NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.0834 8.1300 115.1795 56.4502 39.9024 176.7664 13 V 3.4405 8.0288 123.2189 66.7800 31.0451 175.3966 14 A 4.0292 8.7055 120.3850 55.1750 18.8958 178.5035 15 E 4.1010 8.2266 116.6461 59.6557 29.5502 179.4676 16 L 4.0336 8.3215 119.1117 57.8343 41.6724 179.2364 17 N 4.3251 8.3651 116.5444 56.3239 38.2560 176.7449 18 N 4.4828 7.8637 116.8099 55.5751 39.2808 175.7688 19 L 4.4905 7.8924 119.1768 53.3589 42.1680 176.1097 20 L 4.2122 7.0648 120.0082 56.7661 41.9163 177.8915 21 G 3.9790 9.4259 112.0101 45.1972 0.0000 173.1654 22 R 4.7169 8.0007 119.0338 54.1087 33.1733 175.1306 23 E 4.7354 8.6111 122.5182 56.4658 30.6894 176.0495 24 V 4.7413 8.7112 118.3323 59.9352 37.1159 173.5605 25 Q 5.0411 8.9707 123.2550 54.3975 31.7553 174.3462 26 V 4.7091 9.2888 126.3486 61.2062 34.3471 174.1587 27 V 4.5889 8.4945 129.1014 61.8453 32.8574 175.1603 28 L 5.1204 8.8925 128.3015 53.1831 43.7174 177.8929 29 S 4.1957 9.0782 116.1656 61.2280 62.4338 174.8114 30 N 4.6172 8.1786 115.1669 52.9753 37.4092 175.6448 31 G 4.0225 8.0733 108.4990 45.3365 0.0000 174.0628 32 E 4.3387 8.4416 119.3001 56.2546 31.3131 176.2062 33 V 4.8783 8.0123 120.5912 61.7122 34.9023 173.4233 34 Y 4.9425 9.0946 125.5322 56.1102 40.9893 174.9163 35 K 5.0334 8.4657 122.0917 54.7435 36.0805 175.7183 36 G 4.3231 8.1891 109.5290 45.8510 0.0000 172.0640 37 V 4.3821 8.0342 120.3684 62.1375 32.9659 175.0433 38 L 4.3459 9.1095 130.6040 55.9625 41.9431 176.3885 39 H 4.6008 9.1409 127.6913 58.2694 30.8778 175.2436 40 A 4.8801 7.6986 117.7382 50.6670 22.6477 175.6306 41 V 4.9921 8.2931 119.6093 60.3010 34.6567 174.1073 42 D 5.0301 8.4029 123.3050 50.9796 42.0572 176.5834 43 N 4.2387 8.6717 115.7080 56.5318 38.3874 176.3472 44 Q 3.8641 7.9556 113.8537 55.6866 29.0455 175.8565 45 L 3.8273 8.0979 117.3689 55.5723 39.4259 174.4447 46 N 4.9121 8.5764 116.0619 53.5864 40.0397 174.3217 47 I 4.9461 8.8769 121.1420 59.6634 41.9618 174.4193 48 V 4.6615 8.7413 125.5248 61.1173 34.0778 174.2669 49 L 5.1910 8.5900 127.2804 53.0363 44.6788 175.2051 50 A 4.9551 9.0145 123.5733 50.4670 21.9159 176.1419 51 N 4.4177 8.5966 116.7928 54.3270 36.9373 173.8081 52 A 5.1727 8.1694 119.9393 50.8193 22.4529 177.7038 53 S 5.7434 9.2766 112.9109 56.1317 67.3786 172.9934 54 N 5.0814 8.0955 117.8944 50.0350 39.9509 175.2522 55 K 3.9516 8.4644 116.6613 58.8706 32.0067 177.7690 56 A 4.3057 8.5379 122.0882 51.6664 18.4870 178.9958 57 G 3.8052 7.9955 105.1937 46.2053 0.0000 174.5655 58 E 4.0403 7.6790 119.6329 56.0886 30.6607 175.8255 59 K 5.0228 7.8960 122.9589 54.6912 35.2939 175.1596 60 F 4.9156 9.3422 123.9841 55.8452 43.2286 175.2489 61 N 4.3801 9.2243 121.5871 56.3816 39.8714 174.7427 62 R 4.8788 7.9181 115.0897 54.1387 34.0891 174.9017 63 V 4.0093 8.1354 122.6426 61.0576 34.3833 174.2290 64 F 4.8753 8.8053 127.3823 56.6290 39.7589 175.0215 65 I 4.4094 8.6166 129.7298 60.1333 40.0625 175.8088 *67 Y 4.6770 8.4510 118.5454 57.9882 39.6809 177.3283 68 R 3.6201 7.0186 117.9946 58.4296 30.2158 176.6383 69 Y 4.3853 7.7608 113.1053 57.5021 38.6383 174.4756 70 I 4.3752 7.5180 122.0363 60.9419 37.3859 175.9656 71 V 4.0761 9.0336 128.8473 65.4219 32.0119 175.4918 72 H 4.9317 7.7041 113.2948 54.7593 31.7375 171.8818 73 I 5.0412 8.2473 119.5480 59.6551 39.7894 174.7822 74 D 5.0504 9.5348 126.4366 52.4555 44.3485 174.9218 75 S 4.9412 8.6081 116.1841 56.6384 65.3167 173.5333 76 T 4.4647 8.6608 114.6939 61.3446 69.1523 173.7017 77 E 4.5880 7.7586 121.0353 54.9808 31.5738 175.6065 78 R 4.3045 8.3011 120.5865 54.9079 30.8183 176.6016 79 