NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3596 0.0000 0.0000 61.9823 32.6515 175.8416 3 K 3.8429 8.3139 121.0338 55.4174 32.9526 175.8667 4 A 4.1650 9.2623 127.7374 52.0379 21.1603 178.0927 5 N 4.1956 8.6692 119.7589 56.3405 38.6239 177.5082 6 L 3.8267 7.8723 121.1283 58.2786 42.1239 178.5721 7 E 3.7895 7.9961 118.5496 59.0937 29.3695 178.6856 8 I 3.5816 7.6162 119.1891 64.4281 37.4872 178.1601 9 I 3.3839 7.7048 120.7057 64.3040 36.8619 178.6765 10 R 4.0474 8.2951 120.8170 58.5569 29.6808 178.9474 11 S 4.2454 8.2048 113.4842 60.4381 62.6994 175.5542 12 T 4.4123 7.6780 112.2469 62.7123 69.0808 174.6514 13 Y 4.8258 8.0447 118.1721 59.1785 40.3493 176.3220 14 E 4.4940 8.5193 116.1007 56.6182 30.3849 175.9256 15 G 4.4805 8.0710 109.3409 43.6832 0.0000 173.5786 16 S 4.3965 7.9533 114.7468 57.9266 65.0400 174.7910 17 A 4.0800 8.5923 124.1262 55.4564 18.1323 180.1730 18 S 4.0745 8.0018 112.4827 61.5082 63.1642 176.7693 19 S 3.9919 8.1471 118.0355 61.0734 62.8214 175.9608 20 N 4.6068 8.8239 121.8930 55.4371 38.3727 177.2205 21 A 3.7655 7.9466 121.8645 54.8042 18.4070 179.6819 22 K 3.8143 7.8745 117.9698 59.8916 32.0812 178.7247 23 H 4.1922 8.0248 115.5860 58.7613 28.9172 177.2609 24 L 4.0423 8.0220 121.7095 58.2215 41.7650 178.7802 25 A 3.9687 7.9185 120.6319 55.3785 18.0305 179.4824 26 E 3.7804 8.1733 115.7933 58.7065 29.8059 178.4461 27 A 4.4799 7.8948 119.6689 51.6501 19.7384 176.9681 28 L 4.5947 6.9850 118.1707 54.4235 42.2480 177.4763 29 S 4.4226 8.9510 118.4156 57.7158 63.8695 174.7869 30 E 3.9774 8.9085 122.6846 58.9867 29.3664 177.7789 31 K 4.8626 7.7296 116.9448 55.2591 32.9613 177.1856 32 V 3.9497 7.7849 119.5542 62.8125 32.6345 174.6740 33 E 5.0579 9.1896 123.8069 54.5766 31.6403 174.6848 34 W 5.1636 9.5109 135.0000 56.0142 33.4156 174.1939 35 T 5.1060 8.8925 125.2659 61.9354 70.3984 173.6361 36 E 4.8309 9.2991 126.6575 54.8365 31.6322 176.3181 37 A 4.1562 9.2733 126.6563 52.1683 19.2078 178.3024 38 E 3.9274 8.9827 122.7080 59.3945 29.6877 178.6841 39 G 3.7593 7.9743 104.9685 47.0686 0.0000 173.5845 40 F 4.3718 8.0590 123.2478 56.9366 39.9617 174.3543 41 P 4.0111 0.0000 0.0000 65.2351 31.0263 176.6169 42 Y 5.0044 7.0960 114.9658 57.4112 38.2053 175.6912 43 G 3.8802 8.1343 109.1606 46.0667 0.0000 173.9118 44 G 4.1176 7.2730 108.8027 43.5371 0.0000 171.5966 45 T 4.8829 7.3751 116.5517 61.7054 70.7402 173.8698 46 Y 4.8959 9.1384 123.6317 56.1937 41.7216 174.5490 47 I 4.8506 8.8253 124.0515 60.9778 39.3981 176.6568 48 G 4.1661 9.3209 112.6347 45.3978 0.0000 174.3803 49 V 3.5516 8.2866 119.6778 64.6321 31.4720 177.6729 50 E 3.9864 8.1376 118.5771 58.8589 29.7954 178.0854 51 A 4.0674 7.9911 121.4190 55.2626 18.8434 179.7418 52 I 3.4763 7.4442 113.1467 62.0261 36.4364 177.5599 *54 E 4.0760 8.2530 122.7654 56.1392 30.8201 176.4791 55 N 4.3047 7.7002 113.4515 53.7745 38.6640 174.5207 56 V 3.8546 6.4721 115.4750 63.6670 34.8292 177.3121 57 F 3.9693 7.5103 117.7197 60.4103 39.1779 177.8408 58 S 4.1307 7.9023 113.5260 61.4921 62.6805 176.6882 59 R 3.9173 7.3993 122.4329 58.1443 29.6180 178.5796 60 L 4.1332 7.6270 118.2307 57.6932 41.5809 179.6413 61 G 3.8130 7.9565 105.1679 47.7978 0.0000 175.6155 62 S 4.4059 8.3070 116.7328 60.0069 63.4840 175.3942 63 E 4.2280 8.5864 120.4755 55.3110 29.8224 175.5590 64 W 5.5002 7.4804 117.5874 54.8331 33.3658 173.9273 65 N 4.9571 9.4733 119.1715 53.0803 39.4894 175.3589 66 D 4.6581 8.9923 122.2772 55.2108 38.4749 173.5193 67 Y 4.2108 8.4034 119.5395 58.0417 39.6261 175.2088 68 K 4.8984 8.7972 127.0619 54.6682 36.3274 174.4292 69 A 5.4235 9.1189 128.0729 50.3911 