NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1020 8.0249 120.7859 60.1438 39.1670 175.2749 4 K 3.7574 8.6692 127.0859 55.8148 32.4025 172.9523 5 E 4.4769 9.1043 124.8739 54.3447 31.7489 174.7318 6 L 3.9135 8.4038 125.1553 53.6863 42.1080 176.8695 7 H 4.0933 8.6614 123.7167 57.1353 30.8985 173.7434 8 V 4.3916 7.8385 124.6675 61.5225 32.9443 174.8855 9 K 4.5353 8.7345 128.3248 55.1925 35.2025 174.6457 10 T 5.2282 8.5989 124.5024 62.1500 70.4395 174.6777 11 V 4.4051 8.7849 125.2775 59.8876 34.7793 175.1982 12 K 4.8522 8.8591 123.3101 54.8990 34.2364 176.2007 13 R 4.0794 8.7728 121.6950 58.4852 30.0459 176.6288 14 G 3.9266 10.4272 113.0819 45.8742 0.0000 172.8603 15 E 4.3452 8.4361 120.0000 56.0093 31.4312 175.3130 16 N 5.3004 8.5664 118.5687 52.3190 40.6330 174.2308 17 V 4.5156 8.7706 124.5387 61.4798 33.8191 174.4154 18 T 4.6901 8.3848 123.5116 62.1266 71.3083 174.2083 19 M 4.5767 8.3085 125.5216 52.3388 32.9278 174.8911 20 E 5.0229 8.3977 122.0737 55.0970 31.0734 176.6866 21 C 5.6459 8.1055 124.6023 56.6306 45.6343 172.6538 22 S 5.1366 8.0569 118.7827 57.1377 64.1437 173.1658 23 M 3.6151 10.0403 129.5434 58.1652 32.1152 177.6233 24 S 3.4610 8.5698 112.5332 59.9391 60.2125 171.6638 25 K 3.7019 8.6808 128.6565 56.7475 29.8739 175.7695 26 V 4.0052 8.9988 119.5727 62.2958 30.6909 175.5964 27 T 3.6820 8.1974 118.8569 63.4384 68.8919 173.6934 28 N 4.7050 8.9446 130.9681 50.2831 39.8144 174.8219 29 K 3.6812 8.2656 126.4434 59.1204 32.2259 178.7602 30 N 4.9070 8.3473 113.7560 54.0393 37.9544 174.9687 31 N 5.0468 8.3100 115.0521 52.5304 41.1954 174.2324 32 L 4.6407 7.6601 121.8900 55.2948 43.4645 175.2860 33 A 5.5024 8.8032 124.8610 50.9945 23.3996 174.8869 34 W 5.4943 9.4097 119.8549 55.4340 32.0448 174.7614 35 Y 5.5988 9.6580 121.9279 56.1093 40.0493 174.4480 36 R 3.7984 8.0383 123.3037 54.5347 32.1647 174.3608 37 Q 4.6201 8.6844 129.0288 54.4124 30.7628 174.5756 38 S 4.2810 8.4146 123.0006 57.5517 64.7544 173.6550 39 F 4.0121 7.6643 120.3175 58.1779 39.0589 175.8600 40 G 4.0760 9.1242 112.6846 46.2384 0.0000 173.0994 41 K 4.7275 7.6765 117.0927 53.4952 36.0228 176.8544 42 V 3.7851 8.2738 120.2407 61.7249 31.6819 174.2233 43 P 4.8274 0.0000 0.0000 62.5170 32.7150 175.4623 44 Q 4.8167 9.2123 119.9894 53.8749 32.6788 174.5718 45 Y 3.2694 8.7870 124.2132 58.3525 39.0467 174.3546 46 F 4.9042 8.3798 128.3936 58.1753 41.7805 175.4756 47 V 4.2531 6.7745 113.6561 60.9008 33.8807 171.5873 48 R 5.1796 8.2195 122.6972 54.8698 32.1859 174.7312 49 Y 4.8423 8.5704 120.9194 57.6038 39.6545 174.0238 50 Y 4.6812 8.3216 126.8161 55.4922 41.7012 174.7014 51 S 3.8249 8.4183 123.1100 59.8582 62.6721 173.8596 52 S 4.6447 7.6946 119.0467 58.5900 65.7528 177.0795 53 N 4.3322 8.0814 117.7917 56.9504 38.3923 176.8305 54 S 4.0276 7.9676 111.2171 60.0820 63.0139 175.3810 55 G 3.9528 8.4595 109.1275 44.4276 0.0000 171.7542 56 Y 5.3985 6.3779 114.3487 55.5211 42.0567 174.9628 57 K 4.4768 8.5183 117.1616 55.7668 36.1773 175.2732 58 F 4.7807 9.3316 126.5190 56.4778 40.4651 174.8410 59 A 4.2200 8.7366 123.1243 51.8482 18.5081 177.1279 60 E 3.8309 9.1055 120.9503 58.8175 30.1605 182.2965 61 G 3.5043 6.6803 106.0851 47.1320 0.0000 174.4896 62 F 5.0710 8.2089 122.6954 56.1037 41.4388 176.2543 63 K 4.1665 6.8554 122.8856 54.2248 32.6234 174.0858 64 D 4.4818 6.5921 119.8986 53.3346 43.4489 175.1239 65 S 4.4270 7.9124 109.4311 58.6796 65.7512 175.8155 66 R 3.8462 7.6646 120.9144 58.5177 30.8459 176.0598 67 F 5.9282 7.0881 116.8037 55.8011 39.9490 175.3197 68 S 5.1372 8.4144 120.0029 57.0044 66.5152 172.3140 69 M 4.8359 7.9007 116.9375 54.5668 36.1046 