NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6621 8.2233 120.3195 53.2326 41.0522 175.8329 3 T 3.8064 8.3626 114.7737 66.2695 68.2437 175.0725 4 H 4.1519 8.9922 121.0414 59.3118 30.4032 176.7755 5 E 3.9733 8.4735 120.3097 59.1428 29.2659 179.0112 6 F 4.4123 8.6530 121.1790 61.8944 39.4771 176.9881 7 H 3.9740 8.3682 116.0550 58.5609 28.4250 177.8714 8 K 3.8318 8.0294 120.4106 59.3839 31.8378 179.0091 9 L 3.9244 7.9947 120.4397 58.0827 41.9871 178.9918 10 L 3.8331 7.6593 118.8739 57.7236 41.5351 179.4384 11 I 3.5400 7.5153 119.6740 64.4133 37.0109 178.4568 12 K 3.9032 8.0496 120.2430 59.1528 31.8455 178.9400 13 V 3.3437 8.0060 119.1411 65.9056 31.3224 178.0293 14 V 3.6216 7.4665 117.8115 66.1498 31.3221 177.4885 15 D 4.2775 7.9990 118.3936 57.6263 40.7100 179.0565 16 L 3.9876 8.1879 119.6020 57.4475 41.5040 179.3640 17 F 5.0570 8.3614 122.3967 61.0602 39.2004 177.2929 18 L 3.3813 7.7563 117.3683 57.4261 41.4106 178.9122 19 E 3.9799 7.8879 116.8905 56.8417 29.0775 177.0729 20 D 4.5180 7.8164 117.8740 54.9020 40.4619 175.7307 21 R 3.9102 7.9933 118.5244 58.3718 30.4045 177.0475 22 I 4.3247 7.4408 119.8667 59.7680 37.8098 176.6030 23 K 4.2126 9.2032 125.4903 58.6600 32.1962 176.8978 24 E 5.2246 7.8812 113.1227 55.8052 32.3759 173.7140 25 F 4.8405 8.2355 114.2312 56.7663 41.7406 172.7081 26 E 4.9166 8.2168 116.9720 54.2738 33.4103 174.0902 *28 K 4.3174 8.5242 120.1331 57.2315 33.0870 175.8396 29 L 4.8559 8.9433 125.6143 53.7900 46.9244 174.8148 30 N 5.3522 8.7828 119.1003 52.4336 40.0041 172.6621 31 T 4.8513 8.8792 118.3508 60.6001 71.8567 172.0218 32 T 5.0946 8.6423 124.2168 62.1982 69.9121 174.1185 33 L 4.7518 8.9964 127.9062 53.6527 43.8949 177.0422 34 D 5.1844 9.1496 122.7408 52.2600 41.1786 177.0090 35 E 4.1602 8.9546 118.6474 59.6067 29.4514 178.5217 36 L 4.0118 8.0104 118.4908 57.8266 41.7014 179.2307 37 E 3.9558 8.8888 118.8696 59.2943 29.1391 179.1669 38 F 3.7798 8.3640 120.6990 61.1530 39.2782 176.9510 39 E 3.9599 8.4261 118.3494 59.5284 29.0757 179.0564 40 E 3.8801 8.0650 117.9883 58.9527 29.7360 177.9692 41 L 3.9272 7.8700 120.0279 58.3644 42.1401 178.7322 42 I 3.8444 7.2347 117.3861 60.7304 37.6407 177.8909 43 G 3.7683 8.1512 107.4586 46.9686 0.0000 177.0862 44 K 4.5057 8.5233 116.7477 53.2568 31.9164 173.6279 45 P 3.8921 0.0000 0.0000 62.2678 32.3892 177.1052 46 D 4.6818 8.7795 120.3131 56.6241 41.6469 176.7184 47 S 4.7900 7.5542 111.1849 57.2141 66.5021 173.3825 48 S 4.9988 8.3604 114.0501 56.8805 66.0315 172.8446 49 N 5.1267 9.1555 118.8679 51.6502 42.6018 173.3933 50 S 5.0706 8.5310 114.9079 56.8398 65.5256 172.7805 51 A 4.9594 9.3042 127.9898 50.0980 22.7844 174.3844 52 E 4.4076 8.5008 118.7130 54.1086 32.8145 174.8322 53 N 4.6401 8.5903 123.6614 52.7685 41.2042 173.7889 54 N 4.1490 9.9228 123.8572 54.2743 36.1964 175.4697 55 G 3.8541 10.1913 105.7218 44.9521 0.0000 173.8617 56 I 4.4086 7.3819 121.2942 59.4557 39.5169 174.6704 57 F 4.9343 8.8963 126.1883 55.9804 41.2461 174.9922 58 I 5.0437 8.6677 123.1574 59.8389 40.1891 174.1682 59 D 5.1844 9.4274 127.6892 52.7924 43.2277 175.1775 60 E 4.4821 8.8851 123.7889 54.4544 32.0568 173.9792 61 Y 5.0011 8.7411 124.9853 56.2525 41.0097 174.8221 62 S 5.1793 8.8430 119.7541 56.9001 66.1143 172.8580 63 Y 4.7001 8.8843 121.5883 56.0656 40.3957 175.2713 64 D 4.4230 8.9689 125.1299 54.2276 41.7263 176.0382 65 A 4.4454 8.7296 126.9207 53.5745 19.4714 176.5944 66 S 4.6689 7.3178 109.2278 57.0518 66.8000 173.8151 67 E 4.2155 9.0140 120.4092 59.3498 29.5729 177.4826 