NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6939 8.4293 116.2226 55.1858 30.3908 173.3070 2 C 4.1231 8.0443 114.1170 56.8907 30.1818 172.2316 3 D 4.5981 8.4386 118.6610 54.9729 40.2233 175.3732 4 L 4.0793 8.0927 120.3147 57.2561 42.2082 175.7322 5 P 4.6017 0.0000 0.0000 62.2507 32.3904 175.2257 6 C 4.3393 8.4993 112.9690 57.7493 30.8115 175.0757 7 G 3.9065 8.2910 107.3965 45.3127 0.0000 172.7780 8 V 4.2398 7.1149 119.0028 60.9798 32.7886 174.3799 9 Y 4.6743 8.0166 123.4791 56.7062 42.2157 174.3728 10 D 3.7612 7.9469 118.4654 51.6936 43.9354 174.6570 11 P 4.1316 0.0000 0.0000 64.5260 31.1991 178.0802 12 A 3.9870 8.6017 120.8428 55.1245 17.9824 179.6376 13 Q 3.8163 7.9092 116.1486 59.0366 28.7136 178.8982 14 A 4.0576 7.7912 121.2329 55.0272 18.4726 179.3769 15 R 3.8290 8.1432 117.3496 59.7882 30.2911 178.6949 16 I 3.8907 8.1119 119.8912 64.6171 37.0872 178.3576 17 E 4.0096 8.0498 119.0770 59.3215 29.3095 179.2594 18 A 4.0789 8.3035 120.9645 55.0904 18.3129 179.5737 19 E 3.9784 8.5609 117.7767 59.6197 29.4150 179.6999 20 S 4.1393 7.9914 115.1518 61.3308 62.8452 176.7197 21 V 3.5615 7.7304 121.0064 66.0797 31.2729 178.0905 22 K 4.1387 8.1322 119.0194 59.4240 32.1597 178.5281 23 A 4.1900 8.4194 121.5343 55.3061 18.2447 179.7488 24 I 3.7621 8.0863 118.5019 64.6244 37.0540 178.6472 25 Q 4.0499 8.0721 118.9683 59.0344 28.3679 178.7663 26 E 4.0274 8.4469 119.7206 59.3839 28.9774 179.5419 27 K 4.1523 8.0852 118.0181 59.3297 31.9180 179.0870 28 M 4.5561 8.0089 117.8375 57.6155 31.9752 178.0311 29 A 4.1714 7.6830 120.3766 54.3188 18.6848 178.1532 30 A 4.2258 7.5861 117.9302 53.1149 19.4603 176.8216 31 N 4.8042 7.9010 113.2987 52.2659 41.0708 173.2016 32 D 4.7884 8.7636 124.6740 54.2710 41.3788 176.6743 33 D 4.4327 8.7960 121.0147 54.2155 42.3979 176.2736 34 L 3.9314 8.6940 128.5714 59.0465 42.2138 179.0484 35 H 4.1515 8.3208 115.2716 58.5602 28.6616 177.5655 36 F 4.2163 8.5658 122.7920 61.3602 39.2890 177.2473 37 Q 3.8278 8.3936 117.8817 58.8282 28.3876 178.9808 38 I 3.6340 7.8665 120.8297 64.4903 37.1498 178.7227 39 R 3.8212 7.9411 118.6083 59.1059 29.7712 178.9939 40 A 3.7339 7.9675 120.8677 55.2874 18.2927 179.8595 41 T 3.7117 7.7647 114.1500 66.6446 68.4039 176.9836 42 V 3.5514 7.8278 120.2170 66.2943 31.5552 178.2224 43 I 4.0269 7.8354 120.8638 63.5496 36.8537 178.3243 44 K 3.9125 8.3250 120.9746 59.3441 32.0861 178.4122 45 E 3.8968 8.2330 119.6103 59.4133 29.0430 178.9277 46 Q 3.9915 7.8502 117.9149 59.1280 28.7534 178.9973 47 R 4.0013 8.2173 118.9284 59.0679 30.0279 178.9562 48 A 3.9938 8.2741 120.8947 54.9576 18.2836 179.3216 49 E 3.8566 8.0743 117.4595 59.4519 29.7052 179.0551 50 L 3.9263 7.8999 118.6316 57.6868 41.7598 179.3496 51 A 4.0675 8.2562 120.8377 55.1809 18.2421 179.8724 52 K 3.9571 8.3141 117.1556 59.6804 32.0693 179.0666 53 H 4.1479 8.4126 118.6178 59.7243 29.9271 177.0354 54 H 4.2184 8.2803 118.0034 58.8987 28.4751 177.8810 55 L 4.1068 7.9855 120.5751 57.8678 41.4588 179.1369 56 D 4.5407 8.5059 119.2751 57.4404 40.7581 179.1326 57 V 3.7293 8.0678 118.7688 65.9452 31.4762 178.0364 58 L 3.9270 7.9771 118.5517 57.5570 41.2587 179.3822 59 W 4.6222 8.4749 127.3500 60.6789 30.8263 177.7898 60 S 4.0249 8.7905 113.2935 60.4541 62.8830 175.2015 61 D 4.6890 8.3925 120.9223 56.0307 41.7277 177.4569 62 Y 3.3781 7.4411 118.1450 60.1473 39.0001 175.7804 63 F 4.0069 7.8539 118.2059 57.3065 39.5280 175.1306 64 K 4.5572 8.1214 123.5972 53.5120 35.2630 175.1499 65 P 4.4588 0.0000 0.0000 65.9315 31.0520 177.1338 66 P 4.2620 0.0000 0.0000 65.8171 31.1344 178.4296 67 H 4.3411 7.9067 115.1346 58.9345 28.3965 177.8969 68 F 4.2969 7.6690 117.8328 60.1162 38.8113 177.3196 69 E 4.1769 7.9889 117.8610 59.6245 29.4606 179.1493 70 S 4.2670 8.0816 113.7733 60.0045 64.0542 174.1487 71 Y 4.6037 7.9879 119.6050 54.6471 37.7976 174.0656 72 P 4.4079 0.0000 0.0000 64.6485 31.9964 177.0875 73 E 4.4741 8.1125 114.4784 56.1892 30.6574 177.4953 74 L 3.8964 8.3266 122.9260 58.8251 42.0892 178.1696 75 H 4.4041 8.4311 115.5010 59.5744 28.6335 177.6508 76 T 3.8133 7.9494 116.6656 66.4010 68.3218 176.2277 77 L 3.9263 