NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4475 8.1927 115.3017 58.5152 64.2471 175.2949 8 Y 3.7736 8.2055 121.1616 60.5611 38.3618 175.9515 9 Y 4.4040 8.8445 114.8417 59.1278 39.1792 175.0750 10 E 4.7576 8.1908 119.1791 55.9628 29.8049 175.5910 11 Q 4.3864 7.2604 115.5836 54.0454 32.6874 174.7041 12 Y 4.5127 8.0741 117.9840 58.0642 38.8803 174.9175 13 H 4.9884 8.5067 119.7579 53.3992 32.0219 174.5670 14 S 2.7900 8.0205 118.4203 56.8341 64.8497 175.3391 15 L 3.7240 7.5870 122.9484 58.3570 41.7085 178.4470 16 N 4.4151 7.9504 115.7491 56.6795 38.4359 177.0897 17 E 4.0420 7.9765 119.6853 59.4182 29.4674 179.5255 18 I 3.7961 7.9400 120.1792 64.4407 37.1221 178.0541 19 Y 4.2913 8.0373 117.6969 61.2812 37.7356 178.7612 20 S 4.1990 8.2816 116.1197 61.3957 62.8634 176.6254 21 W 4.1144 8.6530 131.2566 60.4416 30.5953 178.0382 22 I 3.2452 8.1732 119.8662 64.2683 36.4331 178.2280 23 E 3.8163 7.9067 118.7927 59.3533 29.2306 179.5486 24 V 3.8797 7.5401 119.4301 65.8308 31.5822 177.9984 25 M 3.9711 7.7570 118.7156 58.4284 31.3574 178.7711 26 T 4.0967 7.6523 109.1884 64.1544 68.8485 176.6306 27 E 4.0129 7.6701 121.6659 59.0789 29.4778 179.0703 28 R 3.6001 7.8902 117.4016 58.0123 31.4538 176.9585 29 Y 4.8202 7.5767 114.6603 56.0024 38.0789 174.9943 30 P 4.3512 0.0000 0.0000 64.9580 32.0363 177.6575 31 D 4.6806 7.9737 116.0916 54.8657 41.3860 176.2731 32 M 5.0847 8.3243 118.6112 53.9693 35.4648 175.5828 33 V 4.7926 7.8111 117.5930 60.8528 34.2760 174.4121 34 E 4.8295 9.1481 128.8353 54.1270 32.6899 174.4182 35 K 4.9960 8.6623 125.6448 55.8595 34.7150 175.8153 36 I 4.7138 9.0227 123.9132 59.6751 40.4580 174.1478 37 H 4.5776 9.3185 128.2476 56.1261 29.8033 174.6284 38 I 4.3592 9.5209 119.0623 59.9419 39.1965 176.5743 39 G 3.9564 6.5075 108.7607 46.3103 0.0000 171.0838 40 S 4.9682 8.0161 115.2409 56.5902 67.0640 173.9587 41 S 4.5686 9.1158 118.9031 57.6040 63.9550 174.5396 42 Y 3.9942 8.7632 121.1447 60.9435 38.3209 176.6530 43 E 4.0645 8.8212 116.2846 56.1779 29.4499 176.7333 44 K 3.9157 7.8328 117.1606 57.4533 30.0219 175.6424 45 Y 4.7735 7.6090 116.6502 56.9536 39.1975 173.5690 46 P 4.7885 0.0000 0.0000 62.8037 32.9051 175.3160 47 L 4.8206 8.4436 122.1474 53.3383 43.9167 175.0100 48 Y 5.3185 8.7699 121.0535 56.1823 41.1765 175.1242 49 V 4.5906 8.9360 122.8564 61.2716 34.6974 174.1476 50 L 5.1329 9.0557 127.1955 53.1820 43.7948 175.3063 51 K 4.7088 9.2466 126.5260 55.4070 33.7695 175.2293 52 V 4.9795 9.0256 128.3206 61.2254 34.0563 174.5384 53 S 4.8899 9.0365 121.9722 57.1048 66.5958 175.2802 54 K 3.3791 8.6727 119.0143 59.7679 32.4168 178.5667 *59 K 4.1484 7.7065 119.2221 54.9802 33.5982 175.3366 60 N 4.7846 7.9815 113.8719 52.8655 39.8006 173.6435 61 A 5.0686 8.3490 120.8482 50.4897 22.9389 174.9172 62 M 4.7505 8.3129 118.7464 53.4486 35.2313 174.2422 63 W 5.3532 9.0164 135.0000 56.3664 32.5018 175.1297 64 I 4.7329 8.5042 127.7449 59.4304 39.8880 174.1690 65 D 5.2906 8.8850 125.9507 51.8527 42.1552 175.9175 66 C 4.9654 8.7112 116.5909 55.5841 44.4342 174.2227 67 G 4.1138 9.0990 106.8769 46.7461 0.0000 176.2775 68 I 3.7516 8.1534 122.0200 62.9551 38.5902 175.5552 69 H 5.2023 8.0418 117.6483 53.6491 30.3227 174.9524 70 A 4.4094 8.7994 128.5238 55.4112 18.3653 178.6942 71 R 4.2086 7.8445 109.9268 57.8800 30.4137 177.3604 72 E 4.4487 8.1544 121.4353 55.0548 28.0112 177.1022 73 W 4.5739 8.0368 121.9612 59.6548 29.5749 177.7797 74 I 4.1607 8.0375 118.1790 63.9326 37.3675 177.4021 75 S 4.1861 8.4547 114.6157 60.9956 62.2864 174.1100 76 P 4.4291 0.0000 0.0000 64.8685 31.0148 178.3415 77 A 4.0781 8.0602 119.6493 55.1592 18.2338 179.4514 78 F 4.0666 8.4471 119.0259 61.7638 39.5305 176.7216 79 C 4.2422 8.1760 115.7345 59.9143 38.6133 176.1575 80 L 3.5524 7.9847 120.5764 57.3696 41.0855 179.1704 81 W 3.8484 8.3610 128.4179 60.3568 30.5542 177.5850 82 F 3.7218 8.2195 120.7541 61.2924 38.9425 177.2461 83 V 3.7318 8.1084 117.9046 65.9423 31.4817 178.0783 84 G 3.1702 8.4404 