68 N 4.9951 7.9761 116.2901 53.6103 42.0677 174.4613 69 A 4.8101 7.7070 119.5166 49.2317 22.4018 175.6914 *71 K 4.4196 8.2358 116.6517 56.4639 33.9165 175.5681 72 K 5.2287 9.3336 123.3463 54.5225 35.6808 174.6992 73 L 5.2113 9.2372 126.6647 53.3264 44.8751 174.7611 74 F 5.3271 9.6740 125.1292 55.7042 41.9028 174.5997 75 V 4.9263 9.0521 123.1850 61.1927 34.4960 173.4996 76 E 5.3963 9.2423 129.6472 54.9844 31.6932 174.1314 77 Y 5.4512 8.8368 123.5986 56.3609 42.3534 173.2243 78 V 4.8443 8.9863 120.3661 60.9364 34.1117 175.0322 79 R 4.4366 9.1555 127.3098 56.6282 30.3619 175.9453 80 Q 4.7519 8.7429 121.5946 53.0302 32.9468 173.5988 81 P 4.1268 0.0000 0.0000 63.8708 31.8576 175.5803 82 E 3.2573 8.4369 115.8478 57.8698 26.6202 174.5643 83 F 3.8253 7.5910 112.0204 59.1407 36.7067 175.1277 84 K 4.7976 7.0867 116.6169 54.8479 36.4081 176.5965 85 Y 5.0787 8.8189 119.1409 56.9038 42.1127 174.9666 86 T 4.7333 9.1779 122.9545 63.0359 69.4035 174.1575 87 V 4.5021 9.1089 128.7498 62.6370 32.2929 176.3723 88 L 5.3847 9.7761 127.8606 55.4997 43.9339 176.5170 89 S 5.0274 7.8534 111.0510 57.1515 66.5515 173.4377 90 I 5.1278 8.3733 121.0735 59.5824 41.1403 174.2004 91 K 4.0352 9.3145 127.6476 54.3105 35.8541 174.7868 92 G 3.0771 7.0423 114.4457 43.9919 0.0000 172.5612 93 V 5.0273 8.9923 117.9454 59.6921 36.3816 174.1306 94 N 5.0212 8.7773 119.2173 51.9664 40.1725 174.0795 95 D 4.9747 7.8215 120.7566 52.3613 45.4462 173.8486 96 W 5.2731 8.7285 121.0698 54.9651 32.6912 175.8980 97 V 3.7471 9.3521 123.7792 66.0679 31.2287 176.9722 98 R 4.4670 8.1614 117.4442 54.9195 31.1334 176.5226 99 E 4.1672 8.6502 118.9943 56.8660 29.4381 177.0320 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 D 8.22 4.66 0.00 2.94 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 3 T 8.36 3.81 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 1.19 0.00 0.00 4 H 8.99 4.15 0.00 3.19 3.32 0.00 5.67 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 5 E 8.47 3.97 0.00 2.33 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 2.52 2.49 0.00 6 F 8.65 4.41 0.00 3.02 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 7 H 8.37 3.97 0.00 3.18 3.19 0.00 5.70 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 8 K 8.03 3.83 0.00 1.93 1.80 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.32 7.81 9 L 7.99 3.92 0.00 1.75 1.89 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.66 3.83 0.00 1.63 1.50 0.40 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.52 3.54 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 0.88 0.00 0.00 12 K 8.05 3.90 0.00 1.82 1.87 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.43 7.81 13 V 8.01 3.34 1.95 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 0.11 0.00 0.00 0.84 0.00 0.00 14 V 7.47 3.62 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 1.15 0.00 0.00 0.95 0.00 0.00 15 D 8.00 4.28 0.00 2.79 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 16 L 8.19 3.99 0.00 1.75 1.68 0.87 0.85 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 17 F 8.36 5.06 0.00 3.19 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 18 L 7.76 3.38 0.00 1.39 1.39 0.36 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.89 3.98 0.00 2.05 1.94 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 2.28 2.40 0.00 20 D 7.82 4.52 0.00 2.82 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 21 R 7.99 3.91 0.00 1.85 1.96 0.00 3.26 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 22 I 7.44 4.32 2.07 