R 4.4406 8.2103 122.0182 53.8024 31.9962 175.3416 80 I 3.6395 8.4183 123.5888 62.0220 37.8092 175.0733 81 D 5.0109 8.6451 122.9506 52.4105 44.8068 175.8465 *83 R 3.7923 8.3334 116.9119 56.0743 32.1043 177.9407 84 E 3.9608 8.0818 116.7402 59.2132 29.5940 178.5329 85 F 3.4753 8.1127 120.3032 61.0187 39.2422 176.9295 86 A 3.9674 7.8770 119.9047 54.9998 17.9847 179.6251 87 K 3.8927 7.5424 115.8882 59.7111 31.8989 179.3537 88 Q 4.0436 7.9905 118.1747 58.6913 28.6245 178.5114 89 A 3.9107 7.8624 122.3500 54.9993 18.4826 179.1132 90 E 4.0499 8.2938 117.9307 59.5468 29.3831 179.1970 91 K 4.0802 7.6213 116.4612 58.4951 32.1691 178.5202 92 I 3.9421 7.3851 118.5499 61.5411 39.1379 175.9026 93 F 4.9559 8.2718 116.6477 54.5837 39.0472 173.3732 94 P 4.8148 0.0000 0.0000 63.7412 31.9385 176.9320 95 G 3.5818 9.3011 109.2328 46.6219 0.0000 173.7113 *97 V 4.1406 7.5209 116.8395 62.5224 33.0417 174.8463 98 K 4.5868 8.5822 127.5252 55.3632 35.5478 173.9551 99 Y 4.7317 8.8264 128.9378 57.1827 40.5930 173.9410 100 I 4.1626 7.8772 128.2921 59.1973 37.8438 176.2415 101 E 3.7428 8.3259 126.7443 58.8684 29.9026 179.4503 102 E 4.1742 8.0901 118.4401 58.6391 29.5683 177.3367 103 T 4.3969 6.8649 105.5058 59.9644 70.1308 172.8195 104 N 4.2374 8.1329 118.8490 54.5857 37.6929 173.3018 105 V 4.6954 7.0439 115.6882 61.0070 36.2651 174.1814 106 V 4.8650 9.0515 125.3604 61.1837 34.0140 174.1786 107 L 4.9190 8.8545 128.2970 53.4387 43.4421 175.6308 108 I 4.0474 8.2962 124.1922 60.3183 39.5481 176.4948 109 G 4.1830 8.4234 118.6652 45.2417 0.0000 171.4618 110 D 4.5610 8.5678 116.7122 54.9730 41.6588 177.8594 111 K 4.5252 7.8358 114.6352 55.9027 34.2989 175.5468 112 V 4.6998 7.4058 119.2038 60.8961 34.3124 174.5279 113 R 5.0942 8.8076 122.5311 54.4201 33.1425 173.9351 114 V 4.5526 9.2322 122.2244 61.1439 34.6053 174.6822 115 S 4.9524 8.1850 122.6251 56.0872 65.9809 174.5004 116 E 4.3158 8.9001 116.4948 58.6159 29.4119 177.5587 117 I 4.0451 7.9053 119.5775 61.2448 37.9966 174.5265 118 G 2.9360 6.6883 106.2939 43.1313 0.0000 172.6044 119 V 3.9640 7.5768 119.3775 61.8344 32.4459 175.3978 120 E 4.5134 10.0350 126.2504 53.3356 31.7208 176.3885 121 G 4.3977 7.5299 111.3770 45.1476 0.0000 171.1804 122 V 4.3636 7.6913 111.5698 60.4598 35.5478 175.9707 123 G 3.8671 8.6090 107.6391 43.9667 0.0000 172.0813 124 P 4.2718 0.0000 0.0000 65.5559 31.0663 178.9883 125 V 3.7177 7.8178 116.3234 65.9769 31.5260 177.6891 126 A 3.9832 7.9844 119.9716 55.2007 18.3879 179.1883 127 E 3.9354 8.3393 117.0032 59.7409 29.7051 179.6131 128 R 4.0015 8.6697 118.7901 59.5174 30.0997 178.4123 129 A 4.4547 8.7582 121.0015 54.9424 18.3510 179.7713 130 K 4.0160 8.5305 117.6456 59.9227 32.2266 179.7264 131 R 4.0495 8.0164 117.8289 59.1609 29.8565 178.9717 132 L 4.6121 8.0284 121.3914 57.7620 42.1929 178.8017 133 F 4.3786 9.0679 121.1720 61.2675 39.0497 177.0109 134 E 3.9739 8.3537 117.4728 59.5265 29.5897 178.7401 135 E 4.1270 8.3339 118.5733 59.4988 29.3153 179.1855 136 F 4.2440 8.3462 119.7997 61.3597 39.5353 176.9400 137 L 3.6790 7.6386 117.5185 56.0581 41.3592 177.2275 138 K 4.0588 7.6182 122.6001 56.7066 32.6116 175.7909 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 12 F 8.13 5.08 0.00 3.24 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 3.44 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 1.05 0.00 0.00 0.87 0.00 0.00 14 A 8.71 4.03 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 15 E 8.23 4.10 0.00 2.30 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 2.44 2.51 0.00 16 L 8.32 4.03 0.00 1.93 1.78 1.13 