NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4519 8.3349 115.4129 58.2684 64.3069 171.9119 2 V 4.3231 7.7361 112.8358 58.3013 35.4023 173.7455 3 R 4.3130 9.0865 123.0340 56.2995 31.5643 175.2072 4 K 5.0337 8.8113 124.0268 54.7203 36.3713 174.8668 5 F 5.3869 9.3654 120.0017 56.0290 43.4769 174.0493 6 T 5.0659 8.7399 110.4870 59.5631 71.5547 175.1453 7 E 3.7957 8.8085 119.4206 58.7854 29.7946 177.6850 8 K 4.4304 8.0797 117.8792 56.6493 32.0836 176.0425 9 H 4.4822 8.5632 115.4855 57.3505 26.4096 174.4756 10 E 5.2318 8.0052 117.7020 54.7681 32.3641 175.1115 11 W 5.4228 8.5023 117.7868 54.8134 32.2170 174.5348 12 V 5.2179 8.9583 119.9967 60.4433 34.5456 174.0829 13 T 5.1250 9.2378 113.5514 60.1667 71.7486 173.0142 14 T 5.4645 8.3653 112.5400 60.2224 72.2850 173.1117 15 E 4.6080 9.2780 120.6878 56.5365 32.6912 175.0265 16 N 4.2369 9.8888 120.4959 54.4113 36.6257 174.9900 17 G 3.1639 8.2928 102.2503 45.4167 0.0000 173.1318 18 V 4.7896 7.9756 119.7156 60.6891 34.4378 174.4981 19 G 4.5374 9.5933 115.3070 44.9642 0.0000 172.2099 20 T 5.0152 8.9090 121.0862 61.6131 71.0177 173.7407 21 V 4.2338 8.6839 126.1600 61.2080 34.8664 174.8560 22 G 3.4860 6.4649 112.5865 45.2456 0.0000 171.1183 23 I 5.1385 8.1549 112.6812 58.9672 40.3605 175.7046 24 S 4.6920 9.1011 119.2165 57.8523 64.6057 174.7171 25 N 4.3107 9.3456 118.0867 56.7782 38.5543 176.3705 26 F 4.0680 8.6817 121.3941 61.3690 39.4914 176.8373 27 A 4.1692 8.4100 120.3118 55.2523 17.9875 179.6509 28 Q 3.9806 8.3658 116.3084 59.3626 28.4760 178.4638 29 E 3.9586 8.2177 119.6682 59.2176 29.5798 178.8962 30 A 3.9799 7.6109 119.5271 55.0276 18.4334 179.4067 31 L 4.0721 7.7976 117.0064 57.1293 42.1484 178.7902 32 G 3.8308 8.0855 106.7802 44.3754 0.0000 171.9976 33 D 4.4998 8.5406 118.8766 54.5064 41.0477 176.3514 34 V 4.0056 8.9457 125.4713 62.7907 31.9513 175.9192 35 V 4.2921 8.5917 120.3884 62.2578 33.0277 175.5541 36 Y 4.6370 7.5289 119.4285 56.6360 42.1729 172.6037 37 C 4.8852 7.6164 123.2118 57.9154 31.1148 173.2622 38 S 4.5489 9.1119 120.3707 57.0006 63.0104 172.7703 39 L 5.3224 8.2633 126.7991 52.0463 44.8400 174.8099 40 P 4.6395 0.0000 0.0000 62.1072 32.9009 175.5460 41 E 4.1110 8.6046 120.9411 55.4569 30.3169 176.2007 42 V 3.7383 8.1816 124.6376 64.8248 31.8718 176.3640 43 G 4.0134 9.0245 115.7864 44.8340 0.0000 173.7414 44 T 4.0455 7.7101 117.8586 63.5655 69.4297 173.8429 45 K 4.7444 8.6395 125.9440 56.0859 33.3013 176.3406 46 L 5.1059 8.9502 123.9114 53.1111 45.6772 175.5428 47 N 5.1066 9.2637 120.0985 51.3598 40.8779 174.7947 48 K 4.1109 8.3343 122.9479 58.6449 32.5943 177.2342 49 Q 4.1506 9.1057 124.3464 55.4482 27.7059 173.3531 50 E 4.3652 8.2683 120.2853 55.5946 30.9258 175.8138 51 E 4.4325 9.0436 126.1080 56.9850 29.6799 176.6569 52 F 4.8545 9.2229 117.5824 55.8100 39.7969 175.4098 53 G 3.7432 6.7792 105.1552 46.7060 0.0000 170.7907 54 A 4.8424 7.5612 118.8949 50.8941 23.2175 175.9061 55 L 5.1050 8.7886 119.9633 52.9724 45.0397 175.4765 56 E 5.2541 9.0838 122.0119 54.7017 32.6588 175.3061 57 S 4.9900 8.8489 117.7505 56.3601 66.3141 174.1369 58 V 3.6912 8.5925 118.8528 65.9848 31.3689 177.0271 59 K 4.0177 8.1277 119.3133 59.0590 32.3940 175.9571 60 A 4.3901 7.7538 118.3037 51.3131 22.4088 174.3950 61 A 5.0179 8.3176 121.2405 50.9358 20.8716 176.9317 62 S 4.5870 9.0215 115.3479 56.1829 65.1465 173.0190 63 E 4.2639 8.9221 128.6491 56.1082 30.4802 175.4647 64 L 4.5169 8.1253 126.2945 53.0885 43.8480 174.9472 65 Y 5.1665 8.6672 121.1529 55.8700 40.8038 175.6591 66 S 4.6028 9.3949 119.9187 57.8575 63.1110 173.2959 