NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.6007 8.0544 120.3571 62.5019 32.4549 174.5228 2 E 4.1302 8.1490 128.0823 53.5280 29.6053 173.6144 3 W 4.8038 8.2303 127.1806 56.6564 31.1211 176.7732 4 T 4.5996 9.0746 113.5501 60.7367 71.2546 175.9011 5 D 4.4372 8.6227 121.4278 57.4163 40.7468 178.8496 6 F 4.1259 8.2938 120.7842 61.3366 39.4997 176.8806 7 E 3.9077 8.3287 117.7600 59.4186 29.4131 179.5368 8 R 3.6466 8.0405 117.7900 59.0941 30.0867 178.9930 9 A 3.8648 8.0973 120.6912 55.4469 18.3267 179.7097 10 T 3.5115 7.6951 114.5491 66.7416 68.4340 176.9027 11 I 3.6561 7.5455 121.5238 64.1438 37.0532 178.4082 12 K 3.8804 7.7338 120.2050 59.4282 31.7957 178.0487 13 D 4.2618 8.0355 117.3716 57.5766 41.4449 177.8554 14 I 3.4563 7.7294 120.0357 64.7173 37.0487 178.4465 15 F 4.2573 8.3798 118.4257 60.6222 38.5723 177.9298 16 S 4.2550 8.3489 112.8559 60.5815 62.9605 175.1793 17 K 4.3857 7.7903 120.0512 56.6755 32.6496 176.6726 18 L 4.2204 7.5741 120.1468 54.0717 42.3546 176.6257 19 E 4.4027 8.5519 124.3377 54.6766 28.9123 175.5236 20 Y 4.3223 8.9874 125.1681 61.2925 38.0797 178.4431 21 D 4.8759 8.1793 114.5245 53.4164 40.1899 176.4811 22 V 4.1808 7.6679 117.9998 64.8729 33.2081 177.4242 23 V 3.6479 8.1802 118.3625 65.7204 31.3309 177.9969 24 G 3.6068 8.2913 105.6375 47.4352 0.0000 173.6712 25 P 4.2227 0.0000 0.0000 64.9530 31.3605 178.4661 26 A 3.9394 7.8854 119.3382 55.4582 18.2577 179.7909 27 T 3.7511 8.0501 114.2114 66.7789 68.5443 176.6969 28 L 3.9002 7.9165 121.9292 58.0161 42.0482 178.7626 29 A 3.8687 8.2241 121.0944 55.1080 18.2886 179.5753 30 R 3.7260 8.1462 117.3837 59.6602 30.0670 178.2812 31 C 4.1482 8.1574 118.4815 62.5580 31.4440 175.6073 32 L 3.9375 8.0518 121.8300 56.5518 40.8421 179.5781 33 V 3.5526 7.0295 117.2877 65.6368 31.8200 178.0104 34 V 3.4732 7.7017 116.8729 64.4827 32.7617 175.6227 35 Y 3.7142 7.4470 115.6233 53.7441 38.0856 173.7361 36 P 4.4682 0.0000 0.0000 64.5863 31.8427 177.8499 37 W 4.3438 7.8628 114.7970 59.2715 27.8199 177.8311 38 T 4.3108 7.8271 110.6468 63.9803 68.1796 175.9557 39 Q 4.2300 8.2715 121.2377 57.8323 28.4790 177.6631 40 R 3.6801 7.5070 119.9660 59.1990 29.9083 176.2676 41 Y 4.3846 6.4444 112.5749 57.7672 38.2046 175.5073 42 F 4.7114 7.9187 120.0129 56.8752 39.8352 177.7111 43 G 3.7427 8.4649 111.0803 47.9637 0.0000 175.1842 44 K 4.5871 8.3120 117.3270 56.4321 32.2035 176.7593 45 F 4.4353 8.4700 117.2995 57.3673 39.9221 176.5824 46 G 3.8930 8.1150 106.1553 43.8423 0.0000 172.3383 47 N 4.5178 8.6450 120.2257 54.2019 39.0923 175.6311 48 L 4.8643 8.4974 124.3659 54.7164 43.6806 177.7981 49 Y 4.1771 8.6956 119.2248 59.1979 38.2177 175.5070 50 N 4.6353 7.1932 117.4001 50.2879 41.6272 174.9941 51 A 3.8361 8.3973 122.0759 55.4487 18.4189 179.7347 52 A 3.8423 8.2065 118.9564 55.1746 18.1939 179.7289 53 A 3.8869 7.8343 117.7479 55.3724 18.9311 179.4510 54 I 3.7484 7.8895 118.2400 64.4452 36.9216 178.5897 55 A 4.0161 7.9690 120.7193 54.6078 18.2826 178.7385 56 Q 4.4882 7.5631 113.8101 55.3820 29.4947 176.0037 57 N 4.5072 7.7451 119.6779 52.9314 39.4682 174.9736 58 A 4.0555 8.5863 131.2601 55.5004 18.5690 178.8798 59 M 4.0073 8.1307 116.9319 58.2477 31.9902 178.9736 60 V 3.6754 8.3595 118.5282 66.1404 31.7547 178.1337 61 S 4.1104 8.0356 114.9116 61.6113 62.8404 176.6377 62 K 3.9475 8.2222 122.1438 59.9719 31.9688 178.3134 63 H 4.5760 8.6791 118.5398 58.9583 29.7814 177.4990 64 G 3.6034 8.3639 108.1557 48.0052 0.0000 175.8887 65 T 3.9730 7.9968 118.1689 66.6142 68.4687 176.8722 66 T 3.9648 7.7903 117.2482 66.7373 68.2851 176.6777 67 I 3.7278 7.5186 120.2592 64.3971 37.4615 178.1674 68 L 4.0619 7.8827 119.7409 57.9662 41.4757 179.4389 69 N 4.8393 8.6813 116.7281 56.1722 38.2597 177.4351 70 G 3.8593 8.0491 105.9354 46.8244 0.0000 174.8307 71 L 4.9134 7.8412 121.8404 55.6300 41.8598 178.4027 72 D 4.3827 8.0904 119.8932 57.3721 40.2232 178.8478 73 R 3.8217 8.0090 115.8107 59.0624 29.1358 178.7325 74 A 4.0066 7.8305 120.4133 54.9124 18.6715 179.1824 75 V 3.3934 7.5362 115.8201 65.9534 31.6047 177.8510 76 K 4.2079 8.0030 118.5473 58.2429 33.3691 176.3625 77 N 4.8654 7.7569 116.6596 51.8530 