59.4177 32.1167 178.5309 101 A 3.9616 8.0473 121.1110 55.1483 18.3406 180.0245 102 V 3.4505 7.7209 117.3713 64.8692 31.3708 178.3366 103 A 3.8343 7.9406 121.6387 54.7862 18.1152 179.8184 104 V 3.4703 7.7698 116.6992 66.2169 31.7245 177.8763 105 C 4.0736 8.1946 118.5420 62.2247 31.1447 175.5377 106 L 3.8999 8.1336 120.0665 57.6968 41.5151 179.0634 107 R 4.0169 8.1108 118.7922 59.5081 29.8478 178.3657 108 K 3.9638 8.0529 117.9118 58.9069 32.2094 177.3350 109 N 5.1402 7.5961 115.7900 52.3395 38.9293 176.5607 110 L 4.0815 8.0063 124.1748 57.7418 41.3994 179.0280 111 N 4.4918 8.3726 115.9100 55.0125 37.4235 176.0761 112 T 4.5727 7.9774 107.4084 61.0358 69.3357 173.2012 113 Y 3.9407 8.0299 124.5265 58.3500 39.1633 174.4451 114 N 4.7589 9.4193 127.2029 51.3673 40.1340 174.8813 115 K 3.9431 8.6378 127.4621 59.7055 32.3288 178.5524 116 K 2.9236 7.8788 118.3041 58.6677 31.8620 177.9508 117 Y 4.5651 7.1325 115.4956 59.1394 37.5543 176.9924 118 T 4.4972 7.3868 117.1134 64.8185 69.7572 174.5619 119 Y 4.7702 7.1138 119.4888 55.5099 38.0465 174.2622 120 Y 3.8985 7.5629 117.1476 56.4642 39.5331 174.3120 121 P 3.5964 0.0000 0.0000 62.4955 31.7856 177.3770 122 N 4.2105 7.9406 118.4415 55.1373 38.6013 176.4333 *124 F 5.2252 7.7487 111.7892 56.0614 39.5128 174.7327 125 W 4.9541 7.7682 121.3182 56.3767 30.6604 174.6323 126 C 4.3107 8.7369 113.4940 59.0847 36.6736 174.1361 127 K 4.6257 8.1514 113.1977 56.0983 33.4542 177.2596 128 G 4.1609 7.6983 108.1256 45.2418 0.0000 173.8992 129 D 4.7472 8.6902 118.8710 54.6464 42.3586 175.9374 130 I 4.6565 8.0648 121.2734 60.1465 37.8525 176.0035 131 E 4.1805 9.0342 127.0720 56.4359 30.0440 176.7210 132 K 4.4511 8.4779 122.8204 55.3565 33.8222 176.6216 133 C 4.2650 8.4972 118.5837 60.1529 28.1696 173.6869 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 S 8.42 5.01 0.00 4.22 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 0.00 2 V 7.95 3.49 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 0.71 0.00 0.00 1.03 0.00 0.00 3 V 8.51 3.57 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 1.04 0.00 0.00 0.93 0.00 0.00 4 E 8.01 4.03 0.00 1.78 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 1.58 2.20 0.00 5 L 8.26 4.08 0.00 2.06 1.91 0.86 0.87 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 6 G 7.92 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.94 4.13 0.00 2.02 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.74 7.81 8 M 7.97 4.07 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.15 0.00 9 I 8.11 3.59 2.07 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.81 0.97 0.00 0.00 10 I 8.26 4.09 2.08 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 1.59 1.94 0.95 0.00 0.00 11 Q 8.30 4.07 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 12 E 8.64 4.18 0.00 1.90 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 2.47 2.40 0.00 13 T 8.45 4.30 4.32 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 1.21 0.00 0.00 14 G 7.70 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.81 4.67 0.00 1.96 1.69 0.00 1.31 0.00 0.00 1.11 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.25 7.81 17 S 8.23 4.74 0.00 4.08 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 18 P 0.00 4.43 0.00 2.34 2.32 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 19 F 8.47 5.20 0.00 3.03 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 20 P 0.00 4.42 0.00 1.83 0.68 0.00 3.56 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 21 S 7.57 4.39 0.00 3.96 3.44 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 0.00 0.00 0.00 0.00 22 Y 8.89 5.05 0.00 3.08 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 23 T 8.35 4.23 4.45 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 1.40 0.00 0.00 24 S 7.90 4.90 0.00 4.06 4.04 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 25 Y 8.75 4.29 0.00 3.28 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 26 G 8.30 3.43 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 0.00 27 C 8.68 4.20 0.00 2.44 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 28 F 8.78 4.70 0.00 3.19 3.08 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 29 C 7.98 4.55 0.00 3.47 3.22 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 30 G 8.58 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 31 G 8.12 4.37 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 0.00 32 G 7.69 4.46 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 0.00 33 E 8.73 4.77 0.00 1.91 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 2.33 0.00 34 R 7.92 4.83 0.00 1.74 1.94 0.00 3.17 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 35 G 8.34 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.99 0.00 2.13 2.04 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 37 P 0.00 4.81 0.00 2.15 1.93 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 38 L 9.18 3.85 0.00 1.15 0.78 0.07 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.46 4.54 0.00 2.99 2.97 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 40 A 8.84 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.77 4.33 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 0.74 0.00 0.00 42 D 9.32 4.52 0.00 3.07 2.86 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 0.00 0.00 0.00 43 R 8.40 3.84 0.00 1.99 1.87 0.00 3.12 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.89 0.00 44 C 7.87 4.11 0.00 3.05 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 45 C 7.87 4.19 0.00 3.20 3.20 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 0.00 0.00 0.00 46 L 7.67 3.64 0.00 0.56 1.39 0.39 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.96 3.89 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 48 H 8.03 4.01 0.00 3.24 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.13 3.94 0.00 4.06 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 0.00 50 C 8.02 4.11 0.00 3.10 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 51 C 8.42 4.24 0.00 3.13 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 Y 8.23 4.27 0.00 3.14 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 53 D 7.93 4.61 0.00 2.92 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 54 T 7.53 4.45 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 1.26 0.00 0.00 55 L 7.77 4.99 0.00 1.58 1.56 