20.9082 175.1819 70 S 4.7097 8.9061 117.5059 56.6613 65.1149 172.7437 71 V 3.9831 8.3153 127.4038 61.9236 32.0866 175.0897 72 N 4.5764 8.7113 124.2833 53.7614 39.3355 174.4574 *74 Y 4.5949 7.6200 116.8351 58.1638 39.9701 173.6183 75 H 5.0300 9.2785 119.9140 54.0855 32.5586 172.3000 76 E 4.7511 8.8867 122.6460 55.0382 30.7660 175.6684 77 V 4.0489 8.3910 125.6449 61.6280 33.0938 175.3617 78 S 4.0675 8.6706 123.2182 59.6404 62.6817 173.9952 79 G 3.9686 9.3837 115.1252 45.6111 0.0000 172.4991 80 K 4.7025 7.5795 117.3240 54.9029 36.7490 176.7163 81 D 4.8390 8.3186 121.2870 53.1470 39.2319 175.3993 82 V 4.9967 7.5399 119.3989 61.0105 35.8474 174.2114 83 I 5.1602 9.0125 127.7777 59.6244 40.5054 174.3196 84 I 5.0973 9.0286 127.4478 59.5094 39.9520 174.2313 85 A 4.8080 9.3415 129.5102 50.1477 21.5552 174.8429 86 E 4.5880 8.4264 122.3895 54.1943 31.4967 173.9013 87 G 2.8672 7.6839 114.8399 45.2525 0.0000 173.3110 *89 Y 5.4341 8.5943 122.7494 58.1646 39.7242 173.3509 90 S 4.2252 7.4468 114.5224 56.4691 67.2981 173.2043 91 G 4.4825 6.8491 108.0239 46.5838 0.0000 171.0615 92 V 5.3244 8.3737 119.6910 61.0863 34.4270 174.0456 93 Y 4.1146 9.1804 129.6467 56.6362 38.9223 176.0537 94 K 3.8251 8.0633 127.6401 59.6736 32.3690 179.2248 95 D 4.2732 7.0019 117.2706 56.4947 40.8839 177.1005 96 T 4.2701 7.2656 104.3862 60.7251 70.0445 175.8325 97 G 3.9338 8.2739 109.2757 45.5746 0.0000 173.1987 98 K 4.6044 7.9288 120.0686 55.4508 33.4949 176.5807 99 S 5.4730 8.7719 119.2954 57.8242 64.9742 172.8666 100 F 5.2031 9.0138 115.3048 55.6265 41.8919 172.9194 101 E 4.8665 8.8176 117.2132 54.6335 33.1104 175.3195 102 A 4.8653 8.8602 124.6870 50.6303 22.6532 175.8474 103 E 4.4331 9.0213 122.2986 56.1213 31.1390 175.8354 104 F 5.4617 8.5275 117.3731 55.1412 42.1873 173.4795 105 V 4.9357 8.9379 119.2679 61.5362 34.5816 173.7438 106 H 5.1305 9.5207 124.9031 53.9457 31.7219 173.1765 107 V 4.5467 8.1243 123.6139 61.0665 33.4282 174.1604 108 W 5.3826 9.3049 128.5711 54.9908 31.8248 174.8228 109 Q 5.2069 9.4195 125.2992 54.3624 31.5486 174.0784 110 L 5.4446 8.9360 125.1275 52.9649 45.8526 175.7018 111 E 4.4909 8.9601 121.6151 55.5098 32.0218 175.2966 112 N 4.2648 10.0019 125.1928 54.7302 37.4592 174.6887 113 G 4.0671 8.4680 101.9362 45.1945 0.0000 173.9459 114 K 4.6730 7.7502 119.3371 54.4317 34.1520 175.5831 115 I 4.5904 8.8659 124.2185 61.6051 37.5909 176.7791 116 V 4.3132 9.0298 120.6024 60.9825 33.9943 176.0866 117 K 5.3269 7.9658 118.6221 54.9024 36.8581 174.9059 118 F 4.7693 9.0451 125.0273 56.1671 43.0252 173.2710 119 K 4.3601 7.3664 125.6404 54.4160 35.5242 174.3389 120 Q 4.4979 8.1354 128.9799 54.9059 30.3757 174.1189 121 Y 4.8685 9.0578 124.3767 56.1860 40.9343 175.0963 122 V 4.9186 8.2321 121.8584 59.3224 34.7023 175.5627 123 D 4.7928 8.9283 123.4382 54.1932 37.6361 177.0541 124 S 4.3259 8.1663 119.0316 61.0073 63.5207 175.7300 125 H 4.0982 8.4097 121.7837 59.4900 29.2558 176.9480 126 L 3.9874 7.7053 119.2461 57.4562 41.6008 179.3003 127 V 3.0304 7.6506 117.8588 65.9498 31.3191 178.2440 128 R 3.7675 7.8711 116.6413 59.1306 29.9041 178.5932 129 E 4.0471 8.1314 117.7482 58.8027 29.7202 179.0858 130 A 4.3021 7.4383 121.5931 50.7386 18.6915 177.5851 *132 K 3.9694 7.6395 120.5886 57.2232 33.5889 176.6955 133 S 4.3134 8.6628 117.0170 58.6185 63.0329 173.9547 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 P 0.00 4.36 0.00 2.19 2.12 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 3 K 8.31 3.84 0.00 2.05 1.71 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.07 7.81 4 A 9.26 4.16 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 5 N 8.67 4.20 0.00 2.74 2.88 0.00 0.00 6.59 6.74 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 6 L 7.87 3.83 0.00 1.69 1.59 0.73 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.00 3.79 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 8 I 7.62 3.58 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.82 0.00 0.00 9 I 7.70 3.38 1.68 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.53 0.00 0.00 10 R 8.30 4.05 0.00 1.75 1.82 0.00 2.68 0.00 0.00 3.