NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6536 8.2233 120.3201 53.3315 40.9782 175.2299 3 D 4.2333 8.6597 117.3593 57.0450 40.6845 176.8307 4 R 3.8919 8.3923 119.3791 59.4218 30.5355 178.0441 5 L 3.9619 7.9095 119.5733 57.9661 41.9413 178.3719 6 F 4.1388 7.8566 119.1313 61.5475 39.4437 176.9933 7 R 3.9487 8.1685 116.3592 59.2799 29.9308 178.3962 8 N 4.4088 8.3357 115.4203 56.1450 38.8083 177.8769 9 A 4.1455 7.8715 119.4120 52.5892 18.3241 179.1831 *11 G 3.7678 8.0939 110.2047 46.6346 0.0000 175.4544 12 K 3.9579 7.7895 118.1023 57.5607 32.3214 176.7932 13 F 4.5839 8.0454 121.3020 56.5356 38.8832 174.7735 14 A 4.6950 8.1355 130.5402 52.4959 19.1186 176.0753 15 T 4.5518 8.9047 109.9302 60.0640 73.1352 174.3238 16 G 4.0262 8.4706 108.8692 45.2189 0.0000 172.4570 17 V 4.7879 8.3363 118.2837 61.4415 35.0960 175.1414 18 T 5.0959 8.8828 116.7986 59.8238 72.7555 172.5648 19 V 4.4988 8.5445 121.8299 61.0797 34.3693 174.1825 20 I 4.7522 8.1945 128.7109 60.5481 38.6722 174.8067 21 T 5.1653 8.7634 117.0028 60.5064 72.2040 172.7254 22 T 4.9330 8.6692 116.7628 61.2842 71.8255 171.4595 23 E 5.0364 8.5429 123.7200 54.1833 32.2495 174.7751 24 L 4.4103 8.7847 127.7233 53.8320 44.1197 175.0747 25 N 4.2540 9.8839 125.0238 53.9329 35.8049 173.0127 26 G 4.2536 8.2493 109.6783 45.4240 0.0000 172.4598 27 A 4.0680 7.3739 122.7478 51.3191 19.0711 176.1598 28 V 4.2955 7.9854 123.0624 62.1278 32.6516 174.7960 29 H 4.9896 9.2923 125.0646 54.2083 32.0954 173.3763 30 G 4.5966 8.5001 108.3452 44.6210 0.0000 171.3155 *32 T 4.3891 8.4131 114.7909 63.3977 69.7898 173.5370 33 A 4.6869 8.9184 128.3452 50.7476 22.2382 176.1059 34 N 4.8861 8.7335 117.8930 52.8023 39.1878 175.8783 35 A 4.3993 7.7176 124.0218 51.2460 16.6490 175.1530 36 F 5.5430 7.5617 122.5779 54.6010 43.5752 173.3746 *38 S 4.0589 8.2963 115.6054 58.1212 63.0084 172.1026 39 V 4.1850 8.5646 125.5405 63.9313 33.1769 175.6103 40 S 4.6391 7.4834 112.4949 56.6501 65.5125 173.9272 41 L 3.9983 8.6252 128.1161 56.7861 42.3439 176.2391 42 N 4.8121 7.7988 116.3959 50.5201 40.0959 172.2782 43 P 4.4812 0.0000 0.0000 61.5755 32.7005 176.4707 44 K 4.4618 8.3774 117.5036 56.4195 32.2182 176.2765 45 L 5.4825 8.9880 125.5410 52.8273 45.9381 176.1833 46 V 4.8966 8.8626 120.1525 60.4191 35.6423 173.6459 47 L 5.4752 8.1780 121.5592 53.6951 45.7632 174.7599 48 V 4.8698 8.8676 123.9547 59.9634 35.1791 174.0980 49 S 5.2716 8.7558 117.1062 56.7251 64.4425 173.1082 50 I 4.6424 8.7581 127.9965 59.0220 40.2452 175.5936 51 G 3.7139 8.6704 113.9855 46.0070 0.0000 174.4252 52 E 4.1518 8.7327 120.8436 58.4525 29.7270 178.1142 53 K 4.2122 7.8507 116.4065 56.4452 32.7905 176.3889 54 A 4.2298 7.6597 123.6171 51.4512 18.4417 178.7901 55 K 3.9379 8.6441 126.5182 56.3213 32.6281 178.9996 *57 L 4.3364 8.1130 120.7666 55.1327 44.0206 178.3307 58 E 4.3339 7.9129 117.8420 58.6329 29.4815 178.8406 59 K 3.8448 7.6570 118.7070 59.6227 32.1370 179.3241 60 I 3.6404 7.4569 119.3148 64.2030 36.4653 178.2395 61 Q 4.1964 8.0747 119.0418 59.0246 28.2860 179.0891 62 Q 4.0364 7.9571 118.2808 58.9428 29.0927 178.4331 63 S 4.2304 8.0975 113.6387 59.0129 63.2995 174.5712 64 K 4.0172 8.5264 120.8837 56.5366 30.1611 174.2371 65 K 5.0789 7.5308 115.8378 56.1845 35.8503 174.5410 66 Y 5.0304 8.1312 116.7515 56.2830 41.5557 172.9008 67 A 5.1602 9.0214 122.7557 50.2414 22.7094 175.2997 68 V 4.2817 8.9558 121.4412 61.3697 33.6898 174.4558 69 N 5.2457 8.9614 126.9847 51.5022 40.1005 174.1570 70 I 4.2518 8.3007 126.3125 61.0042 38.5571 175.7163 71 L 