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.59 1.10 0.00 0.00 23 K 9.20 4.21 0.00 1.87 1.99 0.00 1.90 0.00 0.00 1.98 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.41 7.81 24 E 7.88 5.22 0.00 2.10 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 2.30 2.38 0.00 25 F 8.24 4.84 0.00 3.16 3.13 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 26 E 8.22 4.92 0.00 1.79 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 2.01 2.03 0.00 *28 K 8.52 4.32 0.00 1.83 1.80 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.52 7.81 29 L 8.94 4.86 0.00 1.80 1.62 0.96 0.61 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 30 N 8.78 5.35 0.00 2.74 2.74 0.00 0.00 6.72 7.70 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 31 T 8.88 4.85 4.59 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 1.23 0.00 0.00 32 T 8.64 5.09 4.33 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 1.27 0.00 0.00 33 L 9.00 4.75 0.00 1.84 1.66 0.67 0.46 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 34 D 9.15 5.18 0.00 3.00 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 35 E 8.95 4.16 0.00 2.40 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 2.44 2.40 0.00 36 L 8.01 4.01 0.00 1.91 1.72 0.94 0.97 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 37 E 8.89 3.96 0.00 2.19 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 2.35 2.49 0.00 38 F 8.36 3.78 0.00 3.21 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 39 E 8.43 3.96 0.00 2.20 1.95 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 2.28 2.45 0.00 40 E 8.06 3.88 0.00 1.94 2.04 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 2.26 2.27 0.00 41 L 7.87 3.93 0.00 1.48 1.55 0.78 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.23 3.84 1.57 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.28 0.06 0.00 0.00 43 G 8.15 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 0.00 0.00 0.00 44 K 8.52 4.51 0.00 1.73 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.32 7.81 45 P 0.00 3.89 0.00 2.07 1.16 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.74 0.00 46 D 8.78 4.68 0.00 2.55 2.71 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 47 S 7.55 4.79 0.00 3.79 3.85 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 48 S 8.36 5.00 0.00 3.59 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 49 N 9.16 5.13 0.00 2.46 2.64 0.00 0.00 6.40 8.03 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 50 S 8.53 5.07 0.00 3.84 3.73 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 0.00 0.00 0.00 51 A 9.30 4.96 1.20 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 0.00 0.00 52 E 8.50 4.41 0.00 1.30 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 1.47 1.47 0.00 53 N 8.59 4.64 0.00 2.65 2.51 0.00 0.00 7.04 6.26 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 54 N 9.92 4.15 0.00 2.83 2.82 0.00 0.00 7.37 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 55 G 10.19 3.85 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 0.00 0.00 0.00 56 I 7.38 4.41 1.79 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 1.28 0.97 0.89 0.00 0.00 57 F 8.90 4.93 0.00 1.66 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 0.00 0.00 0.00 0.00 58 I 8.67 5.04 1.94 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 1.29 0.85 1.11 0.00 0.00 59 D 9.43 5.18 0.00 2.87 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 0.00 0.00 0.00 60 E 8.89 4.48 0.00 1.70 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 1.82 1.47 