NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3432 8.2033 118.8249 56.3467 31.1994 175.2996 3 E 3.9186 7.8122 114.5358 55.1889 30.3000 175.6388 *5 E 4.2635 8.4892 122.0248 56.3243 32.5496 176.9083 6 D 4.4314 7.8026 116.4016 57.0774 41.1691 177.9713 7 L 3.9705 8.0266 120.9879 58.1846 42.2138 178.9934 8 L 4.0030 7.8857 118.4751 57.8931 41.6424 178.7635 9 Y 3.9779 8.2009 119.4864 60.7812 38.7410 178.0819 10 R 3.8839 8.2726 119.0995 59.1581 30.1138 178.8130 11 L 3.9362 7.9461 120.2527 57.8061 42.1505 179.0012 12 K 3.8214 7.6975 119.5096 59.4533 32.1465 179.0338 13 V 3.4129 7.3856 118.2738 65.6922 31.3847 177.8035 14 A 3.9187 8.0753 120.6681 55.1813 18.2105 179.0032 15 D 4.2381 8.1136 116.5296 57.5706 41.1624 178.1392 16 E 3.9370 8.0335 119.4634 59.5108 29.6209 179.0120 17 T 3.8982 7.9004 115.7967 66.5499 68.4682 176.7500 18 I 3.7253 8.1860 122.3480 64.4904 37.2728 178.5597 19 S 4.1262 8.3971 115.3363 61.5683 62.8084 176.3295 20 N 4.3304 7.9657 120.1630 56.0438 38.3929 177.2943 21 L 3.9989 7.9870 120.3362 57.7533 41.6884 179.4332 22 F 3.8063 8.5416 120.7202 61.3698 39.5293 176.8746 23 E 4.3310 8.2189 120.0491 58.7010 29.1702 178.9336 24 K 4.0357 7.8232 117.7120 59.4148 32.1966 178.9718 25 Q 4.2208 7.8573 117.2825 57.8149 29.0089 177.4174 26 L 4.3081 7.8526 118.0524 53.4506 42.3211 178.2752 27 G 3.9916 8.0155 106.1984 45.6061 0.0000 173.6499 28 I 4.7759 7.2061 119.8589 58.2898 41.1465 175.3237 29 S 4.3983 8.5704 118.7684 58.0818 65.0005 175.0905 30 L 3.1256 8.4487 124.5745 58.5362 41.7053 179.6193 31 T 3.7406 7.6946 114.8348 66.8547 68.6717 176.9042 32 R 3.9599 7.8051 119.5272 59.2446 30.0174 178.5863 33 Y 3.9361 8.5272 120.0363 60.7900 38.8530 178.1988 34 S 4.2005 8.1845 116.1056 61.3555 62.8552 176.6322 35 I 3.6497 7.7380 122.6252 64.5130 36.9127 178.4529 36 L 3.9239 7.6227 119.1435 57.8122 41.2607 179.5963 37 Q 3.9234 7.9599 117.9707 59.1889 28.6405 179.1239 38 T 3.8361 7.9183 116.6367 66.5164 68.2823 176.8132 39 L 3.9339 7.7122 119.5410 57.9384 41.7938 179.4178 40 L 4.1104 8.0974 117.7633 57.4142 41.4887 179.2781 41 K 4.3046 7.6684 119.2517 57.6880 33.3581 177.4165 42 D 4.6403 8.0827 121.5375 50.6946 39.2836 174.2491 43 A 4.6622 7.8920 129.1912 49.9035 22.2514 174.3707 44 P 4.2945 0.0000 0.0000 62.3416 32.5247 175.5184 45 L 4.7175 7.7960 119.4179 53.1247 46.0280 175.8853 46 H 5.0742 8.6865 118.1610 54.7344 29.9730 176.7506 47 Q 4.0709 8.7845 119.7438 58.8613 28.6393 178.7131 48 L 3.9478 7.9079 121.7021 58.9080 40.5739 179.0301 49 A 4.0010 7.9488 121.4178 54.5595 18.2752 179.2065 50 L 3.9305 7.8703 119.0561 58.1662 42.0664 179.2078 51 Q 3.9854 8.1972 118.1567 58.9016 28.4357 178.4767 52 E 3.9897 7.9242 120.3294 60.2822 29.6714 179.4625 53 R 4.0643 7.8403 115.8852 58.7062 29.5619 179.5580 54 L 4.3370 7.6151 115.4654 54.0828 42.9780 175.9515 55 Q 3.5549 8.2560 117.2262 56.0803 25.7101 172.8781 56 I 4.6563 7.0234 109.7723 57.9699 41.3786 175.9178 57 D 4.6989 8.5715 124.6989 53.5041 41.5517 178.2263 58 R 3.9122 8.4940 120.9904 61.7332 28.8137 178.4078 59 A 4.2058 8.0273 121.0410 54.7319 18.3616 179.5757 60 A 3.8985 7.8795 118.8292 55.3346 18.6281 179.7722 61 V 3.6212 7.7617 116.8210 66.5907 31.5698 178.2388 62 T 3.9021 7.9051 115.4015 66.6572 68.3843 176.5822 63 R 3.8721 7.7043 119.4612 59.5978 30.1515 178.2689 64 H 4.2174 8.2407 115.9618 59.1136 28.8097 177.9332 65 L 4.1008 8.4040 121.0632 57.4664 41.3905 179.6014 66 K 4.1525 8.1362 119.8883 59.5334 32.1925 178.9751 67 L 4.0704 7.8985 118.9328 57.7139 41.4360 179.4977 68 L 4.2983 8.4216 120.6347 57.2495 41.6865 179.4053 69 E 4.3548 8.4032 119.0591 58.7969 29.3963 178.6611 70 E 3.9769 8.0071 119.7031 58.8573 29.9852 178.0920 71 S 4.5211 8.2093 112.2279 57.9896 63.0168 175.1669 72 G 3.8070 7.5652 109.3139 46.6941 