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.37 4.33 0.00 2.99 2.89 0.00 0.00 6.61 6.22 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 18 N 7.86 4.48 0.00 2.81 3.08 0.00 0.00 7.19 9.04 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 19 L 7.89 4.49 0.00 1.85 1.66 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.06 4.21 0.00 1.76 1.65 0.98 1.04 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 21 G 9.43 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 22 R 8.00 4.72 0.00 1.82 2.01 0.00 3.30 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 23 E 8.61 4.74 0.00 1.99 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 2.29 2.50 0.00 24 V 8.71 4.74 2.08 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 0.79 0.00 0.00 0.95 0.00 0.00 25 Q 8.97 5.04 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 26 V 9.29 4.71 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 0.93 0.00 0.00 0.97 0.00 0.00 27 V 8.49 4.59 1.71 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 0.94 0.00 0.00 0.88 0.00 0.00 28 L 8.89 5.12 0.00 1.88 1.65 0.95 0.63 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 29 S 9.08 4.20 0.00 4.11 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 30 N 8.18 4.62 0.00 2.87 2.88 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.07 4.02 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 0.00 0.00 0.00 32 E 8.44 4.34 0.00 2.20 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 2.39 2.53 0.00 33 V 8.01 4.88 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 1.01 0.00 0.00 0.93 0.00 0.00 34 Y 9.09 4.94 0.00 2.94 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 35 K 8.47 5.03 0.00 1.69 1.67 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.34 7.81 36 G 8.19 4.32 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 0.00 37 V 8.03 4.38 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 0.81 0.00 0.00 0.94 0.00 0.00 38 L 9.11 4.35 0.00 1.92 1.67 0.96 0.75 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 39 H 9.14 4.60 0.00 3.13 3.35 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.70 4.88 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 41 V 8.29 4.99 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 0.84 0.00 0.00 1.00 0.00 0.00 42 D 8.40 5.03 0.00 2.88 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 N 8.67 4.24 0.00 2.68 2.87 0.00 0.00 6.87 7.69 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 44 Q 7.96 3.86 0.00 1.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.55 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 45 L 8.10 3.83 0.00 1.70 1.89 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.58 4.91 0.00 3.01 2.86 0.00 0.00 6.79 8.08 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 47 I 8.88 4.95 1.92 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 1.18 1.05 0.93 0.00 0.00 48 V 8.74 4.66 2.11 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 0.57 0.00 0.00 1.08 0.00 0.00 49 L 8.59 5.19 0.00 1.57 1.53 0.99 0.47 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 50 A 9.01 4.96 1.15 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 51 N 8.60 4.42 0.00 2.79 2.85 0.00 0.00 6.84 7.45 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 52 A 8.17 5.17 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.28 5.74 0.00 3.88 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 54 N 8.10 5.08 0.00 2.31 1.61 0.00 0.00 6.75 6.53 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 55 K 8.46 3.95 0.00 1.66 1.86 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.46 