NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5327 8.1633 120.2824 55.1611 34.4063 173.6293 2 K 4.7007 8.4191 121.1328 54.6042 34.4159 170.4983 3 V 4.8513 8.4640 116.0850 59.7512 37.2798 173.6586 4 I 4.9830 8.8918 124.7280 58.4620 39.8068 174.3919 5 L 4.7132 8.4874 130.5352 54.1931 42.4351 176.9625 6 L 4.6524 7.4541 121.7327 54.2969 39.5739 176.3242 7 E 5.2310 7.5146 118.8860 56.0428 32.4904 174.6841 8 P 4.7856 0.0000 0.0000 62.9348 32.6768 175.6962 9 L 4.7139 8.6142 121.9002 53.0796 45.2400 177.1555 10 E 3.8960 9.3720 123.7958 59.4999 29.1073 177.3492 11 N 4.1553 7.6658 115.1419 55.9757 39.4389 175.3066 12 L 4.2695 8.8031 119.5295 55.8931 43.4438 177.5815 13 G 4.6635 6.9298 103.5474 44.5059 0.0000 171.4619 14 D 4.6770 7.9651 119.4843 53.6755 41.3640 176.6247 15 V 3.5973 8.2204 121.1306 64.1003 31.8500 177.2086 16 G 3.9539 8.4502 109.4862 45.9699 0.0000 173.9688 17 Q 4.3780 7.4642 119.5314 55.5171 31.0974 175.2321 18 V 4.7807 8.0851 120.0613 62.2335 33.2925 174.1775 19 V 4.6390 8.4549 127.1064 59.7252 35.1623 174.4761 20 D 5.5743 8.5928 122.0955 53.9830 41.3330 176.1463 21 V 4.7064 8.2242 115.3181 59.0171 35.7819 175.6584 22 K 4.1461 8.6424 121.6640 55.9402 32.8593 176.4903 23 P 4.4337 0.0000 0.0000 66.0580 31.2128 178.5851 24 G 3.8254 8.3438 103.5319 48.3526 0.0000 174.4100 25 Y 4.6468 8.2263 121.1781 61.0315 38.7117 177.8632 26 A 4.1214 7.9878 120.7507 53.9748 18.2263 179.3053 27 R 3.9505 8.6908 117.2425 58.5483 30.6134 178.2760 28 N 5.0200 8.0667 113.7222 52.6104 38.8776 174.0193 29 Y 4.4794 7.1907 123.9455 58.0121 46.7809 175.5997 30 L 3.6534 8.1712 119.4562 58.0062 42.4471 179.8936 31 L 4.1329 8.1133 121.0542 57.3162 41.7920 177.2439 32 P 4.3234 0.0000 0.0000 65.3115 31.5767 178.5293 33 R 3.9673 7.8308 116.3783 57.2774 29.5955 178.0006 34 G 3.8817 7.5329 105.4103 45.4254 0.0000 175.0614 35 L 3.6688 7.6283 119.7663 56.5963 41.6526 176.1257 36 A 4.5125 7.2345 119.1120 51.1453 23.3972 175.0980 37 V 4.4430 8.4359 117.8617 60.7703 35.5559 173.8784 38 L 4.1271 8.7344 128.4436 55.0994 42.2745 177.4348 39 A 4.5207 7.9940 132.6464 51.3065 17.0380 176.4119 40 T 3.9455 7.8153 112.5554 61.8143 69.8988 174.9833 41 E 3.8819 8.8791 120.7864 59.7203 29.4013 178.4677 42 S 4.1347 7.8356 114.5264 61.8637 62.9175 176.7642 43 N 4.2900 8.0617 118.2105 56.4246 38.3729 177.0318 44 L 3.9447 7.7070 120.2008 58.2303 41.7625 179.9926 45 K 4.0225 7.9912 117.3801 59.0846 31.9627 179.0976 46 A 4.1056 8.3923 121.0054 54.2596 18.1958 178.8073 47 L 4.1166 7.8651 118.6454 56.9732 42.3935 178.1873 48 E 3.8873 7.8394 118.5559 59.3783 29.4191 178.6898 49 A 3.9603 7.9681 120.4408 55.7229 18.2294 179.6892 50 R 3.9322 7.4998 115.0284 60.0678 30.2131 177.7442 51 I 3.9929 7.9399 120.2837 62.5340 37.1549 177.9540 52 R 3.8420 8.7350 118.7388 59.6608 29.9466 178.5836 53 A 3.9701 8.3456 120.5618 55.6203 18.3485 179.4798 54 Q 3.9866 8.0380 116.4827 58.6948 28.7611 177.3008 55 A 3.9879 8.6550 123.3163 55.1131 18.4444 179.4321 56 K 3.9149 8.4662 117.3081 59.1843 32.3501 179.0533 57 R 3.8723 7.5969 118.9021 59.5758 29.9811 178.3718 58 L 3.9935 8.2415 118.4537 57.8749 41.6620 179.5347 59 A 4.0684 7.7618 119.9298 55.0794 18.0783 179.1713 60 E 4.0324 8.1115 116.7567 58.6680 30.0730 179.0658 61 R 4.0685 7.8299 118.4359 59.2496 30.4124 178.4168 62 K 3.8281 8.4901 119.5610 60.0441 31.9230 177.5524 63 A 3.9775 7.9910 120.8876 55.3974 17.8832 178.5375 64 E 4.0186 8.3440 111.8625 57.1580 29.5424 178.4709 65 A 4.1001 7.8541 120.7886 55.0399 19.1687 179.5056 66 E 4.1296 7.9707 115.3441 57.9678 29.5550 179.5944 67 R 3.8161 7.7952 119.0232 59.2173 30.3650 178.5129 68 L 4.0589 7.3471 118.4913 57.3665 41.3747 179.0283 69 K 3.4506 8.6373 120.0047 59.7573 31.5496 178.5132 70 E 3.8874 7.7123 118.2276 59.0052 29.3437 178.9122 71 I 3.7087 7.0896 116.2901 64.1381 38.2425 177.8374 72 L 4.0543 8.5622 119.1810 56.9288 41.3921 178.5835 73 E 4.1630 7.4689 118.7029 58.1198 30.5474 176.6469 74 N 4.7737 7.4604 114.8400 51.8863 38.5673 174.5706 75 L 4.4174 7.0392 116.1061 54.4109 45.1762 173.0656 76 T 4.7873 8.2750 113.4809 59.9778 71.8220 173.7218 77 L 4.3791 8.9190 126.3002 53.9282 42.0237 175.7626 