NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6972 8.3544 109.7316 45.2392 0.0000 175.4933 *2 N 4.3344 8.9583 117.3792 53.2405 41.1673 172.6859 3 L 3.5650 8.1639 127.6590 57.5067 41.7463 179.1730 4 A 3.9835 7.8606 120.3851 55.0177 18.2793 178.9793 5 N 4.2119 8.5620 115.6175 56.8422 39.0398 176.9044 6 I 3.6449 7.5711 121.1822 64.4782 37.2245 178.4382 7 V 3.0941 7.8001 118.6277 65.9820 31.0608 177.7443 8 Q 4.2231 8.2793 117.9450 59.5309 28.6593 179.6625 9 R 4.3923 7.8533 120.3946 58.6391 29.9460 179.4204 10 G 3.5549 8.0907 105.7409 47.4761 0.0000 175.7906 11 W 4.3502 8.1202 121.2573 59.7360 28.5584 178.4879 12 E 4.1282 8.2828 118.1749 59.2768 28.8924 179.1759 13 A 4.0537 8.2665 120.9210 55.0087 18.4598 179.3760 14 L 4.2448 8.4613 119.2915 58.5247 42.0276 179.5384 15 G 3.8229 8.3576 104.0572 47.3656 0.0000 174.5981 16 A 4.4335 8.0517 120.3732 51.4140 19.0347 177.8269 17 G 2.9891 7.5019 105.0540 46.3836 0.0000 175.5865 18 D 4.4122 7.5597 120.9195 52.9615 37.9081 176.5862 19 F 4.4967 7.2177 122.4863 60.2790 39.4112 176.8233 20 D 4.4469 8.1479 117.4237 57.7563 40.9978 178.6943 21 T 4.0666 7.8116 114.7386 66.4509 68.5772 176.3923 22 L 4.0597 8.0945 122.3701 58.6440 42.1428 179.3417 23 V 4.1380 8.0760 111.0602 63.4112 31.3497 178.1264 24 T 4.1558 7.8052 109.0290 63.9846 68.9360 175.3749 25 D 4.5460 8.3595 121.2935 54.8655 41.0118 175.1036 26 Y 5.0519 7.3191 117.0016 55.8807 40.7478 175.9082 27 V 3.9959 8.2458 116.3080 61.0418 32.3685 176.2432 28 E 4.0394 8.9596 123.1900 59.0495 30.7597 176.1297 29 K 4.6033 7.9912 120.0708 54.8825 32.6025 176.2751 *31 I 4.1342 8.0384 118.5311 60.5358 39.5852 174.3396 32 F 5.2028 9.0012 126.8345 56.6717 42.1249 173.5479 33 I 5.1043 8.7600 128.2790 58.2339 38.4514 174.9749 *35 P 3.7724 0.0000 0.0000 61.7378 33.2227 176.9151 36 G 3.9814 7.8187 107.7351 43.7120 0.0000 174.6559 37 Q 3.8905 8.4298 117.8521 57.9066 28.8108 177.3502 38 A 4.3653 7.7805 118.5240 52.4297 19.7577 177.6180 39 D 4.4762 7.5973 118.2417 52.3390 39.4139 173.3809 40 V 4.2940 7.6567 119.7927 60.9256 33.3331 173.8638 41 L 4.7053 8.7776 131.2748 53.3235 44.1030 174.9570 42 K 4.6946 8.7586 125.4912 55.7586 34.2280 176.8208 43 G 3.9888 8.8949 111.5134 45.5749 0.0000 174.5145 44 R 3.8955 8.9218 122.2190 59.1201 30.0212 178.9395 45 Q 3.9224 8.0785 118.8442 59.1345 29.1363 178.0012 46 A 3.9472 7.9236 121.3629 54.8595 18.4898 179.2322 47 F 3.9644 8.2475 119.2207 61.4986 39.2795 177.3233 48 R 3.4364 7.9457 117.2677 59.1833 30.0930 178.1147 49 S 4.0726 8.1150 112.7925 61.3527 62.3922 176.0245 50 A 3.8811 7.8163 123.3389 55.0660 18.0213 179.5376 51 L 3.3098 7.3177 117.3480 57.5102 41.2258 178.9134 52 D 4.5973 7.5330 117.0336 55.5405 40.9044 176.1871 53 N 4.9557 7.9666 119.1189 52.7316 39.7548 175.9204 54 L 3.9947 7.9466 121.3161 57.6898 41.8065 178.4512 55 G 3.8151 8.2209 104.2567 47.5158 0.0000 174.1872 56 E 4.5740 8.0342 117.6934 56.8606 30.1929 177.6671 57 I 4.0391 7.6062 119.4737 62.1406 37.9940 175.7704 58 L 4.5443 7.4365 118.8091 51.9762 43.4143 174.7344 59 P 3.2244 0.0000 0.0000 61.0624 32.0389 173.9671 60 P 4.3484 0.0000 0.0000 64.2444 31.5536 177.6159 61 G 4.2344 8.9759 109.9322 46.0690 0.0000 172.5553 62 F 4.3616 8.0070 121.7113 58.8666 39.8374 174.1864 63 E 4.5823 8.4429 127.8705 54.6817 33.3281 173.7633 64 I 4.5012 8.3087 127.9723 61.1877 37.5412 175.6389 65 T 4.4707 9.0465 116.9392 61.7667 70.5192 174.6677 66 G 4.2876 7.7323 108.5488 45.0873 0.0000 171.6421 67 L 5.0976 8.2543 123.3670 53.7694 45.1919 174.4226 68 R 4.7554 8.6343 120.7909 55.3263 33.2454 173.4843 69 Q 5.2053 8.6716 118.8157 54.2657 31.4184 174.9671 70 L 4.9087 9.3310 122.9422 53.0108 45.2070 175.0798 71 E 4.8644 8.8424 120.8116 54.8844 31.8301 175.8758 72 G 4.2689 8.6603 113.7143 44.2210 0.0000 172.4968 73 E 4.1525 8.7161 120.5218 56.0961 28.6528 175.7233 74 N 4.1836 8.7744 124.0819 53.7234 37.7616 172.9802 75 E 5.5337 7.5967 109.3381 54.8798 33.8450 173.7213 76 I 5.2186 9.2228 120.5981 59.7117 42.0019 174.3985 77 V 5.0095 8.9111 125.6097 61.3773 34.2072 174.3649 78 S 5.3155 9.4087 124.5580 57.6623 64.8247 173.0426 