4.9038 9.0598 128.1721 54.1191 43.2037 177.0018 72 S 4.7884 9.1835 118.2596 57.5280 64.3101 174.8879 73 Q 3.9801 8.9699 122.1844 59.1652 28.6832 177.2621 74 D 4.7301 8.0843 115.2664 54.5605 41.3260 176.5480 75 Q 4.6373 7.8198 119.1527 55.2961 29.5112 177.8798 76 K 3.5837 8.1075 121.7594 59.3532 32.4729 178.1138 77 V 3.6841 7.6415 117.4731 65.7208 31.8882 176.8752 78 L 4.1187 7.9497 119.4546 57.9568 41.4883 179.2681 79 S 4.3788 7.9101 108.7905 59.6067 62.1389 174.9310 *81 N 4.4808 8.2284 117.9239 53.5224 39.9518 175.7871 82 F 4.5691 8.2892 112.8617 58.1650 39.0258 175.9336 83 A 4.4803 7.7700 122.8539 51.3877 19.0581 177.5955 84 G 3.8944 7.8205 103.6279 47.0311 0.0000 174.9744 85 Q 4.3868 8.1615 116.8311 55.4871 29.5002 175.6276 86 L 4.8184 7.3626 117.5092 52.7002 44.4080 176.4652 87 E 4.0410 8.8357 121.3455 58.5780 29.7380 177.3616 88 K 4.4749 7.6237 118.6676 53.4516 33.9723 173.6053 89 P 4.4175 0.0000 0.0000 62.2549 31.7461 176.8852 90 V 3.6073 8.0455 117.2270 61.1572 31.9934 175.8601 91 D 4.4487 8.3952 122.5009 53.7234 40.6556 175.6869 92 V 3.8709 8.0235 126.7944 61.5374 32.8683 175.3195 93 Q 4.2291 8.2080 125.9041 55.4663 29.3520 174.5676 94 F 5.4416 8.6726 123.2865 55.9939 41.2628 175.6647 95 E 5.0905 9.1069 121.1067 55.0083 32.8858 174.0013 96 E 5.0644 8.6981 118.2365 55.0009 33.0788 175.8306 97 L 4.3315 9.1583 126.9595 54.9719 45.0402 175.5805 98 G 4.1046 9.3057 114.7986 45.5435 0.0000 174.1072 99 G 3.9234 8.5779 106.0646 44.8657 0.0000 173.9951 100 L 4.7302 7.5479 119.9291 51.6853 44.0741 173.8857 101 P 4.8773 0.0000 0.0000 63.1289 31.9083 175.8517 102 V 4.7479 8.8859 116.2415 59.5578 36.5361 174.3139 103 I 4.5877 8.7660 123.3650 59.6198 38.4716 175.9027 104 K 4.0907 8.4445 128.9278 58.0701 32.4700 176.2268 105 D 4.4759 8.9315 123.0666 54.6805 38.2973 174.0790 106 A 4.3709 7.4548 121.7665 51.9285 19.2075 177.9970 107 L 4.1817 8.7386 122.4491 57.4592 43.2126 176.9496 108 A 5.1074 7.7404 117.7798 50.6976 23.0030 174.9181 109 Q 5.0360 9.3602 119.0567 54.1330 32.6628 174.8085 110 I 4.8807 8.6677 123.9187 59.8005 40.8608 174.4482 111 S 4.9777 9.0065 124.1726 57.3487 64.9320 173.4404 112 C 5.2220 8.8062 120.5813 58.0883 32.7631 172.7679 113 Q 4.7787 8.6322 120.8505 53.8153 30.9500 175.3383 114 V 4.2581 8.5567 125.1036 63.4391 31.6414 176.0057 115 V 4.4704 8.6647 120.0057 61.3343 33.6072 175.1455 116 N 4.8966 7.8240 117.4293 52.5835 42.3155 172.6754 117 E 5.0434 8.7268 123.1935 54.5274 33.3360 175.3425 118 V 4.2531 8.3639 123.4553 60.8872 34.6475 174.3014 119 Q 4.4227 8.7333 129.5967 56.2033 30.1313 175.9816 120 A 4.3949 9.4294 129.4250 51.3518 21.1626 177.3767 121 G 3.7774 8.3298 114.8696 46.9633 0.0000 174.4862 122 D 4.4989 8.8428 123.9626 57.0075 41.0075 175.4806 123 H 5.3909 8.2548 114.6199 54.2451 33.8656 172.3014 124 T 4.8594 8.7622 116.3670 61.7764 71.5450 173.4658 125 L 4.7344 8.8959 126.8141 53.9534 43.4803 175.6933 126 F 5.2075 9.3233 124.0684 55.9749 40.7768 174.9998 127 I 4.6848 8.7813 126.3173 60.5538 38.6087 175.4780 128 G 4.2866 9.5085 114.1647 44.2535 0.0000 171.2297 129 E 4.8287 9.1045 126.8249 55.3969 31.1682 175.3165 130 V 4.3616 8.5524 128.1706 62.9463 31.6290 175.5183 131 T 4.4720 8.8788 118.4558 62.9535 70.2589 174.8058 132 D 4.8848 7.7437 119.9546 52.8088 45.6040 174.5572 133 I 4.9576 8.2702 121.5578 59.5359 41.4239 174.5589 134 K 4.6842 9.2089 126.5881 54.7585 35.4528 174.9391 135 I 5.0750 8.4764 126.6170 59.7743 40.5976 174.2580 136 T 4.7129 8.5897 114.1258 59.8200 72.9738 173.5399 137 E 4.4484 8.4598 