0.00 61 Y 8.74 5.00 0.00 2.97 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 0.00 0.00 0.00 0.00 62 S 8.84 5.18 0.00 3.58 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 63 Y 8.88 4.70 0.00 2.70 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 64 D 8.97 4.42 0.00 2.79 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 65 A 8.73 4.45 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 66 S 7.32 4.67 0.00 3.86 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 67 E 9.01 4.22 0.00 1.94 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 0.00 2.32 2.28 0.00 68 N 7.98 5.00 0.00 3.14 2.90 0.00 0.00 6.91 7.84 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 69 A 7.71 4.81 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 *71 K 8.24 4.42 0.00 1.67 1.58 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.04 7.81 72 K 9.33 5.23 0.00 1.76 1.43 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.35 7.81 73 L 9.24 5.21 0.00 2.06 1.92 1.09 0.90 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 74 F 9.67 5.33 0.00 2.88 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 75 V 9.05 4.93 2.42 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 1.06 0.00 0.00 1.01 0.00 0.00 76 E 9.24 5.40 0.00 2.18 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 2.29 2.27 0.00 77 Y 8.84 5.45 0.00 3.50 3.31 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 78 V 8.99 4.84 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 1.15 0.00 0.00 1.02 0.00 0.00 79 R 9.16 4.44 0.00 1.86 1.85 0.00 3.13 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 1.89 1.55 0.00 80 Q 8.74 4.75 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 81 P 0.00 4.13 0.00 1.94 1.89 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 82 E 8.44 3.26 0.00 2.01 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 2.04 2.18 0.00 83 F 7.59 3.83 0.00 3.16 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 84 K 7.09 4.80 0.00 1.71 1.63 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.55 7.81 85 Y 8.82 5.08 0.00 3.07 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 86 T 9.18 4.73 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 1.34 0.00 0.00 87 V 9.11 4.50 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 0.99 0.00 0.00 1.06 0.00 0.00 88 L 9.78 5.38 0.00 1.67 1.75 0.98 0.82 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 89 S 7.85 5.03 0.00 3.87 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 90 I 8.37 5.13 2.07 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 1.25 1.09 1.12 0.00 0.00 91 K 9.31 4.04 0.00 1.58 1.51 0.00 1.47 0.00 0.00 1.33 0.00 0.00 2.64 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.09 1.21 7.81 92 G 7.04 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 0.00 0.00 0.00 93 V 8.99 5.03 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 0.73 0.00 0.00 1.19 0.00 0.00 94 N 8.78 5.02 0.00 2.45 1.98 0.00 0.00 6.62 8.06 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 95 D 7.82 4.97 0.00 2.66 2.37 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 96 W 8.73 5.27 0.00 3.32 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 97 V 9.35 3.75 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 0.80 0.00 0.00 1.04 0.00 0.00 98 R 8.16 4.47 0.00 1.89 1.86 0.00 3.24 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 99 E 8.65 4.17 0.00 1.97 1.87 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 2.34 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.