NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2451 8.3349 115.4036 58.7778 63.6984 174.6449 2 H 4.5000 9.7296 116.5837 55.7483 27.5584 171.8177 3 G 3.8323 8.2126 121.2602 45.7450 0.0000 172.3943 4 S 4.3955 7.4715 116.5571 57.9829 60.6292 171.4299 5 H 4.8969 7.7896 121.6983 54.3743 30.6699 174.6377 6 E 4.3990 8.9362 123.9602 55.9800 30.2254 177.0110 7 T 4.4023 8.3450 112.7014 60.8510 71.5137 175.6388 8 D 4.3767 8.4937 120.4139 57.7081 40.7119 178.9031 9 E 4.0491 8.2284 118.4572 59.4539 29.0924 179.2324 10 E 3.9653 8.1405 118.2097 59.3463 29.4502 178.9221 11 F 4.4663 8.2423 122.0142 60.8114 39.3098 176.8876 12 D 4.4918 8.7873 118.3762 57.4516 40.7210 178.3424 13 A 4.0087 8.2718 121.4764 55.5204 18.4330 179.5242 14 R 3.7279 8.2933 117.2831 59.3710 29.9946 178.5948 15 W 4.0525 7.6739 118.4408 58.9473 29.1949 178.8956 16 V 3.8047 8.1977 118.5786 66.4487 30.5699 178.1570 17 T 3.8727 8.3442 115.8691 66.7734 68.4079 175.7937 18 Y 3.8647 7.7246 121.1409 60.8520 38.5577 178.2141 19 F 4.6955 8.2584 116.3990 59.6585 39.2920 176.8481 20 N 4.7839 8.0168 114.6225 52.7645 38.7674 174.9728 21 K 3.8080 7.2985 122.2155 55.9039 32.4819 175.2980 22 P 4.2900 0.0000 0.0000 65.4571 31.1497 176.4747 23 D 4.8446 7.7278 116.4613 52.7281 39.9303 175.9940 24 I 3.9077 7.3867 120.8572 61.8724 38.5685 175.6872 25 D 4.8784 8.4815 127.7868 51.6386 42.7140 177.3534 26 A 4.0468 8.4862 120.5597 55.1462 18.2505 179.2999 27 W 4.1599 8.4015 126.2429 61.0391 30.6924 177.9258 28 E 4.6116 9.3123 119.7665 58.3403 28.8480 179.1933 29 L 4.3379 7.9911 120.9120 58.2309 42.2019 179.1482 30 R 3.8476 8.4147 118.3848 59.1076 30.0969 178.6460 31 K 3.6133 8.1615 119.8871 59.4966 32.0433 178.5970 32 G 3.7269 8.3647 105.8409 48.2607 0.0000 175.4406 33 M 4.0725 8.2839 121.4064 58.2473 31.9023 178.5803 34 N 4.2534 8.2432 115.3954 56.3858 38.8316 177.1670 35 T 4.0184 7.6523 116.8964 66.0508 68.8323 176.6307 36 L 3.7480 7.4612 122.1323 58.2784 41.6683 179.1818 37 V 3.7276 7.5794 117.0586 65.0097 31.5134 177.2600 38 G 3.6880 7.6046 103.4542 44.6212 0.0000 173.2392 39 Y 4.6317 6.7782 118.8704 57.2094 39.3462 175.8763 40 D 4.6441 8.2459 122.4371 50.7954 39.6246 174.9502 41 L 4.3847 6.9924 121.8425 55.1650 42.4208 174.2677 42 V 4.2719 8.1915 119.3797 60.2268 32.6737 173.8378 43 P 4.4277 0.0000 0.0000 62.6025 31.9922 176.1547 44 E 4.2412 8.7336 120.7220 55.9449 30.4395 176.2864 45 P 4.2515 0.0000 0.0000 65.8339 31.2648 179.1434 46 K 4.2483 8.1547 116.8084 59.8663 32.2496 179.1756 47 I 3.9172 7.9495 121.2568 64.3545 37.1283 178.1508 48 I 3.5839 7.7426 120.1641 64.2890 36.9225 177.5209 49 D 4.2651 8.6316 118.8997 57.3944 40.9719 178.0607 50 A 4.0209 7.8308 120.5009 55.4020 18.4400 179.4000 51 A 3.4184 7.8632 118.9853 55.1097 18.1358 179.7763 52 L 3.8696 8.0767 117.7393 58.1091 41.6860 180.0614 53 R 3.9857 8.1241 117.7444 59.0139 30.0490 178.9017 54 A 4.0928 8.3579 120.8982 55.1780 18.2203 179.4929 55 C 4.1117 8.0173 115.6116 62.8352 28.1683 176.1895 56 R 3.9047 7.7287 120.0383 59.6894 29.5287 178.7756 57 R 4.1216 7.9332 116.3133 58.8073 30.0974 178.0322 58 L 4.4016 7.6336 115.8231 53.3695 42.7284 176.0920 59 N 4.1553 8.3682 116.1144 54.8841 36.4279 175.5982 60 D 4.7850 8.2596 116.8322 52.1243 42.3471 175.0690 61 F 4.3024 8.8474 127.7794 61.0840 40.1620 176.9025 62 A 3.7775 8.4411 122.0292 55.7039 17.8639 179.6601 63 S 3.9635 8.5022 112.9245 61.5279 62.7314 176.8962 64 A 3.8471 7.8918 123.7304 54.9379 18.0747 179.8846 65 V 3.3137 7.1149 116.2187 66.1394 31.6960 178.1197 66 R 4.6714 7.9783 119.9761 59.0163 29.8631 178.4830 67 I 3.6617 8.0095 120.0964 64.2648 36.8767 178.3905 68 L 4.1127 7.6694 119.6274 57.6297 41.4203 179.2465 69 E 3.8737 8.0750 118.7400 59.2759 29.3344 179.4440 70 V 3.5019 7.8502 118.2325 66.0970 31.3625 178.1177 71 V 3.5956 7.3582 116.0457 66.0222 31.3862 177.5973 72 K 3.8782 7.7088 119.3954 59.2468 32.0220 178.3367 73 D 4.2518 7.9247 118.3923 57.3448 