118.1453 56.3080 30.0315 176.8866 138 Q 4.2852 7.8625 116.9619 55.6465 29.8990 175.6114 139 D 4.8055 8.3472 119.4987 53.5874 42.3438 173.9879 140 P 5.0636 0.0000 0.0000 61.6618 33.1504 175.2684 141 L 4.2797 8.4700 124.5853 55.2792 43.2084 175.7037 142 L 5.2935 8.9612 125.2456 53.0207 45.7962 175.1167 143 F 5.3285 9.3738 123.1263 56.6549 42.9052 173.3903 144 F 4.8305 8.8800 127.1581 57.7565 43.2839 174.1404 145 S 3.2306 8.8304 122.1183 59.4750 60.7266 173.5514 146 G 3.6611 7.6771 104.8866 45.3715 0.0000 173.9179 147 K 4.4440 6.7494 118.0005 54.0115 35.8772 175.2790 148 Y 5.0359 8.2291 118.4962 58.9566 38.9288 174.5184 149 H 5.0274 9.4642 118.5248 55.0146 34.1978 172.0242 150 Q 5.0503 8.4566 117.1719 53.7688 32.4127 175.9488 151 L 4.0393 8.5060 120.6449 54.4034 42.3459 177.3189 152 A 4.0817 8.4208 125.5556 52.4924 19.0119 177.6888 153 Q 4.2304 8.5683 120.3487 56.0160 29.0420 175.6887 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 D 8.22 4.65 0.00 2.93 2.93 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 3 D 8.66 4.23 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 4 R 8.39 3.89 0.00 1.93 1.95 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 5 L 7.91 3.96 0.00 1.82 1.86 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.86 4.14 0.00 3.00 3.27 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 7 R 8.17 3.95 0.00 1.92 1.98 0.00 3.28 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 8 N 8.34 4.41 0.00 2.81 2.82 0.00 0.00 7.04 6.98 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 9 A 7.87 4.15 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 *11 G 8.09 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 12 K 7.79 3.96 0.00 1.96 1.97 0.00 1.69 0.00 0.00 1.27 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.49 7.81 13 F 8.05 4.58 0.00 2.96 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 14 A 8.14 4.70 1.05 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 0.00 0.00 15 T 8.90 4.55 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 1.43 0.00 0.00 16 G 8.47 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 0.00 0.00 0.00 17 V 8.34 4.79 2.17 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 1.02 0.00 0.00 1.18 0.00 0.00 18 T 8.88 5.10 4.12 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 0.00 0.00 1.01 0.00 0.00 19 V 8.54 4.50 1.82 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 0.15 0.00 0.00 0.87 0.00 0.00 20 I 8.19 4.75 1.75 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 0.72 0.00 0.00 21 T 8.76 5.17 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 1.11 0.00 0.00 22 T 8.67 4.93 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 1.18 0.00 0.00 23 E 8.54 5.04 0.00 1.87 1.70 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 2.13 2.19 0.00 24 L 8.78 4.41 0.00 1.69 1.51 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.88 4.25 0.00 2.86 2.80 0.00 0.00 7.31 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 26 G 8.25 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 0.00 0.00 0.00 0.00 27 A 7.37 4.07 1.23 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 0.00 0.00 28 V 7.99 4.30 1.60 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 -0.03 0.00 0.00 0.53 0.00 0.00 29 H 9.29 4.99 0.00 3.03 3.15 0.00 5.61 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 30 G 8.50 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 0.00 0.00 0.00 0.00 *32 T 8.41 4.39 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 1.30 0.00 0.00 33 A 