NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4170 8.2893 120.3489 54.9202 33.3996 175.1364 2 E 3.9868 8.4878 122.0600 54.8602 30.6046 175.1032 3 S 4.1688 8.3822 114.6805 58.4112 63.9295 176.5683 4 K 4.2243 8.5373 124.4808 58.5552 32.7766 178.8099 5 R 3.8555 7.7721 116.6440 58.5482 29.3288 177.8058 6 N 4.7040 7.9427 114.9490 54.2168 39.0359 175.1273 7 K 4.6014 7.6358 118.1286 54.5138 33.4178 175.2191 8 P 4.7822 0.0000 0.0000 63.4101 32.3925 175.3837 9 G 3.9007 8.2556 107.4613 46.0352 0.0000 172.1023 10 K 5.1286 8.4452 119.0181 54.2167 34.2105 176.6928 11 A 4.6552 8.8684 126.6003 52.3860 19.7580 176.5754 12 T 4.9506 9.0342 110.8167 59.9447 73.0663 173.5490 13 G 4.1593 9.0539 107.5397 45.2387 0.0000 173.2453 14 K 4.0863 9.2413 119.3649 55.4786 33.2147 177.9717 15 G 4.0859 8.3897 107.5323 44.4622 0.0000 172.3536 16 K 4.6774 8.1192 115.9650 53.6861 36.0468 174.3374 17 P 4.9120 0.0000 0.0000 62.1066 31.8219 176.3838 18 V 4.4905 8.0085 114.8140 59.5291 35.4714 174.9595 19 G 4.1004 8.2022 110.3373 44.0466 0.0000 173.9525 20 D 4.6832 8.5905 117.2049 54.8463 39.9252 176.7963 21 K 4.6432 7.9300 119.8548 56.1682 32.8936 178.3063 22 W 4.3599 8.2879 120.8891 59.8461 27.7877 177.1814 23 L 3.6205 7.1107 117.8537 56.1386 40.8906 178.4450 24 D 4.4759 7.8773 118.6289 56.8092 41.0193 177.4425 25 D 4.5858 8.0510 117.8489 55.5497 41.0831 178.1189 26 A 4.2544 8.2097 123.3728 54.4895 18.5879 178.9846 27 G 3.9888 8.0514 102.2522 45.4688 0.0000 173.6157 28 K 4.3339 8.1966 120.0494 55.6359 34.0400 180.0151 29 D 3.5874 7.1408 115.4209 53.4798 42.5257 175.6484 30 S 4.6219 8.3076 118.2101 58.2268 63.8041 175.3840 31 G 3.9247 8.7418 110.9826 44.6520 0.0000 173.1301 32 A 4.9082 8.3705 119.9797 49.8014 21.0799 175.7961 33 P 4.8266 0.0000 0.0000 62.2288 33.1597 175.9821 34 I 3.9380 8.2264 121.5174 60.4694 38.2217 174.3407 35 P 4.6169 0.0000 0.0000 62.2598 32.1409 177.1624 36 D 4.7427 8.7290 124.2031 56.2610 38.8726 179.4240 37 R 3.9998 7.6892 118.1632 58.8535 30.4007 178.5571 38 I 3.7497 7.4863 119.2133 64.1948 37.1777 178.0390 39 A 4.0484 7.9395 121.6645 55.3064 17.9664 179.4059 40 D 4.3546 7.9962 116.2923 56.9650 40.8583 178.6159 41 K 4.1733 7.7424 118.5772 58.3393 32.5995 178.2682 42 L 4.6089 7.7175 117.1961 54.0193 42.7477 176.5312 43 R 4.3290 7.4512 119.5771 57.9999 30.3145 176.4074 44 D 4.8186 8.9880 123.9375 54.2125 40.3086 174.9297 45 K 4.0498 7.8731 119.5236 56.1432 33.2198 175.6968 46 E 4.6409 8.2506 125.0045 55.3259 30.7874 175.2291 47 F 4.9717 8.8365 124.9020 55.6288 42.1929 176.7494 48 K 4.1313 9.1949 121.4321 59.1825 32.5791 177.7539 49 S 4.9455 7.7612 113.1126 57.0778 66.6401 175.2365 50 F 4.3190 9.0362 124.0775 61.4657 38.9601 176.6744 51 D 4.2916 8.2950 117.4598 57.0761 41.1150 177.5632 52 D 4.3447 8.0479 118.4024 57.2123 41.2295 177.8574 53 F 2.9586 8.0792 120.8805 60.9607 39.3922 176.9450 54 R 3.3551 7.7765 118.3819 59.1495 29.8361 178.3035 55 K 4.3387 8.1643 120.4390 59.0343 32.1359 178.6502 56 A 4.1118 7.6359 120.8904 54.8388 18.2018 179.7004 57 V 3.0523 7.1698 116.9243 65.9817 31.4267 178.4635 58 W 4.3684 7.6671 118.2391 59.5784 28.6752 178.4045 59 E 4.1412 8.3378 118.7401 59.6956 28.7187 179.3504 60 E 3.9504 8.1085 117.3600 59.1146 29.7217 179.1692 61 V 3.7678 7.9966 118.8449 66.1058 31.4969 178.2810 62 S 4.2671 8.5088 114.0270 61.1201 62.5683 175.8440 63 K 4.4440 7.5943 119.7823 56.0911 32.5154 176.5564 64 D 4.6807 7.6294 120.1096 52.0929 41.7472 174.3996 65 P 4.2863 0.0000 0.0000 66.0406 31.1639 178.4520 66 E 4.1175 8.1601 115.6930 59.2726 29.6509 178.8219 67 L 4.3261 8.1504 118.1585 56.5269 42.0306 178.3991 68 S 4.7829 7.9142 112.2574 57.7082 63.3443 175.5754 69 K 3.7973 7.5456 123.2801 59.8687 31.8844 176.9437 70 N 4.8246 8.0384 111.9491 52.9187 38.8131 174.9580 71 L 4.2295 7.7065 119.8804 54.2019 42.4238 177.3784 72 N 4.6984 8.5047 