NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3742 8.2649 123.5701 52.2464 20.0203 176.4025 2 F 4.2419 8.9398 118.9243 56.8724 39.0083 173.7371 3 A 4.3999 8.2465 125.1906 53.6203 19.3461 177.3878 4 G 4.1519 9.5874 112.0601 46.1236 0.0000 175.2158 5 I 3.6210 7.7076 114.9326 63.1234 37.3788 176.7829 6 L 4.5304 7.4721 118.4984 53.9255 41.7423 176.5221 7 A 4.7429 7.9686 121.3819 52.2336 18.9417 177.3225 8 D 4.5330 8.2265 118.1675 51.4033 42.3095 176.1385 9 A 3.9820 8.7216 120.0777 55.6303 18.0920 179.4074 10 D 4.2279 7.9829 116.4424 57.9434 41.1104 179.7560 11 C 4.0742 9.4096 117.1891 59.7322 40.3627 176.0636 12 A 3.9808 8.3432 122.4949 55.1232 17.9618 179.5721 13 A 3.9033 8.0821 119.0789 55.0394 18.1629 179.7483 14 A 3.7771 7.7776 119.1446 55.0247 18.5533 179.7683 15 V 3.9645 7.8065 116.9918 66.0216 31.5419 178.1355 16 K 3.9341 8.4211 119.5028 59.5236 31.8330 178.4902 17 A 4.1845 8.0276 119.8591 53.7361 18.5616 177.1402 18 C 5.0805 7.6534 111.9562 56.6782 30.1953 175.6088 19 E 4.0599 8.1674 121.9029 60.3632 29.1501 178.3064 20 A 4.2622 7.8468 120.8778 50.9462 19.4811 176.4350 21 A 4.1324 8.3630 124.6699 53.8362 18.8774 177.2894 22 D 4.7360 9.1149 121.0339 55.4324 37.6880 174.9376 23 S 4.6691 7.8501 111.3050 57.8771 64.0336 173.4180 24 F 4.5760 8.4382 124.5104 57.8208 40.0597 175.3663 25 S 3.9789 7.3420 121.3960 55.5622 66.3692 174.5856 26 Y 3.3097 7.7705 124.6488 59.8058 37.6642 178.9338 27 K 3.6072 6.6432 119.3131 59.0554 32.1174 179.0873 28 A 3.9018 7.4949 120.5022 54.8086 18.2766 179.0848 29 F 3.8315 7.9195 119.3797 61.6900 39.5133 177.5287 30 F 4.4020 8.5852 117.3077 60.3374 38.4390 177.6136 31 A 4.0142 7.7570 119.7460 54.5986 18.1700 178.9706 32 K 4.0352 7.2028 116.5943 59.1488 32.6412 177.7811 33 C 4.3488 7.6850 117.9473 57.5804 42.9987 174.4372 34 G 3.9651 8.2834 107.6783 45.8153 0.0000 175.2790 35 L 4.2872 8.0971 122.3926 57.2400 42.1075 179.4754 36 S 4.7064 7.8740 112.1708 60.6116 62.6982 175.2098 37 G 4.0148 7.6201 106.5701 45.1206 0.0000 173.5183 38 K 4.5348 7.7004 119.3625 54.3863 34.0536 177.3362 39 S 4.4112 8.2821 115.2048 58.0767 65.0333 175.0011 40 A 4.0662 8.5867 124.3906 55.4523 17.9309 180.0323 41 D 4.3501 8.0268 116.9728 57.7764 41.1425 178.4877 42 D 4.4992 8.2729 119.1552 57.3699 40.8395 178.9766 43 I 4.1870 7.9558 120.5618 64.1049 37.1900 178.3734 44 K 4.2393 8.0024 119.6283 58.7810 31.8807 179.1558 45 K 3.8967 8.5889 120.3341 59.6478 32.1257 178.5245 46 A 4.1270 8.0943 120.4850 55.2135 18.2886 179.3230 47 F 3.2001 8.1497 118.5135 61.4331 39.2285 177.9058 48 V 3.7055 8.4259 113.3207 64.8227 31.3435 178.9641 *49 F 4.4408 8.1947 120.3123 61.8331 37.9689 180.9070 50 I 3.8597 7.4760 119.2414 63.2384 38.5316 177.4966 51 D 4.5234 7.6388 120.5101 53.6827 36.6909 176.7571 52 Q 3.9964 7.5950 120.2099 58.0091 29.4330 177.6512 53 D 4.7816 7.7104 115.5619 52.1122 39.5825 176.1355 54 K 3.8683 7.8837 117.4725 57.9660 29.9113 176.3860 55 S 4.3889 8.3918 112.4866 58.6455 63.5500 175.0637 56 G 4.0466 8.6098 109.9311 45.1170 0.0000 173.2941 57 F 5.1695 7.4986 115.7115 55.6858 43.0481 174.5828 58 I 4.2853 9.4287 123.5740 60.3534 38.4749 175.5026 59 E 4.6225 8.9811 127.0045 54.8655 31.6831 177.1851 60 E 3.8525 8.8761 120.7190 60.0003 29.1787 179.6086 61 D 4.3425 7.9005 117.3588 56.4653 39.7165 178.0087 62 E 3.9993 7.8461 119.4609 58.7980 29.5078 178.7731 63 L 3.7883 7.6912 119.2025 57.7099 41.5760 179.4777 64 K 3.9109 8.1202 119.3235 58.8686 31.9511 177.7176 65 L 4.4755 7.3795 117.3047 54.4084 41.6484 177.8286 66 F 4.2060 8.2393 124.0529 61.8088 39.2507 177.3757 67 L 3.9107 7.9000 117.6527 57.7549 41.4406 179.1383 68 Q 4.7151 7.9035 118.4140 57.6342 28.5937 178.6503 69 V 