39.2381 174.1764 78 M 4.3421 8.2150 121.3371 56.8544 32.3706 176.8745 79 D 5.0161 7.9484 117.7813 54.5462 41.5581 176.0368 80 D 4.9134 8.0716 119.0903 53.0587 42.3536 177.4917 81 I 3.7689 8.2364 120.8275 64.1825 36.8556 177.6897 82 T 3.9842 7.7807 116.5373 66.3553 68.8469 175.9158 83 N 4.4963 8.1019 117.6820 56.6643 38.4241 177.4561 84 T 3.7927 7.8256 116.2175 66.0655 68.8000 175.1898 85 Y 4.6417 7.6387 115.8821 57.5864 38.2044 177.2397 86 A 4.0126 7.7228 124.1799 55.3591 18.5246 179.8833 87 E 3.8660 8.1222 117.2041 59.4383 29.8272 178.6318 88 L 4.0811 7.9668 119.8777 57.9753 42.1965 178.7894 89 S 4.2604 8.3861 113.6889 61.4311 62.3926 176.2729 90 V 3.4726 7.7879 121.0096 65.6638 31.1551 177.6617 91 L 3.8492 7.9545 120.0410 58.6778 41.9972 178.7159 92 H 4.0894 8.3712 116.0388 58.9502 28.4761 177.6452 93 S 3.6158 7.8711 115.0105 60.8108 62.0338 175.5244 94 E 4.2067 8.3188 120.1038 56.6860 29.7111 176.8824 95 K 4.2366 7.6155 118.0675 57.8355 33.5647 177.0290 96 L 4.1365 7.7996 116.3618 55.0453 42.3567 176.4010 97 H 4.3687 7.6884 113.7023 55.5178 26.0425 174.8841 98 V 3.3141 7.9805 118.2357 61.0601 32.7039 174.6470 99 D 4.3266 8.9437 127.7253 53.4233 41.2909 175.0688 100 P 2.9700 0.0000 0.0000 65.0611 30.9020 177.6725 101 D 4.2629 8.0934 118.2361 57.1793 40.9631 177.6636 102 N 4.4348 8.1230 117.0914 55.8681 38.3373 177.3021 103 F 4.4641 7.5866 119.7343 60.4401 38.9789 177.4886 104 K 3.9677 7.9620 118.9859 59.4331 31.9999 178.9123 105 L 3.7978 7.7552 118.8359 57.5803 41.4753 179.0339 106 L 4.0243 8.3173 120.3704 58.0892 42.0208 178.7878 107 A 4.0621 8.2860 120.8315 55.4081 18.3081 179.3298 108 D 4.4448 8.3627 117.3285 57.8433 40.8187 178.8945 109 C 4.2328 8.3609 117.2854 62.6349 28.1288 175.8699 110 L 3.9843 8.3810 122.3087 58.4812 41.6107 179.1585 111 T 3.9519 8.3671 115.7713 66.7090 68.4297 176.6996 112 I 3.6158 7.7980 121.7233 64.2806 37.1478 178.7074 113 V 3.4468 7.9651 119.3778 65.9435 31.3725 178.2417 114 V 3.2778 8.0103 118.1214 65.6746 31.2360 177.7845 115 A 3.1242 7.5337 120.4863 54.8861 17.9454 179.5306 116 A 3.8602 7.5444 118.0899 55.0276 18.4358 179.6045 117 R 3.6312 7.4419 116.6033 59.0082 30.5050 177.9888 118 F 4.6862 8.1145 115.7242 56.2165 39.9104 177.3043 119 G 3.8001 8.7542 108.6411 46.2297 0.0000 177.6121 120 S 4.1317 8.9473 118.2497 60.4920 62.7640 175.2916 121 A 4.1506 7.9080 123.2731 54.2172 18.6807 177.9676 122 F 4.4673 8.0717 120.8332 57.0925 37.8751 175.0089 123 T 4.3182 7.4035 116.4552 60.6939 71.3867 175.5391 124 G 3.6445 8.4634 107.0297 47.9599 0.0000 175.6634 125 E 3.9884 8.0330 120.4080 59.2103 29.4774 179.4539 126 V 3.6175 7.6814 117.9638 65.8559 31.4895 177.8231 127 Q 3.4944 8.0309 119.5090 58.8610 28.8275 178.0696 128 A 4.0430 8.3126 121.8152 55.2337 18.4281 179.4633 129 A 4.1476 8.0634 118.9615 55.3208 18.4154 179.5867 130 F 4.2160 8.6200 119.4033 61.8220 39.4773 177.4602 131 Q 4.0758 8.8634 118.0902 58.6547 28.5599 178.6596 132 K 4.0337 8.4749 121.0034 59.3568 32.3111 178.6714 133 F 4.4948 8.6673 121.0260 61.8774 39.3429 177.0315 134 M 3.7022 8.2549 118.2612 58.1503 31.6124 178.6119 135 A 3.9729 8.3273 121.3663 55.1371 18.4884 179.8990 136 V 3.5002 7.6888 116.3219 65.8942 31.5131 178.4664 137 V 3.2500 7.3318 117.9797 65.8793 31.1137 178.0938 138 V 3.3333 7.5973 116.9109 65.9441 31.5651 177.5788 139 S 4.2040 8.1338 112.8066 61.5224 61.8338 176.2471 140 S 4.1449 8.1037 117.8561 61.7543 62.3977 176.8326 141 L 4.0414 7.8580 120.5498 56.7793 41.2049 178.7520 142 G 4.0701 7.7296 103.6676 44.9715 0.0000 175.7226 143 K 4.1327 7.7330 120.3582 59.1749 32.0617 177.4767 144 Q 4.4570 8.1289 116.2984 55.9658 28.6326 174.9580 145 Y 4.2299 7.8053 117.2643 57.5990 38.4249 175.9936 146 R 4.2579 8.3604 122.9142 56.5407 31.3325 174.8876 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 V 8.05 3.60 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.69 0.00 0.00 2 E 8.15 4.13 0.00 1.92 1.76 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 2.18 2.45 0.00 3 W 8.23 4.80 0.00 3.36 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 4 T 9.07 4.60 4.37 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 1.31 