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.22 0.00 2.21 2.31 0.00 3.80 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 *59 D 7.89 4.81 0.00 2.86 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 *61 C 7.51 5.06 0.00 2.95 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 *67 S 7.85 5.10 0.00 3.89 3.85 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 68 P 0.00 3.85 0.00 1.22 0.49 0.00 3.54 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 69 K 8.05 4.31 0.00 1.88 1.95 0.00 1.72 0.00 0.00 2.03 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.84 1.63 7.81 70 T 7.79 4.45 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 1.23 0.00 0.00 71 D 8.14 4.63 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.32 4.26 0.00 1.92 1.84 0.00 3.08 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 73 Y 7.62 4.91 0.00 3.37 3.14 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 74 K 8.99 4.93 0.00 1.79 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.37 7.81 75 Y 7.82 5.07 0.00 3.13 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 76 K 9.24 4.80 0.00 1.73 1.77 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.40 7.81 77 R 8.53 5.27 0.00 1.70 1.87 0.00 3.30 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 78 E 8.75 4.54 0.00 2.00 1.81 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 2.23 2.28 0.00 79 N 9.93 4.13 0.00 2.88 2.90 0.00 0.00 7.19 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 80 G 8.57 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 0.00 0.00 0.00 81 E 7.89 4.81 0.00 2.04 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 2.18 2.24 0.00 82 I 8.32 4.49 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.67 0.00 0.00 83 I 9.19 4.54 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.31 0.94 0.00 0.00 84 C 8.79 4.80 0.00 2.87 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 85 E 8.35 4.47 0.00 2.14 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 2.73 2.25 0.00 86 N 8.31 4.76 0.00 2.64 2.75 0.00 0.00 6.89 7.63 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 87 S 8.93 4.30 0.00 4.01 4.09 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 88 T 7.45 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 1.22 0.00 0.00 89 S 8.47 3.91 0.00 3.86 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 *91 C 7.97 4.45 0.00 3.04 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 92 K 8.00 3.70 0.00 1.97 2.04 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.52 7.81 93 K 7.64 3.98 0.00 1.84 1.95 0.00 1.50 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.33 7.81 94 R 8.18 3.89 0.00 1.81 1.92 0.00 3.16 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 95 I 8.43 3.55 1.71 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.78 0.93 0.00 0.00 96 C 7.23 3.55 0.00 1.73 2.71 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 0.00 0.00 0.00 97 E 8.14 3.92 0.00 2.14 1.95 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 2.44 2.45 0.00 98 C 7.92 4.16 0.00 3.47 3.17 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 99 D 8.20 4.40 0.00 2.95 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 0.00 100 K 8.39 3.76 0.00 1.72 1.95 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.38 7.81 101 A 8.05 3.96 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 0.00 102 V 7.72 3.45 1.95 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 0.63 0.00 0.00 0.76 0.00 0.00 103 A 7.94 3.83 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 0.00 104 V 7.77 3.47 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 1.03 0.00 0.00 0.92 0.00 0.00 105 C 8.19 4.07 0.00 3.12 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 0.00 106 L 8.13 3.90 0.00 1.60 1.51 0.12 0.60 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 0.00 107 R 8.11 4.02 0.00 1.91 2.05 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 108 K 8.05 3.96 0.00 1.81 2.07 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 109 N 7.60 5.14 0.00 2.91 2.83 0.00 0.00 6.93 6.08 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 0.00 110 L 8.01 4.08 0.00 1.79 1.74 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.37 4.49 0.00 2.89 3.11 0.00 0.00 5.81 7.22 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 0.00 112 T 7.98 4.57 4.31 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 1.25 0.00 0.00 113 Y 8.03 3.94 0.00 3.14 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 0.00 114 N 9.42 4.76 0.00 2.31 1.81 0.00 0.00 6.38 5.12 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 0.00 115 K 8.64 3.94 0.00 2.04 1.82 0.00 1.85 0.00 0.00 1.98 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.80 7.81 116 K 7.88 2.92 0.00 1.61 1.44 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.30 7.81 117 Y 7.13 4.57 0.00 1.97 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 0.00 0.00 0.00 118 T 7.39 4.50 4.60 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 1.47 0.00 0.00 119 Y 7.11 4.77 0.00 2.91 2.80 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 0.00 0.00 0.00 120 Y 7.56 3.90 0.00 2.67 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 0.00 121 P 0.00 3.60 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.35 0.00 122 N 7.94 4.21 0.00 2.58 2.76 0.00 0.00 6.81 8.13 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 *124 F 7.75 5.23 0.00 3.16 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 0.00 125 W 7.77 4.95 0.00 3.59 3.01 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 0.00 0.00 0.00 126 C 8.74 4.31 0.00 3.17 3.22 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 0.00 127 K 8.15 4.63 0.00 1.78 1.81 0.00 2.02 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.74 7.81 128 G 7.70 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 0.00 0.00 0.00 0.00 129 D 8.69 4.75 0.00 2.63 2.63 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 0.00 130 I 8.06 4.66 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.97 0.00 0.00 131 E 9.03 4.18 0.00 1.87 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 0.00 2.51 2.26 0.00 132 K 8.48 4.45 0.00 1.73 1.72 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.39 7.81 133 C 8.50 4.26 0.00 2.95 2.82 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 * Residues marked with a * may have inaccurate shift predictions.