78 T 4.1846 8.0131 119.0239 63.8138 69.2693 174.8886 79 I 4.3044 9.0874 129.3641 58.9379 38.2179 172.2439 80 P 4.5651 0.0000 0.0000 62.0499 31.6415 175.9854 81 V 4.4799 8.5371 124.8107 61.4496 34.2984 174.1675 82 R 4.0760 8.3830 126.2210 55.1857 31.8717 174.7917 83 A 3.6916 7.6437 120.3676 49.6336 21.9370 180.0457 84 G 3.9264 8.1462 110.1253 45.4246 0.0000 175.4115 85 E 4.5844 8.7668 124.2059 56.3270 30.7599 175.1854 86 T 4.7798 7.5071 114.2489 64.8084 76.4400 174.2000 87 K 4.7277 8.0682 121.7814 56.2160 34.0088 174.8942 88 I 4.4739 8.1175 123.8870 59.7326 38.9335 176.3458 89 Y 4.4183 7.9037 123.3886 58.9802 36.6595 177.0247 90 G 4.0583 10.5958 115.8766 44.6780 0.0000 171.3931 91 S 4.8802 8.2453 116.9319 57.1519 65.6421 173.9843 92 V 4.6836 8.4640 125.3067 60.4191 33.5696 175.3691 93 T 4.6917 8.3505 115.6544 59.8402 71.7288 175.1275 94 A 4.0200 8.5423 121.8402 55.1446 18.2921 179.3281 95 K 3.8017 8.2475 118.4138 59.9416 32.0735 178.7429 96 D 4.3106 8.0157 118.2134 57.6589 40.9571 178.3699 97 I 3.6444 8.1492 120.4755 64.5644 36.9956 178.2135 98 A 4.1406 8.4752 121.5790 55.0654 18.4571 179.3194 99 E 3.8765 8.2964 117.6453 59.2926 29.6682 178.5795 100 A 3.9909 8.3213 121.2330 55.1806 18.2524 179.4154 101 L 3.9133 7.5060 117.1553 58.4783 42.3182 179.1551 102 S 4.3905 8.5002 114.0681 59.9482 62.2164 175.5399 103 R 4.1383 8.0761 120.9318 58.6186 30.3589 178.1072 104 Q 4.1116 8.4674 118.6820 58.6619 29.0920 176.3723 105 H 4.7575 8.4757 113.7108 59.0677 34.5579 174.3679 106 G 4.4584 7.6063 103.5767 46.0996 0.0000 173.6875 107 I 3.8154 7.8325 121.6402 60.9946 38.3111 174.6881 108 T 4.4919 8.2949 124.9860 62.6107 69.7161 174.3221 109 I 4.6003 7.8333 117.0001 59.2172 40.2991 174.0651 110 D 4.4669 9.0794 124.2725 53.6196 41.5290 175.3112 111 P 4.2799 0.0000 0.0000 65.8257 31.6794 177.9105 112 K 4.0684 7.9657 117.3414 59.3193 32.3563 179.7157 113 R 4.0038 7.1205 119.4031 55.1556 28.8779 176.4612 114 L 4.5404 7.2210 119.3603 53.2523 44.9772 175.3895 115 A 4.1022 8.9347 130.1242 52.3346 18.7647 176.7869 116 L 3.8155 7.9364 119.9596 56.5266 44.2474 173.2607 117 E 3.8730 9.3958 128.4031 57.8518 28.8730 178.1784 118 K 4.1618 8.6417 114.7661 54.9244 34.4382 175.8931 119 P 4.3961 0.0000 0.0000 63.2377 32.0755 175.8110 120 I 3.9260 8.3434 122.5900 61.5494 37.9581 176.3170 121 K 4.6582 8.7362 124.7440 55.7762 34.2725 175.3885 122 E 4.6311 8.3229 118.0486 56.5923 30.7286 175.5112 123 L 4.4243 9.1324 124.6488 53.1190 43.5675 177.6803 124 G 3.6779 6.4735 111.1232 45.5766 0.0000 170.1405 125 E 4.9283 7.6512 117.7770 53.6528 32.6141 174.6638 126 Y 4.9216 8.4097 119.2509 56.2676 42.9970 174.4288 127 V 5.4019 8.2889 118.6580 61.0254 33.2712 174.3552 128 L 4.5496 8.4697 127.6030 54.0065 44.0323 175.9772 129 T 4.8517 8.3360 118.6964 62.6939 70.0006 173.5217 130 Y 4.8297 8.9333 128.9024 56.8451 41.1308 175.1108 131 K 4.5676 8.4067 123.5164 56.4328 33.4073 173.3839 132 P 4.6133 0.0000 0.0000 64.1729 32.3643 176.2337 133 H 4.8516 7.8565 117.2962 53.7665 32.6888 171.9442 134 P 4.7521 0.0000 0.0000 63.3491 30.5429 176.7733 135 E 4.6910 8.1735 114.7733 56.6180 31.8082 175.7446 136 V 4.4411 7.9088 116.4193 60.9131 31.3543 172.9177 137 P 4.8350 0.0000 0.0000 62.2779 33.0551 176.8765 138 I 4.5096 8.4826 122.4901 59.7732 41.0641 174.7980 139 Q 4.4190 8.2571 124.7873 55.4128 29.0194 175.7595 140 L 4.4888 8.9017 128.6831 53.4478 43.4066 176.0074 141 K 4.8020 8.5971 126.2621 56.8551 33.6942 176.5609 142 V 5.0240 8.4075 115.4499 61.1515 37.2830 173.9310 143 S 4.8329 8.5440 111.5194 57.9396 64.3847 174.6083 144 V 4.3192 8.5038 126.9293 62.9355 33.1881 176.0779 145 V 4.0535 8.2946 118.0427 62.1573 33.3446 172.8018 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 M 8.16 4.53 0.00 1.98 2.30 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 2 K 8.42 4.70 0.00 1.83 1.72 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.61 7.81 3 V 8.46 4.85 2.17 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 0.85 0.00 0.00 0.98 0.00 0.00 4 I 8.89 4.98 1.87 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 0.90 2.30 0.90 0.00 0.00 5 L 8.49 4.71 0.00 1.93 1.75 1.02 