0.0000 174.2044 73 Y 4.8387 8.2100 119.5888 58.7265 39.5525 175.5181 74 I 5.3849 7.7516 111.2749 59.1325 41.8486 174.1922 75 I 4.8858 8.6449 115.3002 59.3294 41.0702 174.3145 76 R 5.4187 8.6158 121.7652 53.6780 32.5139 175.2609 77 K 4.3590 9.1167 120.9937 57.4278 35.2324 175.8274 *85 E 4.3757 7.8082 116.7659 56.4071 29.2447 177.1419 86 V 4.4853 7.3931 119.1367 60.9875 34.4451 175.1731 87 L 4.2458 8.3150 127.5028 54.2185 43.5220 176.4124 88 V 4.6949 8.1833 121.4498 61.0441 34.8616 174.4068 89 W 5.2183 9.2362 127.0112 54.1622 32.9772 172.7697 90 P 5.1867 0.0000 0.0000 62.3159 32.3439 175.8951 91 T 4.2978 8.7891 113.5166 60.9942 70.4191 175.2310 92 E 3.9457 8.8219 121.5063 59.2740 29.5360 178.2174 93 Q 3.9954 8.1652 119.1637 59.0542 29.1079 178.1478 94 A 4.1779 7.8647 120.3756 55.3068 18.4316 179.5490 95 R 3.8614 7.7833 117.4002 59.5464 30.1085 178.6594 96 E 3.9359 8.3700 118.0642 59.5118 29.3540 179.0947 97 A 4.1208 8.4496 119.6541 54.6195 18.4575 178.7275 98 L 4.4162 7.8688 115.5697 56.7279 42.8642 176.8485 99 I 4.2140 7.8246 116.6512 63.0818 39.1239 176.9094 100 T 4.0533 7.6559 117.7752 64.7426 68.3944 175.2133 101 N 5.0138 7.8862 119.1922 51.8234 39.6043 172.0083 102 P 4.6893 0.0000 0.0000 62.1447 33.1111 177.6372 103 S 4.3257 8.4464 114.4650 58.1458 65.0768 174.9775 104 A 3.9794 8.5793 124.8899 55.7476 18.0398 179.7156 105 H 4.0658 8.0873 116.0777 59.8833 29.9871 177.1818 106 H 4.2864 7.8475 117.7236 58.7170 28.4793 177.9145 107 Q 3.9604 8.5349 120.2230 58.9912 28.5137 178.6488 108 A 4.0001 8.0744 121.7327 55.1149 18.1108 179.7217 109 I 3.5288 7.5919 117.5691 64.3535 37.3332 178.0958 110 K 3.9656 7.9657 118.5215 60.1838 32.0664 179.1830 111 T 4.0790 7.7619 114.2848 66.4264 68.4605 177.6655 112 S 4.3917 7.6779 113.1511 58.7814 62.1993 175.2742 *114 N 4.5206 8.1884 118.1738 52.2575 40.1607 175.1051 115 Q 4.4284 7.3972 113.9881 55.9935 29.5550 176.8401 116 I 3.8124 7.9171 119.9613 63.9468 37.3265 176.0663 117 L 4.9317 7.4334 117.6631 52.5570 44.6180 176.9274 118 T 4.2493 8.3592 112.7710 61.1427 70.9902 176.1152 119 V 3.6824 8.3355 122.5424 66.5605 31.4255 178.3730 120 E 3.9913 8.1001 117.8955 61.2195 29.9171 181.2777 121 E 4.2403 7.9959 118.9701 58.8082 29.7461 179.1904 122 S 4.0973 8.1809 114.4977 61.4075 62.5317 175.9162 123 E 4.0179 8.4424 121.5525 59.5083 29.2059 179.1889 124 Q 4.0271 8.4168 119.7556 58.8156 29.0471 178.0466 125 F 4.0878 8.2305 121.5691 61.4241 39.5616 177.2711 126 L 3.9729 8.1276 118.1755 57.4049 41.3445 179.4627 127 A 3.9606 8.0532 121.0050 55.5602 18.3034 179.8879 128 T 3.7956 7.8603 114.3191 66.3842 68.4652 176.7490 129 L 3.7164 7.7353 122.3638 58.2912 42.0402 178.9146 130 D 4.3067 8.0469 118.7453 57.1740 40.7399 178.6223 131 K 3.8871 8.0711 120.2145 59.2008 32.0475 178.7037 132 L 3.8484 8.0831 120.7547 58.1355 42.0828 178.8075 133 L 3.9397 7.8755 118.8729 57.9038 41.5603 179.6295 134 I 3.7737 7.9609 119.7680 64.3322 36.8402 178.6762 135 G 3.6157 7.7580 105.1382 47.8894 0.0000 175.4308 136 L 4.1596 8.1428 121.7682 57.6115 41.4595 179.6633 137 Q 4.0549 8.3801 117.1543 58.2667 28.6569 177.4098 138 N 4.7330 7.7314 115.4932 52.2093 39.0536 175.3334 139 L 4.1704 6.8103 120.9553 53.7834 42.3678 175.3220 140 P 4.0835 0.0000 0.0000 64.3676 31.9075 176.5159 141 I 3.6562 8.0699 119.5736 61.5075 38.8515 173.9082 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 Q 8.20 4.34 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.19 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 3 E 7.81 3.92 0.00 2.19 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 0.00 2.40 2.43 0.00 *5 E 8.49 4.26 0.00 2.00 1.99 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 2.29 2.25 0.00 6 D 7.80 4.43 0.00 2.90 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 