8.1499 122.4395 58.2816 42.1706 179.2939 78 V 3.5555 7.9822 118.3164 65.9271 31.4489 177.4574 79 N 4.0594 8.0876 116.8514 56.6410 38.6530 176.7738 80 E 3.7339 8.2950 120.1946 58.8556 29.3564 179.2048 81 A 3.9625 7.5731 120.8761 55.3646 18.5453 180.1902 82 V 3.5912 7.7515 110.9245 64.4390 31.5701 179.0616 83 K 3.9732 8.0835 118.1721 59.2447 31.8241 179.2843 84 A 4.1114 8.2275 121.4697 55.0293 18.2876 179.7273 85 L 4.0118 7.8930 117.7512 57.9895 41.5587 179.7582 86 S 4.1339 8.1875 114.9980 61.5521 62.5091 176.6402 87 A 3.9894 7.8947 122.4331 55.0146 18.4994 179.2803 88 A 4.2318 7.9388 120.7460 54.4440 18.1672 180.0030 89 K 3.9511 7.8663 116.4416 59.3639 32.1842 178.4104 90 A 4.4615 7.3704 118.0667 51.3367 18.7786 176.6503 91 S 4.6470 7.2596 112.0497 57.5611 65.6608 173.9102 92 T 4.3623 8.3116 112.8596 61.2949 69.7143 173.8456 93 D 4.5224 8.3155 124.4195 53.2037 41.3780 174.9924 94 P 4.6750 0.0000 0.0000 64.7518 31.2292 178.2850 95 A 3.9939 8.8222 120.5979 55.1626 18.0401 179.7233 96 T 4.0018 8.2852 108.9056 64.8889 68.9613 177.3412 97 G 3.5807 8.0401 108.1492 47.3678 0.0000 175.4236 98 Q 3.9545 8.3333 122.2578 58.8529 29.1913 178.0640 99 K 3.7357 8.2271 120.5470 59.4124 32.2052 178.6449 100 A 4.1824 7.9047 120.6982 55.2536 18.3417 179.6278 101 L 4.0093 7.9753 117.5391 57.9348 41.7417 179.5421 102 D 4.3227 8.3038 119.1251 57.6156 40.7741 178.4205 103 Y 4.3461 7.7436 116.9599 61.2039 37.8503 178.6949 104 I 3.8282 8.1748 120.6369 64.2770 37.1737 178.3313 105 A 4.1670 8.2620 121.7592 55.2543 18.2403 179.7503 106 Q 4.0472 8.0309 116.2137 59.1837 28.7279 179.0057 107 I 3.8332 7.9501 120.9851 64.2579 37.1467 177.9358 108 D 4.4073 8.7495 119.4717 57.1234 41.1967 178.2044 109 K 4.1023 8.2499 120.1436 59.7532 32.2770 178.8469 110 I 3.4888 7.6373 119.5527 64.0707 36.6969 177.9233 111 F 4.0166 8.3974 120.8741 61.4656 39.3480 177.2126 112 W 4.1917 8.2909 117.9838 59.4816 28.8343 178.5011 113 E 4.1362 8.1664 118.9289 59.4357 28.7131 179.0686 114 T 4.1205 7.7187 108.3633 63.7850 69.0480 176.2037 115 K 4.1034 7.3182 120.1055 57.8475 32.2803 178.8360 116 K 4.1771 7.6844 118.5092 59.0033 32.3812 176.6501 117 A 4.1920 8.0936 124.5229 52.6497 18.2853 176.9871 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 H 8.43 4.69 0.00 3.25 3.34 0.00 5.48 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.04 4.12 0.00 3.17 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 3 D 8.44 4.60 0.00 2.88 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 4 L 8.09 4.08 0.00 1.62 1.77 0.93 0.98 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 5 P 0.00 4.60 0.00 2.29 2.10 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 6 C 8.50 4.34 0.00 3.02 3.03 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 7 G 8.29 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 8 V 7.11 4.24 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 0.73 0.00 0.00 0.86 0.00 0.00 9 Y 8.02 4.67 0.00 2.76 2.40 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 10 D 7.95 3.76 0.00 2.59 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 0.00 0.00 0.00 0.00 11 P 0.00 4.13 0.00 2.26 1.90 0.00 3.06 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 0.00 12 A 8.60 3.99 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 13 Q 7.91 3.82 0.00 1.88 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 14 A 7.79 4.06 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 15 R 8.14 3.83 0.00 1.90 2.09 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 16 I 8.11 3.89 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 1.53 1.12 0.92 0.00 0.00 17 E 8.05 4.01 0.00 2.15 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 0.00 2.57 2.57 0.00 18 A 8.30 4.08 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 19 E 8.56 3.98 0.00 2.18 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 2.34 2.63 0.00 20 S 7.99 4.14 0.00 4.11 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 21 V 7.73 3.56 2.30 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 1.00 0.00 0.00 0.98 0.00 0.00 22 K 8.13 4.14 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.58 