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.45 4.65 0.00 1.62 1.73 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.51 5.23 0.00 1.95 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 2.02 2.14 0.00 8 P 0.00 4.79 0.00 2.12 2.04 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 9 L 8.61 4.71 0.00 1.66 1.60 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.37 3.90 0.00 1.97 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 2.36 2.30 0.00 11 N 7.67 4.16 0.00 2.78 2.81 0.00 0.00 6.95 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 12 L 8.80 4.27 0.00 1.72 1.74 1.03 1.06 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 13 G 6.93 4.66 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 0.00 0.00 0.00 14 D 7.97 4.68 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.60 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 1.02 0.00 0.00 0.92 0.00 0.00 16 G 8.45 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 0.00 0.00 0.00 17 Q 7.46 4.38 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 18 V 8.09 4.78 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 0.93 0.00 0.00 19 V 8.45 4.64 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 0.77 0.00 0.00 0.97 0.00 0.00 20 D 8.59 5.57 0.00 2.59 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 21 V 8.22 4.71 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 0.91 0.00 0.00 1.00 0.00 0.00 22 K 8.64 4.15 0.00 1.85 1.75 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.47 7.81 23 P 0.00 4.43 0.00 2.18 2.14 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 24 G 8.34 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 25 Y 8.23 4.65 0.00 2.95 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 26 A 7.99 4.12 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 27 R 8.69 3.95 0.00 1.78 2.07 0.00 3.15 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 28 N 8.07 5.02 0.00 2.72 2.87 0.00 0.00 6.87 7.50 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 29 Y 7.19 4.48 0.00 3.04 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 30 L 8.17 3.65 0.00 1.61 1.53 0.39 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.11 4.13 0.00 1.86 1.62 0.95 0.71 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 32 P 0.00 4.32 0.00 2.01 2.06 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 33 R 7.83 3.97 0.00 1.57 1.74 0.00 2.21 0.00 0.00 2.55 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 34 G 7.53 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 0.00 0.00 0.00 35 L 7.63 3.67 0.00 1.61 1.64 0.69 0.54 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 36 A 7.23 4.51 1.08 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 37 V 8.44 4.44 2.19 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 0.96 0.00 0.00 0.90 0.00 0.00 38 L 8.73 4.13 0.00 1.67 1.60 0.92 1.04 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 39 A 7.99 4.52 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 40 T 7.82 3.95 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 1.29 0.00 0.00 41 E 8.88 3.88 0.00 2.05 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 2.38 2.41 0.00 42 S 7.84 4.13 0.00 3.90 3.91 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 0.00 0.00 0.00 0.00 43 N 8.06 4.29 0.00 2.93 2.85 0.00 0.00 7.07 6.74 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 44 L 7.71 3.94 0.00 1.87 1.76 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.99 4.02 0.00 1.91 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 46 A 8.39 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.87 4.12 0.00 1.92 1.86 0.92 0.76 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 48 E 7.84 3.89 0.00 2.17 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 2.53 2.48 0.00 49 A 7.97 3.96 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 50 R 7.50 3.93 0.00 2.00 1.98 0.00 3.42 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 51 I 7.94 3.99 2.01 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 1.52 0.84 0.91 0.00 0.00 52 R 8.73 3.84 0.00 1.94 2.03 0.00 3.19 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 53 A 8.35 