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 11 S 8.20 4.25 0.00 3.70 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 0.00 12 T 7.68 4.41 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 1.00 0.00 0.00 13 Y 8.04 4.83 0.00 3.13 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 14 E 8.52 4.49 0.00 2.03 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 0.00 2.63 2.32 0.00 15 G 8.07 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.40 0.00 4.04 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 17 A 8.59 4.08 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 18 S 8.00 4.07 0.00 4.03 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 0.00 19 S 8.15 3.99 0.00 4.05 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 20 N 8.82 4.61 0.00 2.94 3.08 0.00 0.00 6.47 6.72 0.00 0.00 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 A 7.95 3.77 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 22 K 7.87 3.81 0.00 1.78 1.89 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.41 7.81 23 H 8.02 4.19 0.00 3.33 3.27 0.00 5.73 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 24 L 8.02 4.04 0.00 1.76 1.64 1.27 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.92 3.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.17 3.78 0.00 2.18 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 2.33 2.41 0.00 27 A 7.89 4.48 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 28 L 6.99 4.59 0.00 1.78 1.72 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.95 4.42 0.00 4.04 4.06 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 30 E 8.91 3.98 0.00 1.97 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 0.00 2.32 2.37 0.00 31 K 7.73 4.86 0.00 1.69 1.81 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.43 7.81 32 V 7.78 3.95 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.26 0.00 0.00 33 E 9.19 5.06 0.00 2.01 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 2.29 2.47 0.00 34 W 9.51 5.16 0.00 3.58 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 35 T 8.89 5.11 4.06 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 1.08 0.00 0.00 36 E 9.30 4.83 0.00 2.28 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 2.82 2.93 0.00 37 A 9.27 4.16 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 38 E 8.98 3.93 0.00 1.92 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 2.30 2.33 0.00 39 G 7.97 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 0.00 0.00 0.00 40 F 8.06 4.37 0.00 3.02 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 41 P 0.00 4.01 0.00 1.35 1.74 0.00 2.