7.81 23 A 8.42 4.19 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 24 I 8.09 3.76 2.04 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 1.54 0.75 0.91 0.00 0.00 25 Q 8.07 4.05 0.00 2.28 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 26 E 8.45 4.03 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 2.34 2.63 0.00 27 K 8.09 4.15 0.00 2.21 2.11 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.75 7.81 28 M 8.01 4.56 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.44 0.00 29 A 7.68 4.17 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 30 A 7.59 4.23 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 31 N 7.90 4.80 0.00 2.35 2.27 0.00 0.00 6.99 8.47 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 32 D 8.76 4.79 0.00 2.73 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 33 D 8.80 4.43 0.00 2.88 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 34 L 8.69 3.93 0.00 1.79 1.66 0.88 1.01 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 35 H 8.32 4.15 0.00 3.46 3.40 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.57 4.22 0.00 3.20 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 37 Q 8.39 3.83 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 38 I 7.87 3.63 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.87 0.00 0.00 39 R 7.94 3.82 0.00 1.88 1.92 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 40 A 7.97 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.76 3.71 4.32 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 1.17 0.00 0.00 42 V 7.83 3.55 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 1.01 0.00 0.00 0.94 0.00 0.00 43 I 7.84 4.03 1.89 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 1.37 1.08 0.90 0.00 0.00 44 K 8.32 3.91 0.00 1.82 1.97 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.23 3.90 0.00 2.29 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 0.00 2.29 2.38 0.00 46 Q 7.85 3.99 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 47 R 8.22 4.00 0.00 1.83 2.11 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 48 A 8.27 3.99 1.36 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 0.00 0.00 0.00 49 E 8.07 3.86 0.00 2.20 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 0.00 2.29 2.38 0.00 50 L 7.90 3.93 0.00 1.95 1.70 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.26 4.07 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 52 K 8.31 3.96 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.65 7.81 53 H 8.41 4.15 0.00 3.21 3.42 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.28 4.22 0.00 3.37 3.30 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 55 L 7.99 4.11 0.00 1.91 1.76 0.95 1.00 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 56 D 8.51 4.54 0.00 2.91 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 57 V 8.07 3.73 2.30 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 1.15 0.00 0.00 0.91 0.00 0.00 58 L 7.98 3.93 0.00 2.10 1.72 0.79 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.47 4.62 0.00 3.51 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 60 S 8.79 4.02 0.00 4.06 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 0.00 61 D 8.39 4.69 0.00 2.96 2.99 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 0.00 0.00 0.00 62 Y 7.44 3.38 0.00 1.43 2.41 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 63 F 7.85 4.01 0.00 2.93 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 0.00 0.00 0.00 64 K 8.12 4.56 0.00 1.43 1.55 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.14 7.81 65 P 0.00 4.46 0.00 2.15 2.16 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 66 P 0.00 4.26 0.00 1.96 2.03 0.00 3.34 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 67 H 7.91 4.34 0.00 2.91 3.08 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.67 4.30 0.00 3.16 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 69 E 7.99 4.18 0.00 2.18 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 2.59 2.50 0.00 70 S 8.08 4.27 0.00 3.80 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 71 Y 7.99 4.60 0.00 