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 54 Q 8.04 3.99 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 55 A 8.66 3.99 1.34 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 0.00 0.00 0.00 56 K 8.47 3.91 0.00 1.81 1.99 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.60 7.81 57 R 7.60 3.87 0.00 2.15 2.03 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 58 L 8.24 3.99 0.00 1.74 1.74 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.76 4.07 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 60 E 8.11 4.03 0.00 2.09 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 2.32 2.35 0.00 61 R 7.83 4.07 0.00 2.08 1.98 0.00 3.23 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 62 K 8.49 3.83 0.00 1.76 2.01 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.43 1.63 7.81 63 A 7.99 3.98 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 64 E 8.34 4.02 0.00 2.13 2.01 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 2.30 2.36 0.00 65 A 7.85 4.10 1.37 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 0.00 0.00 66 E 7.97 4.13 0.00 2.08 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 2.31 2.37 0.00 67 R 7.80 3.82 0.00 1.92 1.94 0.00 3.36 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 68 L 7.35 4.06 0.00 1.40 1.52 0.75 0.72 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 69 K 8.64 3.45 0.00 1.89 1.82 0.00 1.49 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 70 E 7.71 3.89 0.00 1.82 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 2.30 2.44 0.00 71 I 7.09 3.71 1.84 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 1.45 0.54 0.96 0.00 0.00 72 L 8.56 4.05 0.00 1.59 1.65 0.81 0.77 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 73 E 7.47 4.16 0.00 2.22 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 2.29 2.38 0.00 74 N 7.46 4.77 0.00 2.79 2.79 0.00 0.00 6.84 7.73 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 75 L 7.04 4.42 0.00 1.50 1.54 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.28 4.79 4.25 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 1.22 0.00 0.00 77 L 8.92 4.38 0.00 1.65 1.72 1.01 0.85 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 78 T 8.01 4.18 4.25 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 1.21 0.00 0.00 79 I 9.09 4.30 1.91 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 1.49 1.58 0.94 0.00 0.00 80 P 0.00 4.57 0.00 1.95 2.03 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 81 V 8.54 4.48 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 0.76 0.00 0.00 0.96 0.00 0.00 82 R 8.38 4.08 0.00 2.01 2.46 0.00 3.50 0.00 0.00 3.49 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 83 A 7.64 3.69 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 84 G 8.15 3.93 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 0.00 0.00 0.00 85 E 8.77 4.58 0.00 1.92 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 2.19 2.22 0.00 86 T 7.51 4.78 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 1.26 0.00 0.00 87 K 8.07 4.73 0.00 1.85 1.68 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.71 7.81 88 I 8.12 4.47 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.98 0.00 0.00 89 Y 7.90 4.42 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 90 G 10.60 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 0.00 0.00 0.00 91 S 8.25 4.88 0.00 3.87 3.71 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 92 V 8.46 4.68 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 0.79 0.00 0.00 0.95 0.00 0.00 93 T 8.35 4.69 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 1.27 0.00 0.00 94 A 8.54 4.02 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 95 K 8.25 3.80 0.00 1.83 1.84 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 96 D 8.02 4.31 0.00 2.87 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 97 I 8.15 3.64 2.00 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 1.58 1.44 0.96 0.00 0.00 98 A 8.48 4.14 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 99 E 8.30 3.88 0.00 2.21 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 2.32 2.34 0.00 100 A 8.32 