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.26 0.00 42 Y 7.10 5.00 0.00 3.18 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 43 G 8.13 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 0.00 0.00 0.00 44 G 7.27 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 0.00 0.00 0.00 0.00 45 T 7.38 4.88 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 1.20 0.00 0.00 46 Y 9.14 4.90 0.00 2.93 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 47 I 8.83 4.85 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.97 0.00 0.00 48 G 9.32 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.29 3.55 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 0.73 0.00 0.00 0.83 0.00 0.00 50 E 8.14 3.99 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 2.27 2.28 0.00 51 A 7.99 4.07 1.37 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 52 I 7.44 3.48 1.68 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.58 -0.15 0.00 0.00 *54 E 8.25 4.08 0.00 1.86 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 0.00 2.08 2.25 0.00 55 N 7.70 4.30 0.00 1.79 2.23 0.00 0.00 6.80 7.23 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 56 V 6.47 3.85 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 0.51 0.00 0.00 0.53 0.00 0.00 57 F 7.51 3.97 0.00 2.94 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 58 S 7.90 4.13 0.00 3.97 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 59 R 7.40 3.92 0.00 0.80 1.44 0.00 3.15 0.00 0.00 2.67 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.14 0.00 60 L 7.63 4.13 0.00 1.67 1.44 0.50 -0.31 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 61 G 7.96 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 62 S 8.31 4.41 0.00 4.05 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 63 E 8.59 4.23 0.00 2.23 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.43 0.00 64 W 7.48 5.50 0.00 3.67 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 9.47 4.96 0.00 2.82 2.83 0.00 0.00 7.14 7.92 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 66 D 8.99 4.66 0.00 2.91 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 67 Y 8.40 4.21 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.80 4.90 0.00 2.06 1.54 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.32 1.25 7.81 69 A 9.12 5.42 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.91 4.71 0.00 3.91 3.67 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 71 V 8.32 3.98 1.54 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 -0.50 0.00 0.00 -0.07 0.00 0.00 72 N 8.71 4.58 0.00 2.35 2.66 0.00 0.00 7.03 7.33 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 *74 Y 7.62 4.59 0.00 2.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 9.28 5.03 0.00 3.05 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.89 4.75 0.00 1.88 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 2.28 2.32 0.00 77 V 8.39 4.05 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 0.92 0.00 0.00 0.96 0.00 0.00 78 S 8.67 4.07 0.00 3.88 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 79 G 9.38 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 0.00 0.00 0.00 80 K 7.58 4.70 0.00 1.68 1.70 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 81 D 8.32 4.84 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.54 5.00 2.13 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 1.12 0.00 0.00 0.98 0.00 0.00 83 I 9.01 5.16 2.06 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 1.32 0.96 1.17 0.00 0.00 84 I 9.03 5.10 1.95 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 1.22 0.93 0.92 0.00 0.00 85 A 9.34 4.81 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 86 E 8.43 4.59 0.00 1.72 1.63 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 2.22 2.27 0.00 87 G 7.68 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 Y 8.59 5.43 0.00 3.29 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 90 S 7.45 4.23 0.00 3.57 3.65 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 91 G 6.85 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 5.32 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 