120.6796 51.6263 39.7121 174.3431 73 P 4.2317 0.0000 0.0000 66.0584 31.3158 178.8414 74 S 4.1126 8.0828 111.0700 61.5612 62.3992 175.8123 75 N 4.3113 9.0010 119.6178 56.0387 38.3568 177.5966 76 K 4.0054 8.5062 120.5800 59.4930 32.2329 179.2956 77 S 4.1395 8.2282 113.4163 61.3030 62.2905 176.3251 78 S 4.2599 8.1827 117.9144 61.9439 62.6621 177.2810 79 V 4.0335 8.2341 116.3162 63.5767 31.0200 178.7606 80 S 4.3666 7.8448 114.4943 60.1113 62.8205 175.6606 81 K 4.3826 7.5770 118.9738 55.7973 32.2850 177.2901 82 G 3.9095 8.1083 108.6842 45.2745 0.0000 172.8067 83 Y 4.5364 7.6507 117.8074 57.0208 39.4193 175.3366 84 S 2.9537 8.4542 119.5657 57.4721 63.8589 172.4861 85 P 4.3009 0.0000 0.0000 62.0950 32.7738 175.6084 86 F 4.9224 8.5254 120.4572 58.3241 39.5354 175.3381 87 T 4.0819 8.1317 113.5996 59.5933 70.6065 172.7095 88 P 4.3790 0.0000 0.0000 62.2779 32.1947 178.0092 89 K 3.8391 8.6300 120.7527 59.6099 32.0700 178.5446 90 N 4.5838 8.0533 113.2923 54.1706 37.6481 175.1702 91 Q 4.5105 8.1871 117.6114 55.8004 29.7242 175.3140 92 Q 4.5011 7.6800 117.3725 55.0228 30.0040 175.8276 93 V 4.2425 8.2565 119.1642 61.9194 34.6092 175.7019 94 G 3.6989 8.5150 118.6669 46.9827 0.0000 174.5099 95 G 3.6628 8.8410 112.8225 46.1540 0.0000 172.9458 96 R 4.4425 8.1815 120.8259 54.8650 30.1997 176.6347 97 K 4.6197 8.5462 120.8337 55.6427 34.0765 176.1464 98 V 4.8900 7.3856 111.1123 58.9763 35.1289 175.0488 99 Y 4.4144 8.0360 119.8941 58.8990 38.6181 176.0089 100 E 4.9988 9.5905 122.0994 54.5963 33.4187 175.0071 101 L 5.0340 8.8077 123.2405 54.4231 43.1459 175.5888 102 H 4.9914 9.3321 123.1650 54.6303 33.2782 171.8555 103 H 4.8001 8.6300 122.4469 55.0486 28.9134 174.5153 104 D 4.2921 9.0568 125.0405 57.0845 41.5725 176.5570 105 K 4.1956 8.9729 123.7114 54.5638 32.3364 174.5212 106 P 4.5196 0.0000 0.0000 62.5783 32.1252 177.7610 107 I 3.8688 8.4857 121.6294 63.8021 37.1844 178.5524 108 S 4.2182 8.0095 113.4533 60.3771 62.9296 174.7163 109 Q 4.4231 8.1067 119.4121 55.6243 28.6341 176.4002 110 G 3.8929 8.1408 105.5786 45.2992 0.0000 174.7974 111 G 3.9773 7.5165 108.0881 44.7639 0.0000 173.1046 112 E 4.2970 8.3437 121.6712 55.2870 30.6192 177.3412 113 V 3.2538 8.3165 122.7048 65.5068 31.4123 176.5307 114 Y 4.2146 7.7147 115.2254 57.4319 38.3845 174.3087 115 D 5.1318 7.7288 120.4984 52.9747 40.9715 176.7766 116 M 4.2960 8.9594 127.3565 57.1968 32.0995 177.1151 117 D 4.6243 8.4415 117.9349 54.9262 41.4276 176.1229 118 N 4.9345 8.5183 118.0510 53.1559 40.4414 173.2961 119 I 4.9823 7.7050 117.9452 60.1880 39.6290 175.0623 120 R 4.9343 9.1023 125.2412 54.3688 34.1973 174.6921 121 V 4.7734 9.0720 122.8193 62.0803 33.0059 174.9941 122 T 5.4188 9.2622 118.2140 59.9654 72.4551 173.4181 123 T 4.4026 8.3747 112.4776 60.5205 70.4864 174.0160 124 P 4.2463 0.0000 0.0000 65.7483 31.3243 178.7109 125 K 3.8535 7.9898 118.1211 59.6655 32.0523 178.7399 126 R 3.8783 7.8224 118.4204 59.7494 30.0104 177.9750 127 H 4.2560 8.6572 118.4616 59.2815 29.8285 177.3680 128 I 3.8208 8.1547 121.9940 64.0859 36.9094 178.1315 129 D 4.3312 8.1016 119.9581 57.4307 40.4641 178.6257 130 I 3.7023 7.7314 119.1956 64.4315 37.2089 177.3405 131 H 4.7821 8.0395 115.1724 54.6210 29.6866 175.5689 132 R 3.8608 9.0718 117.6044 57.5364 27.7746 177.1928 133 G 3.9688 8.8828 104.1715 44.9748 0.0000 173.3879 134 K 4.1201 7.5921 125.6295 56.3272 32.2052 175.4862 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 8.29 4.42 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 2 E 8.49 3.99 0.00 2.32 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 2.29 2.37 0.00 3 S 8.38 4.17 0.00 3.84 3.76 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 4 K 8.54 4.22 0.00 1.96 2.02 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.33 7.81 5 R 7.77 3.86 0.00 1.84 1.97 0.00 2.67 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 