105.8480 47.7373 0.0000 175.8481 85 S 3.9761 7.7151 117.7906 61.4907 62.6687 177.3251 86 V 3.5688 7.1900 113.6763 64.0381 31.2212 178.5472 87 T 3.6542 7.4321 109.6182 64.5427 68.4080 176.3949 88 Y 3.5682 7.3142 121.1721 60.2278 39.1743 176.5503 89 Y 4.5535 7.7473 115.3554 56.8762 37.9618 174.4804 90 Y 3.9874 6.9524 122.5460 58.8823 38.9403 175.8877 91 G 3.5910 8.0685 115.2948 46.3603 0.0000 173.7249 92 K 4.3406 7.7374 118.5915 56.1059 34.3357 177.3090 *98 N 4.8143 7.9999 115.9042 52.7683 39.0951 176.4102 99 L 4.1449 8.1207 118.4833 57.1125 41.5663 178.6999 100 L 4.7885 7.9868 116.0889 55.5258 42.3119 178.5908 101 K 3.9151 7.7724 120.0810 59.5337 31.9203 177.5280 102 H 5.0462 8.0713 111.9686 55.0537 30.0235 172.6592 103 M 4.8782 7.9384 118.3824 54.4577 35.8896 173.8517 104 D 4.9439 8.7279 125.5049 53.4634 43.5396 175.2900 105 F 5.1699 8.9910 118.5036 55.9711 43.3055 173.7740 106 Y 5.0749 9.0933 120.9014 56.5911 40.1035 174.6460 107 I 4.4780 8.9373 126.3646 59.6055 40.0280 174.6334 108 M 4.7545 8.2620 128.2173 52.8855 32.3714 174.3234 109 P 4.1375 0.0000 0.0000 64.7778 31.9827 176.5223 110 V 4.3584 7.3027 117.4225 61.0912 32.6664 174.3172 111 V 3.7974 8.8109 128.4449 65.5941 32.0460 176.7608 112 N 4.9078 8.0121 120.4562 52.1784 37.4218 175.3086 113 V 3.7561 7.8129 116.0692 64.3270 32.1835 177.7772 114 D 4.7315 8.3999 118.3988 57.4185 40.7988 178.8855 115 G 3.9148 8.6353 106.3951 47.9007 0.0000 175.1039 116 Y 4.3902 8.5977 122.1884 60.7480 38.9001 177.6837 117 D 4.2909 8.5329 119.0140 57.6063 41.2141 177.6012 118 Y 4.1126 8.2766 120.3071 60.9025 38.3807 178.1739 119 T 4.1889 8.6194 110.8639 64.4342 68.7060 176.8222 120 W 3.9833 8.0494 120.9904 59.0508 29.1870 177.7228 121 K 4.4839 7.9089 115.7015 56.5064 32.7081 176.9883 122 K 4.1055 7.9621 115.5523 57.2463 34.3496 176.6290 123 D 4.4026 7.1288 122.2909 52.3610 41.8689 174.9323 124 R 3.9902 8.4108 126.5665 58.2548 30.1203 177.0182 125 M 4.3804 7.9073 114.8607 54.4968 32.1993 175.9923 126 W 4.2916 8.4402 130.7298 57.5765 31.9249 176.1104 127 R 4.2095 7.4714 123.6662 57.5880 31.3823 176.2233 128 K 4.8086 6.5306 115.3882 55.3118 33.7913 175.3379 129 N 5.1974 8.6392 117.0155 52.6430 40.1778 176.2039 130 R 4.6584 8.3992 119.1105 56.4405 31.7107 176.0979 131 S 2.7900 8.2629 113.1635 57.4511 64.7508 172.6911 132 L 4.7544 6.8653 120.7726 53.1521 43.9492 175.7010 133 H 4.9657 8.3106 119.4682 53.5396 31.5322 174.5545 134 E 3.9029 9.0537 124.4163 59.3911 29.4760 177.7633 135 K 4.3308 7.9996 114.4545 56.6596 32.4667 175.9024 136 N 4.8923 8.0301 117.5417 51.4478 40.0583 175.3062 137 A 4.1622 8.6323 125.3171 54.1907 18.9608 178.0476 138 C 5.1072 7.8835 111.0423 54.9983 43.4805 173.2778 139 V 4.1708 8.3089 121.0522 63.1260 32.1671 176.6850 140 G 4.2984 8.9199 111.9968 47.5605 0.0000 172.8060 141 T 4.5317 8.8853 117.0080 61.0663 71.6482 173.5249 142 D 4.7818 8.4756 124.2650 53.8126 41.0214 176.7978 143 L 3.9766 8.6887 128.3072 57.6620 41.8686 178.2554 144 N 5.1074 8.4905 115.5984 53.6608 38.5070 175.1432 145 R 4.6485 8.3177 113.0143 55.6749 31.2587 175.5445 146 N 4.7289 7.9895 115.2272 53.3183 39.5544 174.9319 147 F 4.2406 8.1541 115.2797 57.8592 40.2517 174.9480 148 A 4.4213 8.3072 125.2801 51.8251 17.9967 177.0259 149 S 4.5032 7.6340 116.6424 57.2767 64.8384 174.3204 150 K 3.8815 8.1649 119.5303 57.0233 32.2963 177.1525 *1501 H 4.5878 8.5419 116.9153 56.3455 29.0290 173.5107 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 7 S 8.19 4.45 0.00 3.91 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 8 Y 8.21 3.77 0.00 2.97 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 9 Y 8.84 4.40 0.00 2.90 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 10 E 8.19 4.76 0.00 2.17 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 2.53 2.57 0.00 11 Q 7.26 4.39 0.00 1.67 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.17 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 12 Y 8.07 4.51 0.00 3.14 