3.03 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 72 P 0.00 4.41 0.00 2.07 2.17 0.00 3.68 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 2.03 2.26 0.00 73 E 8.11 4.47 0.00 2.16 2.24 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 2.36 2.29 0.00 74 L 8.33 3.90 0.00 1.84 1.89 0.53 -0.12 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 75 H 8.43 4.40 0.00 3.26 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.95 3.81 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 1.22 0.00 0.00 77 L 8.15 3.93 0.00 1.84 1.89 1.05 1.25 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 V 7.98 3.56 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 0.92 0.00 0.00 1.13 0.00 0.00 79 N 8.09 4.06 0.00 2.70 2.75 0.00 0.00 7.23 7.24 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 80 E 8.29 3.73 0.00 1.27 1.12 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 2.12 2.38 0.00 81 A 7.57 3.96 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 82 V 7.75 3.59 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 0.90 0.00 0.00 0.88 0.00 0.00 83 K 8.08 3.97 0.00 1.94 1.81 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 84 A 8.23 4.11 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 4.01 0.00 1.92 1.73 0.94 0.92 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 86 S 8.19 4.13 0.00 4.03 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 87 A 7.89 3.99 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 88 A 7.94 4.23 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 89 K 7.87 3.95 0.00 1.96 2.03 0.00 1.69 0.00 0.00 2.00 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.63 7.81 90 A 7.37 4.46 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 91 S 7.26 4.65 0.00 3.81 3.75 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 92 T 8.31 4.36 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 1.20 0.00 0.00 93 D 8.32 4.52 0.00 2.69 2.60 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 94 P 0.00 4.67 0.00 2.20 2.11 0.00 3.94 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 95 A 8.82 3.99 1.36 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 0.00 0.00 0.00 96 T 8.29 4.00 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 1.22 0.00 0.00 97 G 8.04 3.58 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 0.00 98 Q 8.33 3.95 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 99 K 8.23 3.74 0.00 1.94 1.95 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.27 7.81 100 A 7.90 4.18 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 0.00 101 L 7.98 4.01 0.00 1.89 1.74 0.93 1.13 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 0.00 102 D 8.30 4.32 0.00 2.58 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 0.00 103 Y 7.74 4.35 0.00 3.23 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 0.00 104 I 8.17 3.83 2.07 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 1.52 0.76 0.95 0.00 0.00 105 A 8.26 4.17 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 0.00 106 Q 8.03 4.05 0.00 2.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 107 I 7.95 3.83 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 1.09 0.00 0.00 108 D 8.75 4.41 0.00 2.82 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 0.00 109 K 8.25 4.10 0.00 1.98 2.04 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.58 7.81 110 I 7.64 3.49 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.58 -0.09 0.00 0.00 111 F 8.40 4.02 0.00 2.93 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 0.00 112 W 8.29 4.19 0.00 3.57 3.29 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 0.00 113 E 8.17 4.14 0.00 2.27 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 0.00 2.45 2.72 0.00 114 T 7.72 4.12 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 1.25 0.00 0.00 115 K 7.32 4.10 0.00 1.93 1.93 0.00 1.47 0.00 0.00 0.86 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.57 0.55 7.81 116 K 7.68 4.18 0.00 2.07 1.91 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.69 7.81 117 A 8.09 4.19 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