3.6994 7.7194 120.1680 65.2353 31.5790 177.1667 70 F 4.4818 7.9502 115.4563 57.6516 40.3291 175.3202 71 K 4.6695 8.5630 122.2301 55.0505 35.0989 175.6101 72 A 3.9569 8.7920 130.3882 55.3801 18.3222 179.3968 73 G 4.0528 7.7912 101.7722 45.4164 0.0000 173.8688 74 A 4.2917 7.8437 122.2574 51.0669 19.2874 178.2916 75 R 4.2628 8.1450 115.7913 55.2833 30.7294 176.2907 76 A 4.3977 8.1547 120.5315 51.5773 19.2134 177.5652 77 L 4.3065 8.5688 121.3753 54.9081 42.4842 177.5739 78 T 4.1474 9.3933 113.4258 61.4109 70.1499 175.1320 79 D 4.3495 8.9823 121.4814 57.6283 40.5995 179.0751 80 A 4.0143 7.9910 120.4507 55.2081 18.4697 179.3570 81 E 4.0266 8.2080 116.9216 60.1143 29.5867 179.4663 82 T 3.9827 8.1816 115.9296 66.9744 68.5383 176.3866 83 K 3.9940 8.1590 120.9037 59.0957 32.2396 178.6675 84 A 4.2142 8.0479 121.0851 54.3838 18.5905 179.3947 85 F 4.2762 8.5201 119.5247 61.5674 39.5934 177.0611 86 L 3.9008 8.2015 120.0889 58.1325 41.6706 178.8862 87 K 4.0709 8.0317 118.1964 59.4217 32.1919 178.3870 88 A 4.2969 8.1958 120.6010 54.6249 18.3939 179.1252 89 G 3.8435 7.7898 102.3820 45.7958 0.0000 174.8943 90 D 4.7335 8.2206 122.1113 53.1800 38.3335 175.7306 91 S 4.2814 8.0443 117.5236 60.6215 63.8486 175.9911 92 D 4.4656 8.7341 118.7109 53.1745 39.6481 176.9120 93 G 3.8658 8.3085 108.3248 46.6577 0.0000 173.8866 94 D 4.4869 8.1769 117.1873 52.8733 39.5876 177.4562 95 G 3.8284 9.1886 108.9045 45.4069 0.0000 172.7120 96 A 4.7760 7.8277 120.8433 50.2033 22.2313 175.4066 97 I 4.5966 9.0469 120.4777 59.8153 38.4135 176.7315 98 G 4.4443 9.0788 114.1396 43.3763 0.0000 173.5257 99 V 2.7254 7.5912 119.2505 64.4525 31.2675 178.1042 100 E 3.9817 7.9389 117.8899 59.0611 29.6285 178.8256 101 E 4.0108 8.1472 119.1437 58.7370 29.5524 178.6232 102 W 4.3278 8.2509 128.4677 60.8099 30.8365 178.1314 103 V 3.3182 7.8413 117.2580 65.8820 30.9429 177.7965 104 A 3.9522 7.8177 120.0459 55.0770 17.9642 179.4034 105 L 3.9334 7.4598 118.0284 58.1230 42.4268 179.0515 106 V 2.9338 7.3576 118.3486 64.2524 32.3852 175.7088 107 K 4.7683 7.5641 116.0593 54.5059 32.6017 176.0201 108 A 4.9301 7.7232 123.9262 51.9612 18.2711 177.7981 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.37 1.30 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 2 F 8.94 4.24 0.00 3.06 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 3 A 8.25 4.40 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 4 G 9.59 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 0.00 0.00 0.00 5 I 7.71 3.62 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 0.83 0.00 0.00 6 L 7.47 4.53 0.00 1.06 1.51 0.66 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.97 4.74 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 8 D 8.23 4.53 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.72 3.98 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 10 D 7.98 4.23 0.00 2.70 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 11 C 9.41 4.07 0.00 3.22 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 12 A 8.34 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.08 3.90 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 14 A 7.78 3.78 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.96 2.33 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 1.08 0.00 0.00 1.35 0.00 0.00 16 K 8.42 3.93 0.00 2.07 1.81 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.69 7.81 17 A 8.03 4.18 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 C 7.65 5.08 0.00 3.27 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 19 E 8.17 4.06 0.00 1.96 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 2.38 2.42 0.00 20 A 7.85 4.26 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 