67 P 4.4263 0.0000 0.0000 64.5324 31.7551 175.9543 68 L 4.9147 7.3002 117.1416 53.1293 45.8816 175.6038 69 S 4.7717 9.6761 117.6359 57.1063 64.6253 175.0554 70 G 4.6811 7.5393 110.4704 45.9042 0.0000 171.2573 71 E 4.9812 7.8001 124.0464 54.1628 33.3709 175.6605 72 V 3.9278 8.9981 128.2746 63.5979 32.0200 176.2225 73 T 4.4918 8.8341 117.7164 62.3789 70.9489 174.0468 74 E 4.9606 7.9858 121.2547 54.8279 33.1181 173.7624 75 I 5.0104 8.3530 117.9532 58.9675 41.3097 174.9792 76 N 3.8987 8.0765 122.7220 52.4314 37.8662 175.8901 77 K 4.0205 8.6090 126.8095 58.6806 32.2455 178.7996 78 A 4.0838 8.0635 121.2009 54.4377 18.0271 179.0594 79 L 4.1749 7.4221 115.7888 56.4297 41.7420 178.3177 80 A 3.9626 7.2988 120.9720 54.8511 18.3700 178.1823 81 E 4.3259 7.9635 113.3658 56.7531 31.2179 175.1762 82 N 5.0507 7.9467 116.6275 50.9878 38.9565 173.0318 83 P 4.3939 0.0000 0.0000 65.7313 31.9056 178.2149 84 G 3.7746 8.0035 104.0397 46.2702 0.0000 175.0640 85 L 4.0341 7.9497 121.7601 57.6623 41.3006 179.4331 86 V 3.5763 7.4900 117.7610 66.1172 31.4972 177.5378 87 N 4.7193 7.8678 115.9356 55.6087 38.6687 177.1795 88 K 4.2363 8.0641 118.8420 58.2612 33.5916 177.6640 89 S 4.7361 8.3000 113.6944 57.0692 62.4727 174.5658 90 C 4.2828 7.9710 116.2448 60.9258 30.0908 174.6697 91 Y 4.2525 7.7594 115.4932 57.8742 38.4119 175.1680 92 E 4.6606 7.6698 116.4287 57.4488 31.9639 176.4711 93 D 4.6816 7.7865 128.4209 56.6595 41.9792 177.6028 94 G 4.0593 8.3352 108.1659 44.6520 0.0000 174.0373 95 W 4.5389 7.8713 116.8498 56.9053 28.7817 175.2362 96 L 4.4661 9.1527 119.1978 55.9872 42.8518 176.4708 97 I 5.3924 7.6795 110.1069 59.3099 41.7565 173.3349 98 K 5.2670 9.2551 121.9413 55.0698 35.9814 175.2780 99 M 5.3539 8.8564 119.4366 53.9962 35.0306 174.4013 100 T 4.5455 8.7239 111.9674 61.7122 70.5051 172.9727 101 F 5.5991 7.8321 118.3321 55.3774 39.4702 175.4995 102 S 4.4270 9.1620 117.2047 59.1548 63.8764 174.0359 103 N 4.9346 7.8562 119.2695 49.9422 39.0228 172.1559 104 P 4.4661 0.0000 0.0000 65.0270 31.6812 177.6633 105 S 4.1702 8.4390 113.8211 61.9017 62.6642 176.3864 106 E 4.1998 8.4488 120.9715 59.2556 28.8754 179.3261 107 L 3.9722 7.6253 118.4535 57.5389 41.6971 178.6859 108 D 4.4966 7.8275 117.3995 56.3163 40.7594 177.6720 109 E 4.2225 7.9356 118.4191 57.9034 29.9814 176.1854 110 L 4.5511 7.5686 117.9923 53.7050 44.3060 175.5870 111 M 4.5622 8.8112 119.7403 54.7828 33.3950 177.1062 112 S 4.6219 8.6513 117.4473 58.0609 64.4929 174.7351 113 E 3.9621 9.0941 120.7009 59.4876 29.3084 178.4845 114 E 3.8999 8.2121 118.5986 59.2594 29.7145 178.4856 115 A 4.0107 8.2051 120.8829 55.3452 18.3413 179.0177 116 Y 3.8933 8.3146 118.3344 60.4663 38.7292 177.5642 117 E 3.7833 8.4642 120.7529 59.3754 29.6990 179.0593 118 K 3.9171 8.0613 118.3087 59.4253 32.0071 178.5730 119 Y 4.1342 8.1970 120.3237 60.9047 38.6901 178.4645 120 I 3.1555 7.5412 114.0527 63.2641 37.6300 177.8938 121 K 3.7892 8.0135 121.6500 59.4762 31.7861 178.6611 122 S 4.0264 7.8709 111.9907 61.4115 62.3842 175.7768 123 I 3.7322 7.4072 121.4313 64.4828 36.9142 177.9938 124 E 4.1974 8.1605 117.8488 58.5480 29.4537 177.3074 125 E 4.2745 7.9340 122.8608 56.5400 29.7523 176.3337 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 4.45 0.00 3.99 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 2 V 7.74 4.32 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 0.69 0.00 0.00 0.93 0.00 0.00 3 R 9.09 4.31 0.00 1.61 1.67 0.00 2.61 0.00 0.00 2.