79 I 4.6445 8.6250 125.7623 59.7931 39.0838 174.7523 80 V 4.4375 8.7962 127.6320 61.0454 33.9523 173.6652 81 E 5.0657 9.0175 130.2930 54.8392 31.2402 174.8472 82 W 5.7219 8.9297 123.1118 55.1226 32.5603 173.3534 83 K 4.8886 9.0059 119.1831 56.0950 36.3086 174.5584 84 S 5.2498 8.0983 113.3228 58.3309 65.2126 173.6800 85 D 4.4522 9.1032 119.1321 57.1347 41.0887 178.0389 86 K 4.6255 7.6390 117.8895 55.2417 31.6219 176.1428 *88 I 4.0665 7.4920 112.5221 60.7003 39.9014 176.5163 89 A 4.2923 7.2883 117.0223 51.1151 21.7560 175.4890 90 S 4.3218 7.9109 115.9571 57.4674 66.5827 172.3727 91 Q 5.4455 8.4816 118.6442 54.4029 32.7089 174.4125 92 L 5.1100 9.3236 121.4167 54.6454 44.8910 174.6279 93 S 5.2652 8.9183 112.9907 56.5933 66.8989 173.1516 94 V 4.4057 8.5087 120.1447 61.0768 34.6163 173.7005 95 L 4.9789 8.6934 130.4658 53.7486 44.1477 174.9877 96 F 5.1024 9.5199 124.6350 55.7767 41.9543 174.1013 97 K 4.8786 8.7127 124.1881 54.7957 34.1913 175.7085 98 F 5.3135 8.9992 122.3923 55.7254 42.1705 174.9123 99 E 4.5226 9.9762 124.3949 55.1026 30.9102 176.6665 100 G 3.8608 8.3062 118.4270 47.4001 0.0000 172.8250 101 D 4.9125 9.0578 122.6013 53.5480 41.0889 175.3689 102 Q 4.9662 8.1800 118.4616 53.9751 31.9007 174.7125 103 I 3.7955 8.3451 122.7055 61.0791 37.6686 176.0686 104 Y 4.6718 8.6245 124.2216 56.9876 40.2262 175.5462 105 E 4.5699 7.1822 121.0109 54.3201 33.3434 173.2654 106 E 4.7695 9.1836 128.1517 54.3696 32.5511 174.4809 107 R 4.7462 8.6734 128.2425 54.2052 32.7600 174.1669 108 W 4.5510 8.9186 127.6766 56.0490 30.4766 176.4803 109 F 4.7115 9.3218 123.6935 55.8660 40.1092 174.5244 110 V 4.6251 8.1051 123.0217 60.2155 34.5842 175.7199 111 D 4.6277 9.0009 126.5434 54.4920 40.6842 176.6225 112 T 4.1315 8.3955 118.5815 64.5140 68.8291 176.0527 113 E 4.0438 8.2833 120.2231 59.3533 29.9756 178.7327 114 Q 4.2317 8.5413 119.3596 58.9352 29.3522 177.6950 115 W 4.6275 8.8959 129.8951 60.9801 30.9337 178.1644 116 K 4.2303 8.6457 118.1177 59.0565 31.2351 179.1047 117 S 4.4992 8.0061 113.0336 60.0835 63.2077 175.1558 118 V 4.1982 7.3773 114.3508 61.1589 31.6642 175.9501 119 F 4.1042 7.7997 123.9972 57.6979 38.7793 175.4901 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 0 G 8.35 3.70 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 0.00 0.00 0.00 *2 N 8.96 4.33 0.00 2.75 2.71 0.00 0.00 6.91 6.66 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 3 L 8.16 3.57 0.00 1.41 0.88 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.86 3.98 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 5 N 8.56 4.21 0.00 2.92 2.96 0.00 0.00 7.20 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 6 I 7.57 3.64 1.99 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 1.40 0.56 0.98 0.00 0.00 7 V 7.80 3.09 2.15 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 0.90 0.00 0.00 0.63 0.00 0.00 8 Q 8.28 4.22 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 9 R 7.85 4.39 0.00 1.82 2.00 0.00 3.32 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 10 G 8.09 3.55 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 0.00 11 W 8.12 4.35 0.00 3.71 3.36 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 12 E 8.28 4.13 0.00 2.29 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 2.43 2.58 0.00 13 A 8.27 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 4.24 0.00 2.04 2.12 1.09 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.36 3.82 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 0.00 16 A 8.05 4.43 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 17 G 7.50 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 0.00 0.00 0.00 18 D 7.56 4.41 0.00 2.71 2.53 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 19 F 7.22 4.50 0.00 3.05 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 20 D 8.15 4.45 0.00 2.66 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 21 T 7.81 4.07 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 1.24 0.00 0.00 22 L 8.09 4.06 0.00 1.97 2.01 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.08 4.14 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 