21 A 8.36 4.13 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 22 D 9.11 4.74 0.00 2.90 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 23 S 7.85 4.67 0.00 4.05 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 24 F 8.44 4.58 0.00 3.00 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 25 S 7.34 3.98 0.00 3.67 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 26 Y 7.77 3.31 0.00 2.58 2.14 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 27 K 6.64 3.61 0.00 1.25 1.58 0.00 1.36 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 0.21 7.81 28 A 7.49 3.90 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 29 F 7.92 3.83 0.00 2.96 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 30 F 8.59 4.40 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 31 A 7.76 4.01 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.20 4.04 0.00 1.74 1.58 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.35 7.81 33 C 7.68 4.35 0.00 2.26 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 34 G 8.28 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 35 L 8.10 4.29 0.00 2.11 1.83 1.34 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.87 4.71 0.00 3.95 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 37 G 7.62 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.70 4.53 0.00 2.05 1.84 0.00 1.78 0.00 0.00 1.93 0.00 0.00 3.13 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.62 1.64 7.81 39 S 8.28 4.41 0.00 4.07 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 40 A 8.59 4.07 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 41 D 8.03 4.35 0.00 2.74 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 42 D 8.27 4.50 0.00 3.08 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 43 I 7.96 4.19 2.21 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.19 1.13 0.00 0.00 44 K 8.00 4.24 0.00 1.95 1.90 0.00 1.71 0.00 0.00 1.58 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.85 7.81 45 K 8.59 3.90 0.00 1.87 2.10 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.52 7.81 46 A 8.09 4.13 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 0.00 0.00 0.00 0.00 0.00 47 F 8.15 3.20 0.00 2.68 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.43 3.71 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 0.86 0.00 0.00 1.10 0.00 0.00 *49 F 8.19 4.44 0.00 2.36 2.20 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 50 I 7.48 3.86 1.45 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.89 0.67 0.00 0.00 51 D 7.64 4.52 0.00 1.96 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 0.00 0.00 0.00 52 Q 7.59 4.00 0.00 1.82 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.42 0.00 53 D 7.71 4.78 0.00 2.70 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 0.00 54 K 7.88 3.87 0.00 1.95 1.94 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.51 7.81 55 S 8.39 4.39 0.00 4.09 4.19 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 56 G 8.61 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.50 5.17 0.00 3.01 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 58 I 9.43 4.29 1.83 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.01 0.68 0.00 0.00 59 E 8.98 4.62 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 60 E 8.88 3.85 0.00 1.95 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 2.36 2.34 0.00 61 D 7.90 4.34 0.00 2.77 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 62 E 7.85 4.00 0.00 1.96 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 2.22 2.26 0.00 63 L 7.69 3.79 0.00 1.63 1.41 0.52 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.12 3.91 0.00 1.93 1.86 