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.41 0.00 4 K 8.81 5.03 0.00 1.66 1.74 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.36 7.81 5 F 9.37 5.39 0.00 2.76 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 6 T 8.74 5.07 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 7 E 8.81 3.80 0.00 2.01 1.90 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 2.22 2.36 0.00 8 K 8.08 4.43 0.00 1.89 2.03 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.42 1.38 7.81 9 H 8.56 4.48 0.00 3.67 3.83 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.01 5.23 0.00 1.98 1.90 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 2.29 2.34 0.00 11 W 8.50 5.42 0.00 2.87 2.45 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 12 V 8.96 5.22 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 0.68 0.00 0.00 0.91 0.00 0.00 13 T 9.24 5.13 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 1.17 0.00 0.00 14 T 8.37 5.46 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 0.98 0.00 0.00 15 E 9.28 4.61 0.00 2.17 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 2.17 2.32 0.00 16 N 9.89 4.24 0.00 2.82 2.87 0.00 0.00 7.12 7.65 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 17 G 8.29 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 0.00 0.00 0.00 18 V 7.98 4.79 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 0.98 0.00 0.00 0.91 0.00 0.00 19 G 9.59 4.54 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 0.00 0.00 0.00 20 T 8.91 5.02 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 1.20 0.00 0.00 21 V 8.68 4.23 1.85 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 0.87 0.00 0.00 0.73 0.00 0.00 22 G 6.46 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 0.00 0.00 0.00 23 I 8.15 5.14 1.96 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 0.80 0.90 0.00 0.00 24 S 9.10 4.69 0.00 4.49 4.53 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 25 N 9.35 4.31 0.00 3.09 3.14 0.00 0.00 7.26 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 26 F 8.68 4.07 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 27 A 8.41 4.17 1.61 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 28 Q 8.37 3.98 0.00 2.35 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.66 0.00 29 E 8.22 3.96 0.00 1.95 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 2.32 2.53 0.00 30 A 7.61 3.98 1.18 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 0.00 0.00 31 L 7.80 4.07 0.00 1.79 1.73 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.09 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 33 D 8.54 4.50 0.00 2.67 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 34 V 8.95 4.01 2.20 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 0.79 0.00 0.00 0.99 0.00 0.00 35 V 8.59 4.29 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 0.75 0.00 0.00 1.00 0.00 0.00 36 Y 7.53 4.64 0.00 3.03 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 37 C 7.62 4.89 0.00 2.52 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 38 S 9.11 4.55 0.00 4.05 3.94 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 0.00 0.00 0.00 39 L 8.26 5.32 0.00 1.47 1.51 0.81 1.10 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 40 P 0.00 4.64 0.00 2.11 2.28 0.00 3.87 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 41 E 8.60 4.11 0.00 2.04 1.86 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 2.38 2.30 0.00 42 V 8.18 3.74 2.09 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 0.91 0.00 0.00 0.96 0.00 0.00 43 G 9.02 4.01 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 0.00 44 T 7.71 4.05 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 