40.9836 178.4207 74 K 4.0838 8.0754 117.1957 58.8156 32.3039 178.8087 75 A 4.1889 7.9851 121.2856 51.4443 18.4101 179.2797 76 G 3.7202 8.1493 104.7049 46.4104 0.0000 175.2131 77 P 4.3556 0.0000 0.0000 64.5199 31.9089 176.6636 78 H 4.7440 7.9089 118.8474 54.0140 26.8270 175.8179 79 K 4.1209 8.1246 121.1177 58.8827 32.4978 178.6764 80 E 4.3367 8.0948 118.5494 58.0647 30.4855 178.6302 81 I 3.8140 7.9373 120.4711 64.5626 37.1195 177.2494 82 Y 4.2734 8.1697 119.7543 60.5415 38.6116 175.9876 83 P 4.0904 0.0000 0.0000 65.9935 31.4450 177.9096 84 Y 3.9834 7.7650 116.8662 60.6420 38.8635 178.2779 85 V 3.3518 7.8794 119.1724 65.9712 31.7099 178.0279 86 I 3.4774 7.7397 119.9993 64.1100 36.5913 178.0590 87 Q 3.8225 7.6157 119.5721 59.3970 29.0112 178.2718 88 E 3.9734 7.5152 117.1572 58.1749 29.7918 178.1908 89 L 4.3408 7.4320 117.6280 54.7833 42.0228 178.3840 90 R 3.8478 7.5060 119.0807 59.0325 29.9922 176.4588 91 P 4.2246 0.0000 0.0000 66.2305 31.3728 178.8031 92 T 3.8910 7.7920 113.6450 66.5311 68.4126 176.6586 93 L 4.0209 8.3490 121.3890 57.8386 41.4895 179.4824 94 N 4.3069 8.4561 116.6099 56.3212 38.3457 176.9965 95 E 3.9365 8.2466 119.6244 58.9236 29.8356 178.0086 96 L 4.5079 7.9559 115.5831 53.3934 42.5075 176.4387 97 G 3.8909 7.6411 106.8150 46.5151 0.0000 174.1027 98 I 4.5085 7.9330 120.5670 60.2110 38.0310 176.3862 99 S 4.8514 8.9170 121.8914 57.6477 64.3262 174.8388 100 T 4.2655 8.2506 114.3993 60.8631 70.7915 174.0990 101 P 4.2515 0.0000 0.0000 66.0365 31.3648 178.8827 102 E 4.3338 8.0959 118.2385 58.8697 29.2412 179.0245 103 E 4.0411 7.9717 117.9132 59.2723 29.6951 178.7539 104 L 4.3431 8.0654 116.3791 54.8403 41.6911 177.7476 105 G 3.9125 7.8184 107.2343 46.3468 0.0000 175.1664 106 L 4.3198 8.2796 118.6711 55.4522 41.4474 177.2639 107 D 4.6330 7.8830 118.5598 52.8824 39.7812 176.4829 108 K 4.2815 7.3193 118.8701 56.7907 33.7545 177.4924 109 V 4.0127 7.9021 111.1186 61.7266 32.5704 175.7043 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 S 8.33 4.25 0.00 3.92 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 2 H 9.73 4.50 0.00 3.26 3.30 0.00 5.73 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 3 G 8.21 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 4 S 7.47 4.40 0.00 3.95 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 5 H 7.79 4.90 0.00 3.16 3.26 0.00 5.71 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 6 E 8.94 4.40 0.00 2.17 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 2.45 2.34 0.00 7 T 8.35 4.40 4.26 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 1.23 0.00 0.00 8 D 8.49 4.38 0.00 2.72 2.78 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 0.00 0.00 0.00 9 E 8.23 4.05 0.00 2.09 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 2.43 2.51 0.00 10 E 8.14 3.97 0.00 2.20 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 2.35 2.35 0.00 11 F 8.24 4.47 0.00 3.09 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 12 D 8.79 4.49 0.00 3.00 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 13 A 8.27 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 14 R 8.29 3.73 0.00 1.72 1.83 0.00 2.76 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.30 0.00 15 W 7.67 4.05 0.00 3.40 3.26 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 16 V 8.20 3.80 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 1.12 0.00 0.00 1.13 0.00 0.00 17 T 8.34 3.87 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 18 Y 7.72 3.86 0.00 2.69 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 19 F 8.26 4.70 0.00 3.29 3.14 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 20 N 8.02 4.78 0.00 2.88 2.90 0.00 0.00 6.90 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 21 K 7.30 3.81 0.00 1.68 1.65 0.00 1.48 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.32 7.81 22 P 0.00 4.29 0.00 2.21 2.18 0.00 3.78 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 