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.52 7.81 65 L 7.38 4.48 0.00 1.75 1.58 0.87 1.23 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 66 F 8.24 4.21 0.00 3.24 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 67 L 7.90 3.91 0.00 1.85 1.72 0.85 0.88 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 68 Q 7.90 4.72 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 69 V 7.72 3.70 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 0.19 0.00 0.00 0.80 0.00 0.00 70 F 7.95 4.48 0.00 3.28 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 71 K 8.56 4.67 0.00 1.84 1.68 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.43 7.81 72 A 8.79 3.96 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 73 G 7.79 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.84 4.29 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 75 R 8.15 4.26 0.00 1.94 1.95 0.00 3.06 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 76 A 8.15 4.40 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 77 L 8.57 4.31 0.00 1.49 1.60 0.79 0.19 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 78 T 9.39 4.15 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 1.31 0.00 0.00 79 D 8.98 4.35 0.00 2.80 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 80 A 7.99 4.01 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 81 E 8.21 4.03 0.00 2.38 2.22 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 2.54 2.61 0.00 82 T 8.18 3.98 4.39 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 1.22 0.00 0.00 83 K 8.16 3.99 0.00 1.95 2.00 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.47 7.81 84 A 8.05 4.21 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 85 F 8.52 4.28 0.00 3.33 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.20 3.90 0.00 1.81 1.72 0.89 0.58 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 87 K 8.03 4.07 0.00 1.90 1.94 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 88 A 8.20 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.79 3.84 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 0.00 0.00 0.00 90 D 8.22 4.73 0.00 2.66 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 91 S 8.04 4.28 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.73 4.47 0.00 2.80 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 93 G 8.31 3.87 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 94 D 8.18 4.49 0.00 2.63 2.72 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 0.00 0.00 0.00 0.00 95 G 9.19 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.83 4.78 1.14 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 0.00 0.00 97 I 9.05 4.60 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.25 1.19 0.00 0.00 98 G 9.08 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.59 2.73 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 0.56 0.00 0.00 0.57 0.00 0.00 100 E 7.94 3.98 0.00 2.16 2.20 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 2.37 2.35 0.00 101 E 8.15 4.01 0.00 2.31 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 2.45 2.43 0.00 102 W 8.25 4.33 0.00 3.66 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 0.00 103 V 7.84 3.32 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 0.91 0.00 0.00 1.03 0.00 0.00 104 A 7.82 3.95 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 0.00 105 L 7.46 3.93 0.00 1.62 1.79 0.36 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.36 2.93 1.66 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 0.70 0.00 0.00 -0.53 0.00 0.00 107 K 7.56 4.77 0.00 1.77 1.62 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.42 7.81 108 A 7.72 4.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.