0.00 0.00 5 D 8.62 4.44 0.00 2.79 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 6 F 8.29 4.13 0.00 3.16 3.12 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 7 E 8.33 3.91 0.00 2.54 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 2.61 2.68 0.00 8 R 8.04 3.65 0.00 1.99 1.87 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.86 0.00 9 A 8.10 3.86 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 10 T 7.70 3.51 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 0.99 0.00 0.00 11 I 7.55 3.66 1.45 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 1.41 0.29 -0.08 0.00 0.00 12 K 7.73 3.88 0.00 1.80 1.87 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.46 7.81 13 D 8.04 4.26 0.00 2.65 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 14 I 7.73 3.46 1.91 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 0.93 0.49 0.53 0.00 0.00 15 F 8.38 4.26 0.00 3.24 3.33 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 16 S 8.35 4.25 0.00 4.05 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 17 K 7.79 4.39 0.00 2.19 2.15 0.00 1.82 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.58 7.81 18 L 7.57 4.22 0.00 1.93 1.75 0.59 0.76 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 19 E 8.55 4.40 0.00 2.00 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 2.54 2.33 0.00 20 Y 8.99 4.32 0.00 3.06 3.05 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 21 D 8.18 4.88 0.00 2.80 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 22 V 7.67 4.18 2.21 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 1.03 0.00 0.00 1.01 0.00 0.00 23 V 8.18 3.65 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 0.89 0.00 0.00 24 G 8.29 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.22 0.00 2.16 2.12 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 26 A 7.89 3.94 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 27 T 8.05 3.75 4.41 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 1.24 0.00 0.00 28 L 7.92 3.90 0.00 1.72 1.59 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.22 3.87 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 30 R 8.15 3.73 0.00 1.91 2.05 0.00 3.06 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 31 C 8.16 4.15 0.00 3.18 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 32 L 8.05 3.94 0.00 1.75 1.60 0.63 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.03 3.55 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 0.69 0.00 0.00 0.89 0.00 0.00 34 V 7.70 3.47 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 0.02 0.00 0.00 0.73 0.00 0.00 35 Y 7.45 3.71 0.00 2.59 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 36 P 0.00 4.47 0.00 2.20 2.12 0.00 3.56 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 37 W 7.86 4.34 0.00 3.54 3.49 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 0.00 0.00 0.00 38 T 7.83 4.31 4.43 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 1.22 0.00 0.00 39 Q 8.27 4.23 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 40 R 7.51 3.68 0.00 1.60 1.13 0.00 3.06 0.00 0.00 2.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.40 0.00 41 Y 6.44 4.38 0.00 2.15 2.54 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 42 F 7.92 4.71 0.00 2.90 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 3.74 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 0.00 0.00 0.00 44 K 8.31 4.59 0.00 1.94 1.90 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.52 7.81 45 F 8.47 4.44 0.00 3.31 3.20 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 46 G 8.11 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 0.00 0.00 0.00 47 N 8.65 4.52 0.00 2.79 2.83 0.00 0.00 6.57 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.50 4.86 0.00 1.74 1.57 1.05 0.83 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 49 Y 8.70 4.18 0.00 3.03 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 50 N 7.19 4.64 0.00 2.57 2.18 0.00 0.00 6.67 6.93 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 51 A 8.40 3.84 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 52 A 8.21 3.84 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 