8.92 4.69 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.73 4.89 0.00 3.03 2.94 0.00 0.00 6.13 7.26 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 35 A 7.72 4.40 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 36 F 7.56 5.54 0.00 2.95 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 *38 S 8.30 4.06 0.00 3.87 3.74 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 39 V 8.56 4.18 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 0.82 0.00 0.00 0.89 0.00 0.00 40 S 7.48 4.64 0.00 3.83 3.64 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 41 L 8.63 4.00 0.00 1.63 1.67 0.93 0.92 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 42 N 7.80 4.81 0.00 2.70 2.72 0.00 0.00 6.92 8.02 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 43 P 0.00 4.48 0.00 2.28 2.07 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 44 K 8.38 4.46 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.66 7.81 45 L 8.99 5.48 0.00 1.55 1.54 0.93 0.94 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 46 V 8.86 4.90 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 1.21 0.00 0.00 1.17 0.00 0.00 47 L 8.18 5.48 0.00 1.74 1.45 0.91 0.73 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 48 V 8.87 4.87 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 0.30 0.00 0.00 1.00 0.00 0.00 49 S 8.76 5.27 0.00 3.92 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 50 I 8.76 4.64 2.17 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 1.16 0.75 1.00 0.00 0.00 51 G 8.67 3.71 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 0.00 0.00 0.00 52 E 8.73 4.15 0.00 2.10 2.16 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 2.35 2.27 0.00 53 K 7.85 4.21 0.00 1.74 1.89 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.49 7.81 54 A 7.66 4.23 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 55 K 8.64 3.94 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.46 7.81 *57 L 8.11 4.34 0.00 1.82 1.83 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.91 4.33 0.00 2.20 2.21 0.00 0.00 0.00 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 2.19 0.00 59 K 7.66 3.84 0.00 1.72 1.81 0.00 1.35 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.60 1.47 7.81 60 I 7.46 3.64 1.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.35 0.25 0.00 0.00 61 Q 8.07 4.20 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.88 2.79 0.00 62 Q 7.96 4.04 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 63 S 8.10 4.23 0.00 4.01 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 64 K 8.53 4.02 0.00 1.92 1.92 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.52 7.81 65 K 7.53 5.08 0.00 1.74 1.67 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.35 7.81 66 Y 8.13 5.03 0.00 3.05 2.93 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 67 A 9.02 5.16 1.22 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 68 V 8.96 4.28 1.89 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 0.17 0.00 0.00 1.12 0.00 0.00 69 N 8.96 5.25 0.00 2.61 2.68 0.00 0.00 6.59 6.92 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 70 I 8.30 4.25 1.83 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 1.04 0.38 0.91 0.00 0.00 71 L 9.06 4.90 0.00 1.63 1.57 1.00 0.59 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 72 S 9.18 4.79 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 73 Q 8.97 3.98 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 74 D 8.08 4.73 0.00 2.69 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 