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 13 H 8.51 4.99 0.00 2.91 2.97 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.02 2.79 0.00 3.20 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 15 L 7.59 3.72 0.00 1.73 1.54 0.58 0.36 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 16 N 7.95 4.42 0.00 2.72 2.86 0.00 0.00 7.11 7.66 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 17 E 7.98 4.04 0.00 2.08 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 2.34 2.25 0.00 18 I 7.94 3.80 1.76 0.00 0.00 0.56 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 0.56 0.83 0.00 0.00 19 Y 8.04 4.29 0.00 3.24 2.95 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 0.00 0.00 0.00 20 S 8.28 4.20 0.00 4.16 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 21 W 8.65 4.11 0.00 3.47 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 I 8.17 3.25 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.33 0.74 0.00 0.00 23 E 7.91 3.82 0.00 2.11 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 2.54 2.42 0.00 24 V 7.54 3.88 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 1.32 0.00 0.00 0.88 0.00 0.00 25 M 7.76 3.97 0.00 1.72 1.46 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.48 0.00 26 T 7.65 4.10 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 1.17 0.00 0.00 27 E 7.67 4.01 0.00 2.00 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 0.00 2.23 2.40 0.00 28 R 7.89 3.60 0.00 1.13 0.70 0.00 2.97 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 0.00 29 Y 7.58 4.82 0.00 2.97 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 30 P 0.00 4.35 0.00 2.13 2.13 0.00 3.35 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 31 D 7.97 4.68 0.00 2.65 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 32 M 8.32 5.08 0.00 1.72 1.96 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.10 0.00 33 V 7.81 4.79 2.19 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 0.66 0.00 0.00 0.83 0.00 0.00 34 E 9.15 4.83 0.00 2.06 1.76 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 2.24 2.24 0.00 35 K 8.66 5.00 0.00 1.70 1.66 0.00 0.64 0.00 0.00 1.37 0.00 0.00 2.54 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.24 1.38 7.81 36 I 9.02 4.71 2.05 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 0.88 1.03 0.00 0.00 37 H 9.32 4.58 0.00 3.29 3.24 0.00 5.68 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 38 I 9.52 4.36 1.93 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 1.09 0.00 0.00 39 G 6.51 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.02 4.97 0.00 3.80 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 41 S 9.12 4.57 0.00 4.29 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 0.00 42 Y 8.76 3.99 0.00 2.97 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 43 E 8.82 4.06 0.00 2.25 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 2.41 2.59 0.00 44 K 7.83 3.92 0.00 1.73 1.85 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.12 1.39 7.81 45 Y 7.61 4.77 0.00 3.11 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 46 P 0.00 4.79 0.00 1.79 2.06 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 47 L 8.44 4.82 0.00 1.59 1.63 1.00 1.20 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 48 Y 8.77 5.32 0.00 2.96 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 49 V 8.94 4.59 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 1.14 0.00 0.00 1.14 0.00 0.00 50 L 9.06 5.13 0.00 1.62 1.57 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 K 9.25 4.71 0.00 1.98 1.73 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.66 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 0.81 7.81 52 V 9.03 4.98 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 1.02 0.00 0.00 1.00 0.00 0.00 53 S 9.04 4.89 0.00 3.92 3.86 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 54 K 8.67 3.38 0.00 1.81 1.91 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.49 7.81 *59 K 7.71 4.15 0.00 