45 K 8.64 4.74 0.00 1.65 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.47 7.81 46 L 8.95 5.11 0.00 1.52 1.53 0.76 0.89 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 47 N 9.26 5.11 0.00 2.67 2.75 0.00 0.00 6.50 8.23 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 48 K 8.33 4.11 0.00 1.83 1.75 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.45 7.81 49 Q 9.11 4.15 0.00 2.24 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 50 E 8.27 4.37 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 2.38 2.36 0.00 51 E 9.04 4.43 0.00 1.86 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 2.02 2.43 0.00 52 F 9.22 4.85 0.00 2.84 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 53 G 6.78 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 54 A 7.56 4.84 1.19 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 0.00 0.00 0.00 55 L 8.79 5.10 0.00 1.53 1.51 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.08 5.25 0.00 1.95 1.85 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 2.34 2.45 0.00 57 S 8.85 4.99 0.00 3.89 3.81 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 58 V 8.59 3.69 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 0.77 0.00 0.00 0.93 0.00 0.00 59 K 8.13 4.02 0.00 1.74 1.94 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 60 A 7.75 4.39 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 61 A 8.32 5.02 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 62 S 9.02 4.59 0.00 3.83 3.67 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 63 E 8.92 4.26 0.00 1.90 1.68 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 2.03 1.47 0.00 64 L 8.13 4.52 0.00 0.41 0.13 0.59 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.67 5.17 0.00 2.88 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 66 S 9.39 4.60 0.00 4.01 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 67 P 0.00 4.43 0.00 2.16 2.15 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 68 L 7.30 4.91 0.00 1.56 1.56 0.58 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 69 S 9.68 4.77 0.00 3.87 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 70 G 7.54 4.68 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 71 E 7.80 4.98 0.00 2.15 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 2.18 2.23 0.00 72 V 9.00 3.93 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 1.01 0.00 0.00 0.90 0.00 0.00 73 T 8.83 4.49 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 1.22 0.00 0.00 74 E 7.99 4.96 0.00 2.08 1.90 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 2.61 2.44 0.00 75 I 8.35 5.01 1.82 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 1.24 0.83 0.98 0.00 0.00 76 N 8.08 3.90 0.00 1.44 1.95 0.00 0.00 7.50 6.13 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 77 K 8.61 4.02 0.00 1.83 1.82 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.65 7.81 78 A 8.06 4.08 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.42 4.17 0.00 1.53 1.54 0.65 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.30 3.96 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 81 E 7.96 4.33 0.00 1.92 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 2.21 2.27 0.00 82 N 7.95 5.05 0.00 2.77 2.74 0.00 0.00 6.76 7.63 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 83 P 0.00 4.39 0.00 2.42 2.29 0.00 3.81 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 2.12 2.16 0.00 84 G 8.