7 L 8.03 3.97 0.00 1.79 1.66 0.91 0.63 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 8 L 7.89 4.00 0.00 1.92 1.73 0.93 0.77 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 9 Y 8.20 3.98 0.00 3.14 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 10 R 8.27 3.88 0.00 1.92 1.98 0.00 3.24 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 11 L 7.95 3.94 0.00 1.87 1.86 0.96 0.54 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 12 K 7.70 3.82 0.00 1.76 1.50 0.00 1.72 0.00 0.00 1.44 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.38 7.81 13 V 7.39 3.41 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 0.91 0.00 0.00 0.51 0.00 0.00 14 A 8.08 3.92 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 15 D 8.11 4.24 0.00 2.87 2.78 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 0.00 0.00 0.00 16 E 8.03 3.94 0.00 2.17 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 0.00 2.30 2.22 0.00 17 T 7.90 3.90 4.34 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 1.21 0.00 0.00 18 I 8.19 3.73 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.89 0.00 0.00 19 S 8.40 4.13 0.00 4.01 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 0.00 20 N 7.97 4.33 0.00 2.80 2.92 0.00 0.00 7.04 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 21 L 7.99 4.00 0.00 2.01 1.74 1.00 0.80 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 22 F 8.54 3.81 0.00 3.15 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 23 E 8.22 4.33 0.00 2.23 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 2.36 2.29 0.00 24 K 7.82 4.04 0.00 1.81 1.85 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.65 7.81 25 Q 7.86 4.22 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 26 L 7.85 4.31 0.00 1.12 1.31 0.60 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.02 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 28 I 7.21 4.78 2.10 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 1.38 1.06 1.00 0.00 0.00 29 S 8.57 4.40 0.00 4.11 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 30 L 8.45 3.13 0.00 1.26 1.47 -0.25 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.69 3.74 4.14 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 0.95 0.00 0.00 32 R 7.81 3.96 0.00 1.90 2.02 0.00 3.22 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 33 Y 8.53 3.94 0.00 3.33 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 34 S 8.18 4.20 0.00 4.05 3.88 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 0.00 0.00 0.00 35 I 7.74 3.65 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 0.89 0.00 0.00 36 L 7.62 3.92 0.00 1.54 1.49 0.41 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.96 3.92 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 38 T 7.92 3.84 4.34 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 1.17 0.00 0.00 39 L 7.71 3.93 0.00 1.74 1.72 0.92 0.86 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 40 L 8.10 4.11 0.00 1.55 1.71 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.67 4.30 0.00 1.79 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.43 7.81 42 D 8.08 4.64 0.00 2.72 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 43 A 7.89 4.66 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 44 P 0.00 4.29 0.00 1.00 0.49 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 45 L 7.80 4.72 0.00 1.46 1.43 0.85 0.89 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 46 H 8.69 5.07 0.00 3.04 3.15 0.00 5.90 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.78 4.07 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 48 L 7.91 3.95 0.00 1.92 1.95 0.90 0.72 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 49 A 7.95 4.00 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 50 L 