53 A 7.83 3.89 1.22 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 0.00 0.00 54 I 7.89 3.75 1.92 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 1.40 1.23 0.83 0.00 0.00 55 A 7.97 4.02 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 56 Q 7.56 4.49 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 57 N 7.75 4.51 0.00 2.98 2.84 0.00 0.00 6.99 7.87 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 58 A 8.59 4.06 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 59 M 8.13 4.01 0.00 1.57 2.43 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 60 V 8.36 3.68 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 0.99 0.00 0.00 0.92 0.00 0.00 61 S 8.04 4.11 0.00 4.09 3.92 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 62 K 8.22 3.95 0.00 1.96 2.03 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.50 7.81 63 H 8.68 4.58 0.00 3.78 3.59 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.36 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.00 3.97 4.45 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 1.35 0.00 0.00 66 T 7.79 3.96 4.47 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 1.31 0.00 0.00 67 I 7.52 3.73 1.98 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 1.54 0.43 0.92 0.00 0.00 68 L 7.88 4.06 0.00 1.72 1.17 0.62 0.56 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 69 N 8.68 4.84 0.00 3.15 3.00 0.00 0.00 6.94 8.42 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 70 G 8.05 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 71 L 7.84 4.91 0.00 1.85 1.61 1.18 0.96 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 72 D 8.09 4.38 0.00 2.95 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 73 R 8.01 3.82 0.00 1.85 2.09 0.00 2.37 0.00 0.00 3.04 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.12 0.00 74 A 7.83 4.01 1.58 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 75 V 7.54 3.39 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 0.64 0.00 0.00 0.22 0.00 0.00 76 K 8.00 4.21 0.00 1.88 1.89 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.41 7.81 77 N 7.76 4.87 0.00 2.70 2.57 0.00 0.00 7.18 7.53 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 78 M 8.22 4.34 0.00 1.16 1.68 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.32 0.00 79 D 7.95 5.02 0.00 2.83 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 D 8.07 4.91 0.00 2.74 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 81 I 8.24 3.77 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.07 1.10 0.00 0.00 82 T 7.78 3.98 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 1.24 0.00 0.00 83 N 8.10 4.50 0.00 3.00 2.85 0.00 0.00 7.01 7.05 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 84 T 7.83 3.79 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 0.74 0.00 0.00 85 Y 7.64 4.64 0.00 3.08 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 86 A 7.72 4.01 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 87 E 8.12 3.87 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 2.39 2.37 0.00 88 L 7.97 4.08 0.00 1.96 1.80 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.39 4.26 0.00 4.17 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 90 V 7.79 3.47 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 0.90 0.00 0.00 0.97 0.00 0.00 91 L 7.95 3.85 0.00 1.91 1.86 0.90 0.89 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 92 H 8.37 4.09 0.00 3.51 3.68 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.87 3.62 0.00 2.72 3.45 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 94 E 8.32 4.21 0.00 1.94 1.93 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 2.25 2.16 0.00 95 K 7.62 4.24 0.00 1.61 1.98 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.44 7.81 96 L 7.80 4.14 0.00 1.71 1.58 0.71 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.69 4.37 0.00 3.37 3.41 0.00 5.74 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.98 3.31 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 0.07 0.00 0.00 0.41 0.00 0.00 99 D 8.94 4.33 0.00 2.80 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 0.00 100 