175.4715 70 T 4.4370 8.9606 120.1966 62.1881 69.9774 173.4400 71 V 4.7475 8.5371 127.2014 61.5459 32.3694 173.7893 72 N 4.9194 8.5294 128.9029 52.2524 39.0786 174.3035 73 D 4.5199 8.8987 115.5916 57.5959 41.2520 177.2626 74 Q 4.3709 8.4123 117.5746 57.3324 30.3715 176.1528 75 K 4.8753 8.6017 117.6331 53.8038 35.4020 176.3062 76 F 5.6958 8.8892 124.8871 57.5951 38.7478 174.6547 77 D 4.9702 8.5247 120.1928 53.6956 42.9762 176.9409 78 L 4.4362 7.9039 125.8357 53.2699 43.6579 174.6070 79 N 5.3243 8.7155 124.1587 51.1821 40.2918 173.7298 80 I 5.1955 8.6930 122.1686 58.7518 40.4454 174.2841 81 I 5.1219 7.8682 127.8538 59.8558 38.5248 175.5469 82 G 3.8567 9.1065 116.6006 44.9534 0.0000 171.3298 83 A 4.1564 8.7255 126.1240 52.5081 19.2873 177.6142 84 R 4.5613 8.4522 118.3889 54.1602 31.5858 176.2822 85 E 2.9695 8.3678 117.5588 58.4136 29.8321 177.5638 86 D 4.7226 7.9352 116.7027 53.9724 39.9012 176.9840 87 D 4.4492 8.9360 120.3955 58.2200 41.7592 179.0611 88 G 4.1579 7.5097 108.3500 43.4048 0.0000 173.7195 89 G 3.4406 8.4156 112.0210 46.4481 0.0000 168.8116 90 E 5.0744 8.6830 119.8426 54.6014 32.4056 175.4892 91 Y 4.7544 8.8241 120.6290 56.3129 41.5858 174.3068 92 F 5.4155 8.9030 124.4219 56.0856 41.4709 174.4341 93 C 4.8055 8.8867 125.4638 54.2856 38.5576 172.8159 94 G 4.2078 8.7100 113.4044 44.6122 0.0000 169.7546 95 E 4.8060 8.1445 121.2046 54.0830 31.5695 175.4595 96 V 3.9648 8.4709 127.6292 62.7594 32.8146 175.1437 97 E 4.5123 8.8277 127.0166 55.8794 33.3787 173.9575 98 G 4.0459 8.5927 114.4892 46.4404 0.0000 174.8750 99 I 4.1998 8.3138 124.4339 60.7967 38.1598 174.9400 100 I 4.2513 7.5782 123.0831 59.3486 38.4665 174.0473 101 I 4.3199 7.9959 125.9949 59.6248 39.1545 175.3935 102 K 4.3299 8.5648 131.9974 54.0059 32.3503 173.5474 103 F 4.9066 8.1901 123.0744 57.5955 39.0293 174.7164 104 T 4.6719 9.5649 114.1012 61.8141 71.0135 173.4428 105 S 4.7101 7.5425 115.3681 58.2009 66.8701 172.5873 106 G 5.1733 8.3194 102.7664 46.2547 0.0000 172.7423 107 T 5.7618 8.3071 117.3085 60.2396 73.1606 173.2602 108 R 4.5232 8.7051 126.1223 56.1644 31.3012 175.0761 109 L 4.6330 9.2041 131.6422 53.9345 42.9084 175.1476 110 Q 4.9390 9.0494 124.8733 54.2338 31.9320 175.0682 111 F 5.7399 8.7233 119.1794 58.5139 40.1882 175.8463 112 E 3.0942 8.5100 120.2375 56.4576 31.0314 177.5140 113 G 4.1746 8.5436 108.5413 45.2172 0.0000 172.4483 114 S 4.5717 7.8799 118.8037 58.7535 66.6367 174.8365 115 N 4.7782 8.3893 115.6084 54.4007 41.7458 174.8406 116 E 4.1368 8.0649 116.8260 55.5621 27.4471 178.3820 117 G 3.7284 8.2010 101.0174 45.4808 0.0000 172.2419 118 S 3.4916 9.3726 122.6784 58.4650 61.8553 173.9056 119 K 4.2244 8.2988 122.6023 58.3771 29.4772 175.7234 120 S 4.6998 7.5947 111.3258 57.9434 65.2703 174.6267 121 S 4.7926 7.5723 115.6251 56.2359 66.4552 174.5119 122 D 4.3842 8.7923 117.7263 54.4365 40.3443 177.0159 123 G 3.9013 9.3535 103.3763 45.8254 0.0000 173.3408 124 E 3.8923 8.1165 119.5154 56.9043 29.7203 177.8330 125 G 3.6307 8.3625 119.2370 45.9128 0.0000 172.3851 126 S 5.0341 9.2746 122.3851 59.2317 64.2299 177.0539 127 S 3.6018 7.6762 118.9671 59.7981 60.1825 172.1646 128 C 4.3175 7.6175 124.1430 58.3297 29.5389 173.2311 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 3 I 8.02 4.10 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.33 0.90 0.00 0.00 4 K 8.67 3.76 0.00 1.88 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.45 7.81 5 E 9.10 4.48 0.00 1.89 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 2.19 2.30 0.00 6 L 8.40 3.91 0.00 1.72 1.69 1.