6 N 7.94 4.70 0.00 2.91 3.00 0.00 0.00 6.95 7.64 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 7 K 7.64 4.60 0.00 1.85 1.80 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.59 7.81 8 P 0.00 4.78 0.00 1.95 2.09 0.00 3.78 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 2.06 2.28 0.00 9 G 8.26 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 10 K 8.45 5.13 0.00 1.61 1.70 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.62 7.81 11 A 8.87 4.66 1.62 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 0.00 0.00 12 T 9.03 4.95 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 1.24 0.00 0.00 13 G 9.05 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 14 K 9.24 4.09 0.00 1.81 1.79 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.36 7.81 15 G 8.39 4.09 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 0.00 0.00 0.00 16 K 8.12 4.68 0.00 1.74 1.64 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.54 7.81 17 P 0.00 4.91 0.00 2.02 1.95 0.00 3.66 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 18 V 8.01 4.49 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 0.78 0.00 0.00 0.55 0.00 0.00 19 G 8.20 4.10 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 0.00 0.00 0.00 20 D 8.59 4.68 0.00 2.86 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 21 K 7.93 4.64 0.00 1.86 2.05 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.39 7.81 22 W 8.29 4.36 0.00 3.59 3.46 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 23 L 7.11 3.62 0.00 1.25 1.19 0.24 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.88 4.48 0.00 2.78 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 25 D 8.05 4.59 0.00 2.97 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 26 A 8.21 4.25 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 27 G 8.05 3.99 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 0.00 0.00 0.00 28 K 8.20 4.33 0.00 2.01 1.74 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.41 7.81 29 D 7.14 3.59 0.00 2.75 2.77 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 30 S 8.31 4.62 0.00 3.83 3.85 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 31 G 8.74 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 0.00 0.00 0.00 32 A 8.37 4.91 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 33 P 0.00 4.83 0.00 2.12 2.11 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 34 I 8.23 3.94 1.99 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 1.59 1.23 0.85 0.00 0.00 35 P 0.00 4.62 0.00 1.71 1.44 0.00 3.19 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.98 0.00 36 D 8.73 4.74 0.00 2.87 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 37 R 7.69 4.00 0.00 1.66 1.94 0.00 3.14 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 38 I 7.49 3.75 1.80 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 1.26 0.76 0.71 0.00 0.00 39 A 7.94 4.05 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 40 D 8.00 4.35 0.00 2.81 2.73 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 41 K 7.74 4.17 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.74 7.81 42 L 7.72 4.61 0.00 1.81 1.99 0.66 0.96 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 43 R 7.45 4.33 0.00 1.96 1.87 0.00 3.32 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 44 D 8.99 4.82 0.00 2.87 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 45 K 7.87 4.05 0.00 1.82 1.18 0.00 1.72 0.00 0.00 1.45 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.50 7.81 46 E 8.25 4.64 0.00 1.80 1.63 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 2.14 2.24 0.00 47 F 8.84 4.97 0.00 2.82 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 48 K 9.19 4.13 0.00 1.87 1.94 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.42 7.81 49 S 7.76 4.95 0.00 4.16 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 