P 0.00 2.97 0.00 1.94 1.39 0.00 3.42 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.07 0.00 101 D 8.09 4.26 0.00 2.72 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 0.00 102 N 8.12 4.43 0.00 2.66 2.87 0.00 0.00 6.88 7.72 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 0.00 103 F 7.59 4.46 0.00 3.11 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 0.00 104 K 7.96 3.97 0.00 1.80 1.88 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.49 7.81 105 L 7.76 3.80 0.00 1.72 1.04 0.88 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.32 4.02 0.00 1.92 1.94 0.97 1.44 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 0.00 107 A 8.29 4.06 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 0.00 108 D 8.36 4.44 0.00 3.03 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 0.00 109 C 8.36 4.23 0.00 3.23 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 0.00 110 L 8.38 3.98 0.00 1.94 2.07 0.96 1.41 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 0.00 111 T 8.37 3.95 4.58 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 1.57 0.00 0.00 112 I 7.80 3.62 2.00 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 1.70 1.10 0.86 0.00 0.00 113 V 7.97 3.45 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 0.88 0.00 0.00 0.92 0.00 0.00 114 V 8.01 3.28 1.38 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 0.53 0.00 0.00 0.62 0.00 0.00 115 A 7.53 3.12 1.10 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 0.00 0.00 116 A 7.54 3.86 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 0.00 117 R 7.44 3.63 0.00 1.42 1.67 0.00 2.84 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 118 F 8.11 4.69 0.00 3.23 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 0.00 119 G 8.75 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.95 4.13 0.00 4.03 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 0.00 121 A 7.91 4.15 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 0.00 122 F 8.07 4.47 0.00 3.00 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 0.00 123 T 7.40 4.32 4.34 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 0.00 0.00 0.00 1.27 0.00 0.00 124 G 8.46 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 0.00 0.00 0.00 125 E 8.03 3.99 0.00 2.08 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 2.19 2.32 0.00 126 V 7.68 3.62 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 0.85 0.00 0.00 0.99 0.00 0.00 127 Q 8.03 3.49 0.00 1.70 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 128 A 8.31 4.04 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 0.00 129 A 8.06 4.15 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 4.22 0.00 3.38 3.45 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 0.00 131 Q 8.86 4.08 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.83 0.00 132 K 8.47 4.03 0.00 2.10 2.31 0.00 1.71 0.00 0.00 1.91 0.00 0.00 2.16 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.56 1.46 7.81 133 F 8.67 4.49 0.00 3.06 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 0.00 134 M 8.25 3.70 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.99 0.00 135 A 8.33 3.97 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 0.00 136 V 7.69 3.50 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 1.09 0.00 0.00 1.10 0.00 0.00 137 V 7.33 3.25 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.26 0.00 0.00 138 V 7.60 3.33 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 0.92 0.00 0.00 0.96 0.00 0.00 139 S 8.13 4.20 0.00 3.99 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 0.00 140 S 8.10 4.14 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.86 4.04 0.00 1.04 0.67 -0.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.73 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 0.00 143 K 7.73 4.13 0.00 1.94 1.94 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.78 7.81 144 Q 8.13 4.46 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 145 Y 7.81 4.23 0.00 3.05 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 0.00 146 R 8.36 4.26 0.00 1.74 1.76 0.00 3.25 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00