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.66 4.09 0.00 3.29 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.84 4.39 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 0.81 0.00 0.00 0.91 0.00 0.00 9 K 8.73 4.54 0.00 1.96 1.56 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.41 7.81 10 T 8.60 5.23 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 1.26 0.00 0.00 11 V 8.78 4.41 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 -0.40 0.00 0.00 0.85 0.00 0.00 12 K 8.86 4.85 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.62 7.81 13 R 8.77 4.08 0.00 1.70 1.90 0.00 3.27 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 14 G 10.43 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 15 E 8.44 4.35 0.00 2.09 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 2.34 2.32 0.00 16 N 8.57 5.30 0.00 2.62 2.75 0.00 0.00 6.33 7.68 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 17 V 8.77 4.52 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 0.75 0.00 0.00 0.85 0.00 0.00 18 T 8.38 4.69 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 1.16 0.00 0.00 19 M 8.31 4.58 0.00 1.71 1.35 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 20 E 8.40 5.02 0.00 1.89 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 2.51 2.20 0.00 21 C 8.11 5.65 0.00 3.23 3.62 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 22 S 8.06 5.14 0.00 3.87 3.72 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 0.00 0.00 0.00 0.00 23 M 10.04 3.62 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.76 0.00 24 S 8.57 3.46 0.00 3.92 4.28 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.68 3.70 0.00 1.92 1.86 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.39 7.81 26 V 9.00 4.01 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 0.92 0.00 0.00 0.84 0.00 0.00 27 T 8.20 3.68 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 1.17 0.00 0.00 28 N 8.94 4.71 0.00 2.53 2.81 0.00 0.00 7.40 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 29 K 8.27 3.68 0.00 1.35 0.74 0.00 1.18 0.00 0.00 0.70 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.01 1.13 7.81 30 N 8.35 4.91 0.00 2.86 2.91 0.00 0.00 6.76 7.28 0.00 0.00 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 N 8.31 5.05 0.00 2.82 2.84 0.00 0.00 6.66 6.32 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 32 L 7.66 4.64 0.00 1.70 1.19 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.80 5.50 1.57 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 0.00 0.00 34 W 9.41 5.49 0.00 3.38 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 35 Y 9.66 5.60 0.00 3.31 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 36 R 8.04 3.80 0.00 0.67 1.13 0.00 2.21 0.00 0.00 2.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 37 Q 8.68 4.62 0.00 1.87 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 38 S 8.41 4.28 0.00 3.68 3.53 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 39 F 7.66 4.01 0.00 3.07 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 40 G 9.12 4.08 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 41 K 7.68 4.73 0.00 1.76 1.67 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.50 7.81 42 V 8.27 3.79 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 0.77 0.00 0.00 0.99 0.00 0.00 43 P 0.00 4.83 0.00 2.24 2.24 0.00 3.71 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 2.12 2.27 0.00 44 Q 9.21 4.82 0.00 1.79 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 45 Y 8.79 3.27 0.00 2.60 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 46 F 8.38 4.90 0.00 2.94 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 47 V 6.77 4.25 