0.77 0.00 0.00 1.05 0.00 0.00 24 T 7.81 4.16 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 1.35 0.00 0.00 25 D 8.36 4.55 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.32 5.05 0.00 2.96 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 27 V 8.25 4.00 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 0.77 0.00 0.00 1.08 0.00 0.00 28 E 8.96 4.04 0.00 2.08 1.96 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 2.39 2.36 0.00 29 K 7.99 4.60 0.00 1.69 1.79 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.44 7.81 *31 I 8.04 4.13 1.86 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 1.37 0.54 0.93 0.00 0.00 32 F 9.00 5.20 0.00 2.63 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 33 I 8.76 5.10 1.61 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 0.78 1.25 0.75 0.00 0.00 *35 P 0.00 3.77 0.00 1.83 1.72 0.00 3.71 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.00 0.00 36 G 7.82 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 0.00 0.00 0.00 37 Q 8.43 3.89 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 38 A 7.78 4.37 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 39 D 7.60 4.48 0.00 2.67 2.43 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 40 V 7.66 4.29 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 0.73 0.00 0.00 0.85 0.00 0.00 41 L 8.78 4.71 0.00 1.85 1.78 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.76 4.69 0.00 1.66 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.41 7.81 43 G 8.89 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 44 R 8.92 3.90 0.00 2.17 1.95 0.00 3.37 0.00 0.00 3.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 45 Q 8.08 3.92 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 46 A 7.92 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.96 0.00 2.87 3.01 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 48 R 7.95 3.44 0.00 1.74 1.99 0.00 3.18 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 49 S 8.11 4.07 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 50 A 7.82 3.88 1.25 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 51 L 7.32 3.31 0.00 1.02 0.13 0.06 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.53 4.60 0.00 2.75 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 53 N 7.97 4.96 0.00 2.66 2.62 0.00 0.00 6.69 6.21 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 54 L 7.95 3.99 0.00 1.78 1.72 0.85 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.22 3.82 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 0.00 56 E 8.03 4.57 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 2.35 2.52 0.00 57 I 7.61 4.04 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.61 0.90 0.00 0.00 58 L 7.44 4.54 0.00 1.54 1.14 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 3.22 0.00 1.65 0.49 0.00 2.91 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.62 0.00 60 P 0.00 4.35 0.00 2.24 2.01 0.00 3.49 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 61 G 8.98 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 0.00 0.00 0.00 0.00 62 F 8.01 4.36 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 63 E 8.44 4.58 0.00 2.10 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 2.14 2.26 0.00 64 I 8.31 4.50 1.82 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 0.84 0.00 0.00 65 T 9.05 4.47 4.20 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 1.16 0.00 0.00 66 G 7.73 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 67 L 8.25 5.10 0.00 1.44 1.42 0.33 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.63 4.76 0.00 1.85 1.95 0.00 2.77 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 69 Q 8.67 5.21 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 70 L 9.33 4.91 0.00 1.60 1.56 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.84 4.86 0.00 1.83 1.84 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 2.22 2.29 0.00 72 G 8.66 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 0.00 0.00 0.00 0.00 73 E 8.72 4.15 0.00 2.05 1.96 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 