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.03 0.00 1.66 1.72 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.49 3.58 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 0.82 0.00 0.00 0.88 0.00 0.00 87 N 7.87 4.72 0.00 2.82 2.93 0.00 0.00 7.33 7.61 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 88 K 8.06 4.24 0.00 1.75 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.57 7.81 89 S 8.30 4.74 0.00 3.83 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 90 C 7.97 4.28 0.00 3.25 3.23 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 91 Y 7.76 4.25 0.00 2.90 2.56 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 92 E 7.67 4.66 0.00 2.03 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 2.35 2.28 0.00 93 D 7.79 4.68 0.00 2.71 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 94 G 8.34 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 95 W 7.87 4.54 0.00 3.61 3.42 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 96 L 9.15 4.47 0.00 1.73 1.77 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.68 5.39 1.80 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.02 0.89 0.00 0.00 98 K 9.26 5.27 0.00 1.61 1.60 0.00 1.51 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.96 7.81 99 M 8.86 5.35 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 100 T 8.72 4.55 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 1.13 0.00 0.00 101 F 7.83 5.60 0.00 2.99 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 0.00 102 S 9.16 4.43 0.00 4.00 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 0.00 103 N 7.86 4.93 0.00 2.72 2.73 0.00 0.00 7.23 7.71 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 0.00 104 P 0.00 4.47 0.00 2.29 2.31 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.39 0.00 105 S 8.44 4.17 0.00 4.03 3.94 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 0.00 0.00 0.00 106 E 8.45 4.20 0.00 2.08 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 2.47 2.43 0.00 107 L 7.63 3.97 0.00 1.66 1.63 0.56 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.83 4.50 0.00 2.82 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 0.00 109 E 7.94 4.22 0.00 2.03 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 2.31 2.33 0.00 110 L 7.57 4.55 0.00 1.62 1.82 0.85 0.89 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 0.00 111 M 8.81 4.56 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 112 S 8.65 4.62 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 0.00 113 E 9.09 3.96 0.00 2.23 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 2.41 2.41 0.00 114 E 8.21 3.90 0.00 2.08 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 2.38 2.38 0.00 115 A 8.21 4.01 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 0.00 116 Y 8.31 3.89 0.00 2.89 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 0.00 117 E 8.46 3.78 0.00 2.09 2.09 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 2.27 2.49 0.00 118 K 8.06 3.92 0.00 2.00 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 119 Y 8.20 4.13 0.00 2.92 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 0.00 120 I 7.54 3.16 1.55 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 1.20 0.23 -0.17 0.00 0.00 121 K 8.01 3.79 0.00 1.87 1.99 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.43 7.81 122 S 7.87 4.03 0.00 3.95 3.96 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 0.00 123 I 7.41 3.73 1.67 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.28 0.90 0.00 0.00 124 E 8.16 4.20 0.00 1.99 2.03 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 2.48 2.63 0.00 125 E 7.93 4.27 0.00 2.00 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 2.33 2.48 0.00