7.81 56 A 8.54 4.31 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 57 G 8.00 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 58 E 7.68 4.04 0.00 1.96 1.49 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 2.28 2.27 0.00 59 K 7.90 5.02 0.00 1.58 1.46 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.32 7.81 60 F 9.34 4.92 0.00 3.00 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 61 N 9.22 4.38 0.00 2.81 2.86 0.00 0.00 6.90 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 62 R 7.92 4.88 0.00 1.59 0.97 0.00 3.02 0.00 0.00 2.88 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 63 V 8.14 4.01 1.86 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 0.42 0.00 0.00 0.83 0.00 0.00 64 F 8.81 4.88 0.00 2.89 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 65 I 8.62 4.41 1.95 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 1.06 0.53 0.91 0.00 0.00 *67 Y 8.45 4.68 0.00 3.24 3.48 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 68 R 7.02 3.62 0.00 1.31 1.37 0.00 2.93 0.00 0.00 2.96 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.00 69 Y 7.76 4.39 0.00 3.07 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 70 I 7.52 4.38 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 1.00 0.00 0.00 71 V 9.03 4.08 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 0.87 0.00 0.00 0.99 0.00 0.00 72 H 7.70 4.93 0.00 3.19 3.37 0.00 5.45 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.25 5.04 1.72 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.92 0.00 0.00 74 D 9.53 5.05 0.00 2.51 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.61 4.94 0.00 3.79 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 76 T 8.66 4.46 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 1.20 0.00 0.00 77 E 7.76 4.59 0.00 1.99 1.88 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 2.25 2.24 0.00 78 R 8.30 4.30 0.00 1.74 1.80 0.00 3.25 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 79 R 8.21 4.44 0.00 1.74 1.85 0.00 3.55 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 80 I 8.42 3.64 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.47 1.22 0.00 0.00 81 D 8.65 5.01 0.00 2.87 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 *83 R 8.33 3.79 0.00 2.05 1.81 0.00 2.78 0.00 0.00 2.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 0.00 84 E 8.08 3.96 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 85 F 8.11 3.48 0.00 2.03 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 86 A 7.88 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.54 3.89 0.00 1.93 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 88 Q 7.99 4.04 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 89 A 7.86 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.29 4.05 0.00 2.19 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 2.31 2.41 0.00 91 K 7.62 4.08 0.00 1.86 1.81 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 92 I 7.39 3.94 1.52 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.63 -0.07 0.00 0.00 93 F 8.27 4.96 0.00 2.90 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 94 P 0.00 4.81 0.00 2.18 2.08 0.00 3.51 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 95 G 9.30 3.58 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 0.00 0.00 0.00 *97 V 7.52 4.14 2.31 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 0.84 0.00 0.00 1.01 0.00 0.00 98 K 8.58 4.59 0.00 1.85 1.57 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.39 7.81 99 Y 8.83 4.73 0.00 3.16 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 