1.08 0.00 0.00 1.05 0.00 0.00 93 Y 9.18 4.11 0.00 2.55 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 94 K 8.06 3.83 0.00 1.49 1.66 0.00 1.75 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.41 7.81 95 D 7.00 4.27 0.00 2.33 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 96 T 7.27 4.27 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 97 G 8.27 3.93 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 0.00 0.00 0.00 98 K 7.93 4.60 0.00 2.05 1.84 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.60 7.81 99 S 8.77 5.47 0.00 3.93 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 0.00 100 F 9.01 5.20 0.00 3.17 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 0.00 101 E 8.82 4.87 0.00 1.81 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 102 A 8.86 4.87 1.62 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 0.00 103 E 9.02 4.43 0.00 1.93 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 0.00 2.26 2.27 0.00 104 F 8.53 5.46 0.00 3.00 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 0.00 105 V 8.94 4.94 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 1.00 0.00 0.00 0.82 0.00 0.00 106 H 9.52 5.13 0.00 3.39 2.70 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.12 4.55 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 0.98 0.00 0.00 0.96 0.00 0.00 108 W 9.30 5.38 0.00 3.49 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 0.00 109 Q 9.42 5.21 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 110 L 8.94 5.44 0.00 1.56 1.63 1.07 0.79 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 0.00 111 E 8.96 4.49 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 112 N 10.00 4.26 0.00 2.84 2.84 0.00 0.00 7.26 7.98 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 0.00 113 G 8.47 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 0.00 0.00 0.00 0.00 114 K 7.75 4.67 0.00 1.94 1.77 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.56 7.81 115 I 8.87 4.59 2.11 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 0.79 1.41 0.00 0.00 116 V 9.03 4.31 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 1.20 0.00 0.00 1.04 0.00 0.00 117 K 7.97 5.33 0.00 1.70 1.63 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.49 7.81 118 F 9.05 4.77 0.00 2.13 1.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.37 4.36 0.00 1.50 1.23 0.00 1.45 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.50 0.88 7.81 120 Q 8.14 4.50 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.35 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 121 Y 9.06 4.87 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.23 4.92 2.29 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 0.65 0.00 0.00 1.35 0.00 0.00 123 D 8.93 4.79 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.17 4.33 0.00 4.31 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 0.00 125 H 8.41 4.10 0.00 3.28 3.42 0.00 5.86 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 0.00 126 L 7.71 3.99 0.00 1.92 1.87 1.15 1.19 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 0.00 127 V 7.65 3.03 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 0.54 0.00 0.00 0.88 0.00 0.00 128 R 7.87 3.77 0.00 1.88 1.89 0.00 3.29 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 129 E 8.13 4.05 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 130 A 7.44 4.30 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 *132 K 7.64 3.97 0.00 1.96 1.79 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.39 7.81 133 S 8.66 4.31 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.