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.51 3.91 0.00 2.04 1.91 0.84 0.92 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 0.00 102 S 8.50 4.39 0.00 3.92 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 0.00 103 R 8.08 4.14 0.00 2.02 1.94 0.00 3.21 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 104 Q 8.47 4.11 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 105 H 8.48 4.76 0.00 3.23 3.26 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.61 4.46 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 0.00 0.00 0.00 107 I 7.83 3.82 1.84 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 1.33 1.14 0.87 0.00 0.00 108 T 8.29 4.49 4.25 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 1.23 0.00 0.00 109 I 7.83 4.60 2.13 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 1.44 0.80 0.69 0.00 0.00 110 D 9.08 4.47 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 0.00 111 P 0.00 4.28 0.00 2.20 2.18 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 112 K 7.97 4.07 0.00 1.83 1.85 0.00 2.03 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 113 R 7.12 4.00 0.00 1.01 1.70 0.00 3.38 0.00 0.00 3.01 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 114 L 7.22 4.54 0.00 1.32 1.54 1.03 1.08 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 0.00 115 A 8.93 4.10 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 0.00 116 L 7.94 3.82 0.00 1.51 1.47 0.90 0.98 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 0.00 117 E 9.40 3.87 0.00 2.09 1.78 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 0.00 2.23 2.25 0.00 118 K 8.64 4.16 0.00 1.87 1.83 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.35 7.81 119 P 0.00 4.40 0.00 2.08 2.10 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 120 I 8.34 3.93 1.88 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 0.78 0.34 1.05 0.00 0.00 121 K 8.74 4.66 0.00 1.79 1.72 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.54 7.81 122 E 8.32 4.63 0.00 2.07 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 2.35 2.32 0.00 123 L 9.13 4.42 0.00 1.85 1.48 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.47 3.68 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 0.00 0.00 0.00 125 E 7.65 4.93 0.00 1.99 1.79 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 2.01 2.02 0.00 126 Y 8.41 4.92 0.00 2.96 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 0.00 127 V 8.29 5.40 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 0.99 0.00 0.00 0.97 0.00 0.00 128 L 8.47 4.55 0.00 1.68 1.69 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.34 4.85 4.25 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 1.25 0.00 0.00 130 Y 8.93 4.83 0.00 3.12 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 0.00 131 K 8.41 4.57 0.00 1.75 1.80 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.29 7.81 132 P 0.00 4.61 0.00 2.17 2.31 0.00 3.91 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.52 0.00 133 H 7.86 4.85 0.00 3.12 3.07 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.75 0.00 2.06 2.05 0.00 3.30 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 135 E 8.17 4.69 0.00 2.00 1.81 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 2.18 2.31 0.00 136 V 7.91 4.44 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 0.80 0.00 0.00 137 P 0.00 4.84 0.00 2.00 1.99 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 138 I 8.48 4.51 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.01 0.87 0.00 0.00 139 Q 8.26 4.42 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 140 L 8.90 4.49 0.00 1.80 1.75 0.91 0.69 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 0.00 141 K 8.60 4.80 0.00 2.00 1.72 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.55 7.81 142 V 8.41 5.02 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 0.87 0.00 0.00 1.18 0.00 0.00 143 S 8.54 4.83 0.00 3.87 3.68 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 0.00 144 V 8.50 4.32 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 0.91 0.00 0.00 1.08 0.00 0.00 145 V 8.29 4.05 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 0.47 0.00 0.00 1.02 0.00 0.00