50 F 9.04 4.32 0.00 3.06 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 51 D 8.30 4.29 0.00 2.85 2.73 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 52 D 8.05 4.34 0.00 2.95 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 53 F 8.08 2.96 0.00 2.90 2.89 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 54 R 7.78 3.36 0.00 1.57 1.98 0.00 3.35 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 55 K 8.16 4.34 0.00 1.84 1.94 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.23 7.81 56 A 7.64 4.11 1.32 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 0.00 0.00 0.00 57 V 7.17 3.05 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 0.18 0.00 0.00 -0.11 0.00 0.00 58 W 7.67 4.37 0.00 3.43 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 59 E 8.34 4.14 0.00 2.16 2.00 0.00 0.00 0.00 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 60 E 8.11 3.95 0.00 1.93 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 2.47 2.39 0.00 61 V 8.00 3.77 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 1.44 0.00 0.00 0.98 0.00 0.00 62 S 8.51 4.27 0.00 4.13 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 0.00 63 K 7.59 4.44 0.00 1.71 1.89 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.65 7.81 64 D 7.63 4.68 0.00 2.70 2.52 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 65 P 0.00 4.29 0.00 2.20 2.11 0.00 3.63 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 2.12 2.20 0.00 66 E 8.16 4.12 0.00 2.07 2.00 0.00 0.00 0.00 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 67 L 8.15 4.33 0.00 1.62 1.74 0.56 0.01 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 68 S 7.91 4.78 0.00 4.15 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 0.00 69 K 7.55 3.80 0.00 2.00 1.97 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.47 7.81 70 N 8.04 4.82 0.00 2.79 2.85 0.00 0.00 6.93 7.85 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 71 L 7.71 4.23 0.00 1.82 1.62 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.50 4.70 0.00 3.01 2.98 0.00 0.00 6.22 7.76 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 73 P 0.00 4.23 0.00 2.19 2.17 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 74 S 8.08 4.11 0.00 3.92 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 75 N 9.00 4.31 0.00 2.87 2.83 0.00 0.00 7.05 7.18 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 76 K 8.51 4.01 0.00 1.95 1.88 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.76 7.81 77 S 8.23 4.14 0.00 3.91 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 78 S 8.18 4.26 0.00 3.96 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 79 V 8.23 4.03 2.49 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 0.90 0.00 0.00 1.08 0.00 0.00 80 S 7.84 4.37 0.00 4.09 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 81 K 7.58 4.38 0.00 2.12 1.84 0.00 1.99 0.00 0.00 1.83 0.00 0.00 3.29 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.63 7.81 82 G 8.11 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 83 Y 7.65 4.54 0.00 2.98 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 84 S 8.45 2.95 0.00 3.59 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 85 P 0.00 4.30 0.00 2.02 1.91 0.00 2.20 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.30 0.00 86 F 8.53 4.92 0.00 2.94 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 87 T 8.13 4.08 3.76 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 -0.03 0.00 0.00 88 P 0.00 4.38 0.00 2.29 1.99 0.00 3.51 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 2.12 2.12 0.00 89 K 8.63 3.84 0.00 1.74 1.79 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.31 7.81 90 N 8.05 4.58 0.00 2.78 2.91 0.00 0.00 5.83 7.39 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 91 Q 8.19 4.51 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 