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 0.00 0.00 0.27 0.00 0.00 -0.22 0.00 0.00 48 R 8.22 5.18 0.00 2.19 2.46 0.00 2.95 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 49 Y 8.57 4.84 0.00 2.64 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 50 Y 8.32 4.68 0.00 2.83 2.72 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 0.00 0.00 0.00 0.00 51 S 8.42 3.82 0.00 3.71 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 52 S 7.69 4.64 0.00 4.05 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 53 N 8.08 4.33 0.00 2.65 2.90 0.00 0.00 6.99 8.00 0.00 0.00 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 S 7.97 4.03 0.00 3.23 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 55 G 8.46 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 56 Y 6.38 5.40 0.00 3.02 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 57 K 8.52 4.48 0.00 1.63 1.30 0.00 0.95 0.00 0.00 1.08 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.21 1.29 7.81 58 F 9.33 4.78 0.00 2.93 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 59 A 8.74 4.22 1.13 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 0.00 0.00 60 E 9.11 3.83 0.00 2.08 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 2.40 2.33 0.00 61 G 6.68 3.50 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 0.00 62 F 8.21 5.07 0.00 3.00 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 63 K 6.86 4.17 0.00 1.60 1.52 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 64 D 6.59 4.48 0.00 1.58 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 65 S 7.91 4.43 0.00 3.87 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 66 R 7.66 3.85 0.00 1.30 1.72 0.00 2.98 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.41 0.00 67 F 7.09 5.93 0.00 2.44 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 68 S 8.41 5.14 0.00 3.97 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 69 M 7.90 4.84 0.00 1.56 0.97 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.93 0.00 70 T 8.96 4.44 4.28 0.00 0.00 0.00 0.00 0.00 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 71 V 8.54 4.75 2.39 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 1.31 0.00 0.00 1.37 0.00 0.00 72 N 8.53 4.92 0.00 2.83 2.82 0.00 0.00 7.03 9.28 0.00 0.00 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 D 8.90 4.52 0.00 2.72 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 74 Q 8.41 4.37 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 75 K 8.60 4.88 0.00 1.81 2.08 0.00 1.87 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.52 7.81 76 F 8.89 5.70 0.00 2.91 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 77 D 8.52 4.97 0.00 2.65 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 78 L 7.90 4.44 0.00 0.27 0.39 0.63 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.72 5.32 0.00 2.75 2.92 0.00 0.00 6.32 7.27 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 80 I 8.69 5.20 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.86 0.00 0.00 81 I 7.87 5.12 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.19 0.92 0.00 0.00 82 G 9.11 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 83 A 8.73 4.16 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 84 R 8.45 4.56 0.00 1.90 1.99 0.00 2.94 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 85 E 8.37 2.97 0.00 1.81 1.74 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 1.67 1.47 0.00 86 D 7.94 4.72 0.00 2.80 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 87 D 8.94 4.45 0.00 3.01 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 88 G 7.51 4.16 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 