2.41 2.26 0.00 74 N 8.77 4.18 0.00 3.00 2.94 0.00 0.00 6.61 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 75 E 7.60 5.53 0.00 2.27 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 0.00 2.27 2.38 0.00 76 I 9.22 5.22 2.20 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 1.22 0.98 1.08 0.00 0.00 77 V 8.91 5.01 2.15 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 1.03 0.00 0.00 1.00 0.00 0.00 78 S 9.41 5.32 0.00 4.19 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 79 I 8.63 4.64 1.87 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 1.13 1.77 0.92 0.00 0.00 80 V 8.80 4.44 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 0.85 0.00 0.00 0.33 0.00 0.00 81 E 9.02 5.07 0.00 2.07 1.85 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 2.18 2.33 0.00 82 W 8.93 5.72 0.00 3.16 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 83 K 9.01 4.89 0.00 1.71 1.85 0.00 1.29 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.25 1.35 7.81 84 S 8.10 5.25 0.00 4.16 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 0.00 85 D 9.10 4.45 0.00 2.76 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 86 K 7.64 4.63 0.00 1.72 1.77 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.38 7.81 *88 I 7.49 4.07 1.81 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 1.26 0.45 0.87 0.00 0.00 89 A 7.29 4.29 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 90 S 7.91 4.32 0.00 3.27 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 91 Q 8.48 5.45 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 92 L 9.32 5.11 0.00 1.91 1.94 0.59 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.92 5.27 0.00 4.02 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 94 V 8.51 4.41 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 -0.10 0.00 0.00 -0.15 0.00 0.00 95 L 8.69 4.98 0.00 1.96 1.61 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 96 F 9.52 5.10 0.00 2.98 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 97 K 8.71 4.88 0.00 0.91 1.62 0.00 1.59 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.26 7.81 98 F 9.00 5.31 0.00 3.08 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 99 E 9.98 4.52 0.00 1.89 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 2.21 2.13 0.00 100 G 8.31 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 0.00 0.00 0.00 101 D 9.06 4.91 0.00 2.68 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 0.00 102 Q 8.18 4.97 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 103 I 8.35 3.80 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 0.00 0.00 0.00 -0.10 -0.32 0.63 0.00 0.00 104 Y 8.62 4.67 0.00 2.94 3.02 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 0.00 105 E 7.18 4.57 0.00 1.46 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 0.00 0.00 0.00 2.05 2.13 0.00 106 E 9.18 4.77 0.00 2.17 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 1.93 0.00 107 R 8.67 4.75 0.00 1.63 1.45 0.00 3.09 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 108 W 8.92 4.55 0.00 2.84 2.89 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 0.00 109 F 9.32 4.71 0.00 2.89 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 0.00 110 V 8.11 4.63 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 0.40 0.00 0.00 0.76 0.00 0.00 111 D 9.00 4.63 0.00 2.89 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 0.00 112 T 8.40 4.13 4.31 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 1.26 0.00 0.00 113 E 8.28 4.04 0.00 2.19 2.15 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 2.38 2.44 0.00 114 Q 8.54 4.23 0.00 2.38 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 115 W 8.90 4.63 0.00 3.68 3.36 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 0.00 116 K 8.65 4.23 0.00 2.07 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.75 7.81 117 S 8.01 4.50 0.00 4.13 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 0.00 118 V 7.38 4.20 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 0.87 0.00 0.00 0.88 0.00 0.00 119 F 7.80 4.10 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.