75 Q 7.82 4.64 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.11 3.58 0.00 1.44 1.65 0.00 1.52 0.00 0.00 1.37 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.06 0.30 7.81 77 V 7.64 3.68 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 0.80 0.00 0.00 0.87 0.00 0.00 78 L 7.95 4.12 0.00 1.96 1.91 0.93 0.82 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 79 S 7.91 4.38 0.00 3.90 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 *81 N 8.23 4.48 0.00 2.76 2.65 0.00 0.00 7.13 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 82 F 8.29 4.57 0.00 3.12 3.12 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 0.00 0.00 0.00 83 A 7.77 4.48 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 84 G 7.82 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 0.00 0.00 0.00 85 Q 8.16 4.39 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 86 L 7.36 4.82 0.00 1.55 1.51 0.88 0.91 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 87 E 8.84 4.04 0.00 1.94 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 2.31 2.23 0.00 88 K 7.62 4.47 0.00 1.66 1.65 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.39 7.81 89 P 0.00 4.42 0.00 2.02 1.88 0.00 3.70 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 1.99 2.05 0.00 90 V 8.05 3.61 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 0.56 0.00 0.00 0.84 0.00 0.00 91 D 8.40 4.45 0.00 2.60 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 92 V 8.02 3.87 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 0.29 0.00 0.00 0.86 0.00 0.00 93 Q 8.21 4.23 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 94 F 8.67 5.44 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 95 E 9.11 5.09 0.00 2.00 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 2.20 2.24 0.00 96 E 8.70 5.06 0.00 1.90 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 2.26 0.00 97 L 9.16 4.33 0.00 1.69 1.44 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.31 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 0.00 0.00 0.00 0.00 99 G 8.58 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 0.00 100 L 7.55 4.73 0.00 1.84 1.52 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.88 0.00 1.71 1.81 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 102 V 8.89 4.75 2.16 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 0.79 0.00 0.00 0.98 0.00 0.00 103 I 8.77 4.59 1.82 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.45 0.83 0.00 0.00 104 K 8.44 4.09 0.00 1.79 1.67 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.58 7.81 105 D 8.93 4.48 0.00 2.85 2.77 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 0.00 106 A 7.45 4.37 1.33 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 0.00 0.00 0.00 107 L 8.74 4.18 0.00 1.80 1.90 1.00 1.16 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 0.00 108 A 7.74 5.11 1.20 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 0.00 0.00 109 Q 9.36 5.04 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 110 I 8.67 4.88 1.87 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 1.27 0.67 0.98 0.00 0.00 111 S 9.01 4.98 0.00 3.72 3.71 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 0.00 112 C 8.81 5.22 0.00 1.94 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 0.00 113 Q 8.63 4.78 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 114 V 8.56 4.26 2.26 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 1.02 0.00 0.00 1.11 0.00 0.00 115 V 8.66 4.47 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 