0.00 100 I 7.88 4.16 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.69 0.84 0.00 0.00 101 E 8.33 3.74 0.00 2.23 2.32 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 2.32 2.32 0.00 102 E 8.09 4.17 0.00 1.89 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 2.29 2.33 0.00 103 T 6.86 4.40 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 1.16 0.00 0.00 104 N 8.13 4.24 0.00 2.94 2.95 0.00 0.00 6.84 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 0.00 105 V 7.04 4.70 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 0.93 0.00 0.00 0.88 0.00 0.00 106 V 9.05 4.87 2.34 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 1.08 0.00 0.00 1.28 0.00 0.00 107 L 8.85 4.92 0.00 1.59 1.51 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.30 4.05 1.54 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.32 -0.10 0.00 0.00 109 G 8.42 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.57 4.56 0.00 2.62 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 0.00 0.00 0.00 0.00 111 K 7.84 4.53 0.00 1.69 1.73 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.30 7.81 112 V 7.41 4.70 2.11 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 0.89 0.00 0.00 0.86 0.00 0.00 113 R 8.81 5.09 0.00 1.80 1.88 0.00 2.71 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 114 V 9.23 4.55 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 0.01 0.00 0.00 0.87 0.00 0.00 115 S 8.19 4.95 0.00 3.87 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 0.00 116 E 8.90 4.32 0.00 2.23 2.24 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 2.32 2.39 0.00 117 I 7.91 4.05 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 1.24 0.48 0.90 0.00 0.00 118 G 6.69 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 0.00 0.00 0.00 119 V 7.58 3.96 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 0.78 0.00 0.00 0.75 0.00 0.00 120 E 10.03 4.51 0.00 2.06 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 2.15 2.13 0.00 121 G 7.53 4.40 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 0.00 122 V 7.69 4.36 2.08 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 0.75 0.00 0.00 0.92 0.00 0.00 123 G 8.61 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 0.00 124 P 0.00 4.27 0.00 2.21 2.15 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 125 V 7.82 3.72 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 0.94 0.00 0.00 0.99 0.00 0.00 126 A 7.98 3.98 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 0.00 127 E 8.34 3.94 0.00 2.22 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 2.51 2.50 0.00 128 R 8.67 4.00 0.00 1.98 2.39 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.72 0.00 129 A 8.76 4.45 1.47 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 0.00 0.00 130 K 8.53 4.02 0.00 2.03 1.95 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.66 7.81 131 R 8.02 4.05 0.00 2.11 2.05 0.00 3.17 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 132 L 8.03 4.61 0.00 1.97 2.18 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 133 F 9.07 4.38 0.00 3.14 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 0.00 134 E 8.35 3.97 0.00 2.26 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 2.41 2.47 0.00 135 E 8.33 4.13 0.00 2.24 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 2.38 2.74 0.00 136 F 8.35 4.24 0.00 3.27 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 0.00 137 L 7.64 3.68 0.00 1.61 1.53 0.81 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.62 4.06 0.00 1.79 1.67 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.