1.76 1.89 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.55 7.81 60 N 7.98 4.78 0.00 2.67 2.71 0.00 0.00 6.64 7.11 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 61 A 8.35 5.07 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 62 M 8.31 4.75 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 63 W 9.02 5.35 0.00 3.59 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 64 I 8.50 4.73 1.65 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 0.95 0.00 0.00 65 D 8.88 5.29 0.00 2.79 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 66 C 8.71 4.97 0.00 2.97 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 67 G 9.10 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.15 3.75 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 0.84 0.00 0.00 69 H 8.04 5.20 0.00 3.57 3.22 0.00 5.70 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 70 A 8.80 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.84 4.21 0.00 1.84 2.30 0.00 3.01 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 72 E 8.15 4.45 0.00 2.37 2.05 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 2.36 2.36 0.00 73 W 8.04 4.57 0.00 2.91 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 74 I 8.04 4.16 2.08 0.00 0.00 1.00 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 1.34 1.01 0.00 0.00 75 S 8.45 4.19 0.00 4.03 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 76 P 0.00 4.43 0.00 2.02 1.87 0.00 4.22 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 77 A 8.06 4.08 1.59 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 0.00 0.00 78 F 8.45 4.07 0.00 3.27 3.35 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 79 C 8.18 4.24 0.00 3.14 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 80 L 7.98 3.55 0.00 1.71 1.61 0.52 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 81 W 8.36 3.85 0.00 3.54 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 82 F 8.22 3.72 0.00 2.54 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 83 V 8.11 3.73 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 0.92 0.00 0.00 1.26 0.00 0.00 84 G 8.44 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 0.00 0.00 0.00 85 S 7.72 3.98 0.00 3.68 3.76 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 86 V 7.19 3.57 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 -0.12 0.00 0.00 0.65 0.00 0.00 87 T 7.43 3.65 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 0.79 0.00 0.00 88 Y 7.31 3.57 0.00 2.83 2.39 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 89 Y 7.75 4.55 0.00 3.24 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 90 Y 6.95 3.99 0.00 3.16 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 91 G 8.07 3.59 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 0.00 0.00 0.00 92 K 7.74 4.34 0.00 1.98 1.89 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.58 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.37 7.81 *98 N 8.00 4.81 0.00 2.91 3.09 0.00 0.00 6.26 6.67 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 99 L 8.12 4.14 0.00 1.65 1.87 0.68 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.99 4.79 0.00 1.95 1.80 0.74 1.13 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 0.00 101 K 7.77 3.92 0.00 1.68 2.03 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.14 7.81 102 H 8.07 5.05 0.00 3.15 3.24 0.00 5.94 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 M 7.94 4.88 0.00 2.08 1.78 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.48 0.00 104 D 8.73 4.94 0.00 2.42 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 0.00 105 F 8.99 5.17 0.00 2.98 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 0.00 106 Y 9.09 5.07 0.00 3.13 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 0.00 107 I 8.94 4.48 1.88 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.00 0.87 0.00 0.00 108 M 8.26 4.75 0.00 1.86 1.13 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 109 P 0.00 4.14 0.00 2.22 