0.77 0.00 0.00 1.01 0.00 0.00 116 N 7.82 4.90 0.00 2.79 2.62 0.00 0.00 6.96 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 0.00 117 E 8.73 5.04 0.00 1.79 1.61 0.00 0.00 0.00 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 2.39 0.00 118 V 8.36 4.25 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 0.72 0.00 0.00 0.89 0.00 0.00 119 Q 8.73 4.42 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 120 A 9.43 4.39 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 0.00 121 G 8.33 3.78 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 0.00 0.00 0.00 122 D 8.84 4.50 0.00 2.83 2.98 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 0.00 123 H 8.25 5.39 0.00 3.09 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.76 4.86 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 0.48 0.00 0.00 125 L 8.90 4.73 0.00 1.46 1.57 0.89 0.89 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 0.00 126 F 9.32 5.21 0.00 2.89 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 0.00 127 I 8.78 4.68 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 1.20 0.69 1.01 0.00 0.00 128 G 9.51 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 0.00 0.00 0.00 0.00 129 E 9.10 4.83 0.00 2.04 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 2.26 2.44 0.00 130 V 8.55 4.36 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 0.85 0.00 0.00 0.98 0.00 0.00 131 T 8.88 4.47 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 1.17 0.00 0.00 132 D 7.74 4.88 0.00 2.55 2.52 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 0.00 133 I 8.27 4.96 1.88 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 1.25 0.61 0.92 0.00 0.00 134 K 9.21 4.68 0.00 1.81 1.58 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 135 I 8.48 5.08 1.88 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 1.42 0.80 0.92 0.00 0.00 136 T 8.59 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 1.21 0.00 0.00 137 E 8.46 4.45 0.00 1.96 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 2.23 2.25 0.00 138 Q 7.86 4.29 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.73 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 139 D 8.35 4.81 0.00 2.61 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 0.00 140 P 0.00 5.06 0.00 2.10 2.06 0.00 3.78 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 1.97 1.97 0.00 141 L 8.47 4.28 0.00 2.01 1.64 0.89 0.57 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 0.00 142 L 8.96 5.29 0.00 1.78 1.60 0.93 0.64 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 0.00 143 F 9.37 5.33 0.00 3.04 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 0.00 144 F 8.88 4.83 0.00 3.00 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 0.00 145 S 8.83 3.23 0.00 2.92 3.49 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 0.00 146 G 7.68 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 0.00 147 K 6.75 4.44 0.00 1.64 1.51 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.23 7.81 148 Y 8.23 5.04 0.00 2.97 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 0.00 149 H 9.46 5.03 0.00 3.09 3.18 0.00 5.55 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.46 5.05 0.00 1.91 1.98 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 2.28 2.39 0.00 151 L 8.51 4.04 0.00 1.63 1.59 0.92 0.76 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 0.00 152 A 8.42 4.08 1.22 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 0.00 153 Q 8.57 4.23 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.