1.98 1.96 0.00 23 D 7.73 4.84 0.00 2.79 2.78 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 0.00 0.00 0.00 24 I 7.39 3.91 1.99 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 1.40 0.84 1.00 0.00 0.00 25 D 8.48 4.88 0.00 3.02 2.84 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 0.00 0.00 0.00 26 A 8.49 4.05 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 27 W 8.40 4.16 0.00 3.43 3.39 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 28 E 9.31 4.61 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 2.80 2.76 0.00 29 L 7.99 4.34 0.00 1.99 2.00 0.96 1.11 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 30 R 8.41 3.85 0.00 1.88 1.85 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 31 K 8.16 3.61 0.00 0.79 1.56 0.00 1.29 0.00 0.00 1.19 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.42 7.81 32 G 8.36 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 33 M 8.28 4.07 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.73 0.00 34 N 8.24 4.25 0.00 2.63 2.82 0.00 0.00 7.15 7.19 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 35 T 7.65 4.02 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 1.29 0.00 0.00 36 L 7.46 3.75 0.00 1.44 1.57 0.07 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.58 3.73 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 0.81 0.00 0.00 0.89 0.00 0.00 38 G 7.60 3.69 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 0.00 0.00 0.00 39 Y 6.78 4.63 0.00 3.10 2.80 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 40 D 8.25 4.64 0.00 2.63 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 41 L 6.99 4.38 0.00 1.74 1.55 1.00 0.35 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 42 V 8.19 4.27 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 0.96 0.00 0.00 0.97 0.00 0.00 43 P 0.00 4.43 0.00 2.09 2.00 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 44 E 8.73 4.24 0.00 2.10 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 2.49 2.55 0.00 45 P 0.00 4.25 0.00 2.14 2.03 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 46 K 8.15 4.25 0.00 2.03 2.12 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.62 7.81 47 I 7.95 3.92 2.08 0.00 0.00 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 1.71 0.73 1.12 0.00 0.00 48 I 7.74 3.58 1.96 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 1.74 0.99 0.86 0.00 0.00 49 D 8.63 4.27 0.00 2.82 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 50 A 7.83 4.02 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.42 0.41 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 52 L 8.08 3.87 0.00 1.88 1.70 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.12 3.99 0.00 2.01 1.99 0.00 3.33 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 54 A 8.36 4.09 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.02 4.11 0.00 3.29 3.14 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 56 R 7.73 3.90 0.00 1.91 2.18 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 57 R 7.93 4.12 0.00 2.01 2.01 0.00 3.23 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 58 L 7.63 4.40 0.00 1.80 1.73 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.37 4.16 0.00 2.82 2.88 0.00 0.00 6.61 7.99 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 60 D 8.26 4.79 0.00 2.60 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 61 F 8.85 4.30 0.00 3.13 3.10 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 62 A 8.44 3.78 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 63 S 8.50 3.96 0.00 3.85 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 64 A 7.89 3.85 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 65 V 7.11 3.31 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 0.93 0.00 0.00 0.44 0.00 0.00 66 R 7.98 4.67 0.00 1.84 1.84 0.00 3.15 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 67 I 8.01 3.66 1.97 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 