2.38 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 110 V 7.30 4.36 1.90 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 0.58 0.00 0.00 0.47 0.00 0.00 111 V 8.81 3.80 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 0.96 0.00 0.00 1.13 0.00 0.00 112 N 8.01 4.91 0.00 3.10 3.06 0.00 0.00 7.26 7.60 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 0.00 113 V 7.81 3.76 2.19 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 0.80 0.00 0.00 1.19 0.00 0.00 114 D 8.40 4.73 0.00 2.87 2.88 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 0.00 115 G 8.64 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 0.00 116 Y 8.60 4.39 0.00 3.27 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 0.00 117 D 8.53 4.29 0.00 2.86 2.95 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 0.00 0.00 0.00 118 Y 8.28 4.11 0.00 3.22 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 0.00 119 T 8.62 4.19 4.54 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 1.74 0.00 0.00 120 W 8.05 3.98 0.00 3.28 3.34 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 0.00 121 K 7.91 4.48 0.00 1.72 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.70 7.81 122 K 7.96 4.11 0.00 0.79 1.12 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.18 1.12 7.81 123 D 7.13 4.40 0.00 2.52 2.54 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 0.00 124 R 8.41 3.99 0.00 1.58 1.79 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.25 0.00 125 M 7.91 4.38 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 126 W 8.44 4.29 0.00 3.84 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 0.00 127 R 7.47 4.21 0.00 1.67 1.49 0.00 3.03 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.37 0.00 128 K 6.53 4.81 0.00 1.46 1.91 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.65 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.00 7.81 129 N 8.64 5.20 0.00 2.90 3.12 0.00 0.00 7.19 7.25 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 0.00 130 R 8.40 4.66 0.00 1.66 1.73 0.00 2.54 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.29 0.00 131 S 8.26 2.79 0.00 3.18 3.61 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 0.00 0.00 0.00 132 L 6.87 4.75 0.00 1.60 1.57 0.84 1.03 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 0.00 133 H 8.31 4.97 0.00 3.32 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 9.05 3.90 0.00 1.96 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 2.31 2.37 0.00 135 K 8.00 4.33 0.00 1.79 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.47 7.81 136 N 8.03 4.89 0.00 2.87 2.87 0.00 0.00 6.89 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 0.00 137 A 8.63 4.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 C 7.88 5.11 0.00 2.97 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.31 4.17 2.12 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 0.73 0.00 0.00 0.88 0.00 0.00 140 G 8.92 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 0.00 0.00 0.00 0.00 141 T 8.89 4.53 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 142 D 8.48 4.78 0.00 2.65 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 0.00 143 L 8.69 3.98 0.00 1.87 1.84 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.49 5.11 0.00 2.67 2.90 0.00 0.00 6.99 7.25 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 0.00 145 R 8.32 4.65 0.00 1.92 1.91 0.00 3.38 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 146 N 7.99 4.73 0.00 2.78 2.78 0.00 0.00 7.14 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 F 8.15 4.24 0.00 3.04 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 0.00 148 A 8.31 4.42 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 0.00 149 S 7.63 4.50 0.00 4.01 3.95 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 0.00 0.00 0.00 150 K 8.16 3.88 0.00 1.71 1.55 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 *1501 H 8.54 4.59 0.00 3.29 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.