7.87 3.93 0.00 1.92 1.80 0.88 0.67 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 51 Q 8.20 3.99 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 52 E 7.92 3.99 0.00 2.14 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 2.34 2.46 0.00 53 R 7.84 4.06 0.00 1.85 1.85 0.00 3.25 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 54 L 7.62 4.34 0.00 1.72 1.70 0.93 1.32 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 55 Q 8.26 3.55 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 56 I 7.02 4.66 1.90 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 1.46 0.55 0.92 0.00 0.00 57 D 8.57 4.70 0.00 2.89 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 58 R 8.49 3.91 0.00 1.84 1.99 0.00 3.25 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 59 A 8.03 4.21 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 60 A 7.88 3.90 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 61 V 7.76 3.62 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 1.10 0.00 0.00 0.99 0.00 0.00 62 T 7.91 3.90 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 63 R 7.70 3.87 0.00 1.89 2.03 0.00 3.07 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 64 H 8.24 4.22 0.00 3.40 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.40 4.10 0.00 1.74 1.76 0.95 0.72 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 66 K 8.14 4.15 0.00 2.08 1.99 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 67 L 7.90 4.07 0.00 1.98 1.77 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.42 4.30 0.00 1.94 1.84 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.40 4.35 0.00 2.29 2.30 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 2.62 2.20 0.00 70 E 8.01 3.98 0.00 2.17 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 2.33 2.33 0.00 71 S 8.21 4.52 0.00 4.11 4.13 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 0.00 0.00 0.00 0.00 72 G 7.57 3.81 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 0.00 0.00 0.00 73 Y 8.21 4.84 0.00 3.07 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 74 I 7.75 5.38 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.22 0.99 0.00 0.00 75 I 8.64 4.89 1.89 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.86 0.92 0.00 0.00 76 R 8.62 5.42 0.00 1.74 1.92 0.00 3.25 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 77 K 9.12 4.36 0.00 2.09 1.92 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.43 1.17 7.81 *85 E 7.81 4.38 0.00 1.90 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 2.20 2.31 0.00 86 V 7.39 4.49 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 1.06 0.00 0.00 0.96 0.00 0.00 87 L 8.32 4.25 0.00 1.58 0.53 1.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.18 4.69 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 1.00 0.00 0.00 0.91 0.00 0.00 89 W 9.24 5.22 0.00 3.33 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 90 P 0.00 5.19 0.00 2.12 2.07 0.00 3.98 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 2.03 2.04 0.00 91 T 8.79 4.30 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 1.28 0.00 0.00 92 E 8.82 3.95 0.00 2.10 1.99 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 2.38 2.55 0.00 93 Q 8.17 4.00 0.00 2.12 2.20 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 2.36 2.38 0.00 94 A 7.86 4.18 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.78 3.86 0.00 1.87 2.10 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 96 E 8.37 3.94 0.00 2.17 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 2.54 0.00 97 A 8.45 4.12 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 0.00 0.00 0.00 0.00 0.00 98 L 7.87 4.42 0.00 1.64 1.61 0.73 -0.06 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 99 I 7.82 4.21 1.98 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 