1.43 1.00 0.80 0.00 0.00 68 L 7.67 4.11 0.00 1.86 1.84 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.08 3.87 0.00 2.22 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 2.27 2.27 0.00 70 V 7.85 3.50 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 1.03 0.00 0.00 0.92 0.00 0.00 71 V 7.36 3.60 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 1.00 0.00 0.00 1.03 0.00 0.00 72 K 7.71 3.88 0.00 0.79 1.51 0.00 0.85 0.00 0.00 1.20 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.10 0.74 7.81 73 D 7.92 4.25 0.00 2.87 2.74 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 74 K 8.08 4.08 0.00 1.77 1.87 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.59 7.81 75 A 7.99 4.19 1.46 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 76 G 8.15 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 0.00 0.00 0.00 77 P 0.00 4.36 0.00 2.06 2.10 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 78 H 7.91 4.74 0.00 3.43 3.30 0.00 5.82 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 79 K 8.12 4.12 0.00 1.89 1.97 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.44 7.81 80 E 8.09 4.34 0.00 2.11 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 2.38 2.41 0.00 81 I 7.94 3.81 2.04 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 1.42 1.01 1.01 0.00 0.00 82 Y 8.17 4.27 0.00 3.01 3.04 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 83 P 0.00 4.09 0.00 2.25 2.13 0.00 3.87 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 84 Y 7.77 3.98 0.00 3.14 3.27 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 85 V 7.88 3.35 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 0.94 0.00 0.00 1.14 0.00 0.00 86 I 7.74 3.48 1.66 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.41 0.75 0.00 0.00 87 Q 7.62 3.82 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 88 E 7.52 3.97 0.00 1.73 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 1.68 1.89 0.00 89 L 7.43 4.34 0.00 1.74 1.62 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.51 3.85 0.00 1.94 1.97 0.00 3.28 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 91 P 0.00 4.22 0.00 2.13 2.10 0.00 3.62 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 2.08 2.17 0.00 92 T 7.79 3.89 4.36 0.00 0.00 0.00 0.00 0.00 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 93 L 8.35 4.02 0.00 1.76 1.72 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.46 4.31 0.00 2.97 2.85 0.00 0.00 6.64 8.30 0.00 0.00 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 8.25 3.94 0.00 2.01 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 0.00 2.33 2.36 0.00 96 L 7.96 4.51 0.00 1.70 1.72 0.94 0.73 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 97 G 7.64 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 98 I 7.93 4.51 1.92 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 1.42 0.70 0.91 0.00 0.00 99 S 8.92 4.85 0.00 4.10 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 0.00 100 T 8.25 4.27 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 1.20 0.00 0.00 101 P 0.00 4.25 0.00 2.20 2.14 0.00 3.73 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 2.15 2.29 0.00 102 E 8.10 4.33 0.00 2.12 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 2.50 2.52 0.00 103 E 7.97 4.04 0.00 2.24 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 2.37 2.37 0.00 104 L 8.07 4.34 0.00 1.67 1.78 1.09 0.93 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 0.00 105 G 7.82 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 0.00 0.00 0.00 106 L 8.28 4.32 0.00 1.74 1.71 0.92 0.86 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 0.00 107 D 7.88 4.63 0.00 2.79 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 0.00 108 K 7.32 4.28 0.00 1.93 1.99 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.40 7.81 109 V 7.90 4.01 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 0.71 0.00 0.00 0.92 0.00 0.00