0.00 0.00 0.00 89 G 8.42 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 5.07 0.00 1.16 1.74 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 2.17 2.21 0.00 91 Y 8.82 4.75 0.00 2.81 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 92 F 8.90 5.42 0.00 2.98 2.23 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 93 C 8.89 4.81 0.00 1.23 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 94 G 8.71 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.14 4.81 0.00 1.96 1.72 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 0.00 2.13 2.14 0.00 96 V 8.47 3.96 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 0.71 0.00 0.00 0.86 0.00 0.00 97 E 8.83 4.51 0.00 1.93 1.65 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 2.15 2.20 0.00 98 G 8.59 4.05 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 0.00 99 I 8.31 4.20 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.51 0.89 0.00 0.00 100 I 7.58 4.25 1.80 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 1.14 0.72 0.83 0.00 0.00 101 I 8.00 4.32 1.54 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.10 0.55 0.00 0.00 102 K 8.56 4.33 0.00 1.70 1.56 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.31 7.81 103 F 8.19 4.91 0.00 2.88 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 0.00 104 T 9.56 4.67 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 1.23 0.00 0.00 105 S 7.54 4.71 0.00 3.95 4.04 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 0.00 106 G 8.32 5.17 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 0.00 0.00 0.00 107 T 8.31 5.76 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 1.34 0.00 0.00 108 R 8.71 4.52 0.00 1.94 1.86 0.00 3.28 0.00 0.00 3.40 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 109 L 9.20 4.63 0.00 1.70 1.62 0.76 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.05 4.94 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.24 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 111 F 8.72 5.74 0.00 3.27 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 0.00 112 E 8.51 3.09 0.00 2.01 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 0.00 2.32 2.42 0.00 113 G 8.54 4.17 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 0.00 0.00 0.00 114 S 7.88 4.57 0.00 3.93 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 0.00 115 N 8.39 4.78 0.00 2.68 2.83 0.00 0.00 7.17 7.66 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 0.00 116 E 8.06 4.14 0.00 2.15 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 2.26 2.32 0.00 117 G 8.20 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 0.00 0.00 0.00 118 S 9.37 3.49 0.00 4.12 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 0.00 119 K 8.30 4.22 0.00 1.76 2.25 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.44 7.81 120 S 7.59 4.70 0.00 3.84 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 0.00 121 S 7.57 4.79 0.00 3.82 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 0.00 122 D 8.79 4.38 0.00 2.74 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 0.00 123 G 9.35 3.90 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 0.00 0.00 0.00 124 E 8.12 3.89 0.00 2.04 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 2.32 2.41 0.00 125 G 8.36 3.63 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 0.00 0.00 0.00 126 S 9.27 5.03 0.00 3.97 3.79 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 0.00 127 S 7.68 3.60 0.00 3.98 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 0.00 128 C 7.62 4.32 0.00 3.04 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