1.16 0.82 0.92 0.00 0.00 100 T 7.66 4.05 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 0.00 101 N 7.89 5.01 0.00 2.69 2.69 0.00 0.00 7.22 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 0.00 102 P 0.00 4.69 0.00 2.28 2.21 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 103 S 8.45 4.33 0.00 4.03 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 0.00 104 A 8.58 3.98 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 0.00 105 H 8.09 4.07 0.00 3.20 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.85 4.29 0.00 3.35 3.32 0.00 5.69 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 0.00 107 Q 8.53 3.96 0.00 2.22 2.15 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 2.40 2.56 0.00 108 A 8.07 4.00 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 0.00 109 I 7.59 3.53 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.57 0.71 0.00 0.00 110 K 7.97 3.97 0.00 1.79 1.91 0.00 1.83 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.51 1.52 7.81 111 T 7.76 4.08 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 1.20 0.00 0.00 112 S 7.68 4.39 0.00 3.91 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 *114 N 8.19 4.52 0.00 2.78 2.91 0.00 0.00 7.06 7.69 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 0.00 115 Q 7.40 4.43 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.95 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 116 I 7.92 3.81 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.85 0.00 0.00 117 L 7.43 4.93 0.00 1.53 1.48 0.67 0.75 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 0.00 118 T 8.36 4.25 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 1.20 0.00 0.00 119 V 8.34 3.68 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 1.11 0.00 0.00 0.93 0.00 0.00 120 E 8.10 3.99 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 1.94 0.00 121 E 8.00 4.24 0.00 2.16 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 2.47 2.29 0.00 122 S 8.18 4.10 0.00 3.99 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 0.00 123 E 8.44 4.02 0.00 2.27 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 2.43 0.00 124 Q 8.42 4.03 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 125 F 8.23 4.09 0.00 3.35 3.23 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 0.00 126 L 8.13 3.97 0.00 1.81 1.72 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 127 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 0.00 128 T 7.86 3.80 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 1.12 0.00 0.00 129 L 7.74 3.72 0.00 1.47 1.67 0.74 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.05 4.31 0.00 2.92 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 0.00 131 K 8.07 3.89 0.00 1.90 1.92 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 132 L 8.08 3.85 0.00 1.84 1.77 0.89 0.64 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 0.00 133 L 7.88 3.94 0.00 1.84 1.68 0.89 0.67 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 0.00 134 I 7.96 3.77 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.87 0.90 0.00 0.00 135 G 7.76 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.14 4.16 0.00 1.68 1.71 0.90 0.99 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 0.00 137 Q 8.38 4.05 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 138 N 7.73 4.73 0.00 2.85 2.83 0.00 0.00 7.02 7.93 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 0.00 139 L 6.81 4.17 0.00 1.61 1.60 0.96 0.95 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 0.00 140 P 0.00 4.08 0.00 2.03 2.00 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 141 I 8.07 3.66 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 1.27 0.67 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.