92 Q 7.68 4.50 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 93 V 8.26 4.24 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 1.04 0.00 0.00 0.94 0.00 0.00 94 G 8.51 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 0.00 0.00 0.00 95 G 8.84 3.66 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 96 R 8.18 4.44 0.00 2.03 2.07 0.00 3.08 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 97 K 8.55 4.62 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 98 V 7.39 4.89 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 0.62 0.00 0.00 0.92 0.00 0.00 99 Y 8.04 4.41 0.00 2.95 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 0.00 100 E 9.59 5.00 0.00 1.96 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 2.33 2.53 0.00 101 L 8.81 5.03 0.00 1.91 1.90 0.80 1.04 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 0.00 102 H 9.33 4.99 0.00 2.88 3.06 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.63 4.80 0.00 2.92 3.29 0.00 5.95 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.06 4.29 0.00 2.63 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 0.00 105 K 8.97 4.20 0.00 1.76 1.81 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.39 7.81 106 P 0.00 4.52 0.00 2.20 1.96 0.00 3.65 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 107 I 8.49 3.87 1.70 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.55 0.77 0.00 0.00 108 S 8.01 4.22 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 0.00 109 Q 8.11 4.42 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 110 G 8.14 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 0.00 111 G 7.52 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.34 4.30 0.00 1.95 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 2.28 2.27 0.00 113 V 8.32 3.25 1.70 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 -0.17 0.00 0.00 0.66 0.00 0.00 114 Y 7.71 4.21 0.00 3.15 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 0.00 115 D 7.73 5.13 0.00 2.75 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 0.00 116 M 8.96 4.30 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.82 0.00 117 D 8.44 4.62 0.00 2.80 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 0.00 118 N 8.52 4.93 0.00 2.94 2.84 0.00 0.00 6.94 7.30 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 0.00 119 I 7.70 4.98 1.95 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 1.28 0.85 1.08 0.00 0.00 120 R 9.10 4.93 0.00 1.76 1.94 0.00 3.32 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 121 V 9.07 4.77 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 1.16 0.00 0.00 1.05 0.00 0.00 122 T 9.26 5.42 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 1.20 0.00 0.00 123 T 8.37 4.40 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 1.18 0.00 0.00 124 P 0.00 4.25 0.00 2.27 2.19 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 125 K 7.99 3.85 0.00 1.94 1.98 0.00 1.52 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.49 7.81 126 R 7.82 3.88 0.00 2.01 2.05 0.00 3.19 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 127 H 8.66 4.26 0.00 3.36 3.37 0.00 5.66 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 0.00 128 I 8.15 3.82 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 1.52 0.53 0.88 0.00 0.00 129 D 8.10 4.33 0.00 2.90 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 0.00 130 I 7.73 3.70 1.91 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 1.46 0.55 0.65 0.00 0.00 131 H 8.04 4.78 0.00 3.16 3.25 0.00 5.76 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 9.07 3.86 0.00 1.94 1.96 0.00 3.29 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 133 G 8.88 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 0.00 0.00 0.00 134 K 7.59 4.12 0.00 1.65 1.63 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.33 7.81