NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5478 8.2233 120.1925 54.1704 42.0687 175.2215 4 M 3.1545 7.6093 118.2214 58.2215 32.6984 176.4857 5 M 4.0138 8.2305 124.8602 57.8203 34.1273 176.7346 6 D 4.9275 8.4478 117.2015 53.6434 42.1497 175.4339 7 L 4.8108 8.1983 119.3620 51.9915 44.1645 174.5550 8 P 4.3926 0.0000 0.0000 62.6082 31.8480 176.0065 9 R 4.8279 8.3886 122.0410 54.4957 32.0278 176.1115 10 S 4.3605 8.5189 120.9069 58.2727 64.3272 173.7632 11 R 4.9268 8.5498 123.7861 55.7782 30.3897 175.6853 12 I 4.8854 8.4063 116.9945 59.1492 41.4888 173.8554 13 N 4.7658 8.4979 118.5033 50.2322 40.4375 175.2223 14 A 4.2096 9.1962 121.8248 55.8349 18.2643 180.4124 15 G 3.8205 7.5417 99.4247 46.9328 0.0000 173.8097 16 M 4.6621 8.2623 121.0267 55.8499 34.1365 179.2092 17 L 4.1912 8.1531 118.7070 57.7612 41.7822 179.1141 18 A 3.9393 8.1608 119.8682 55.1972 18.3772 178.0951 19 Q 4.2599 9.1142 113.7632 56.2901 29.3041 176.4645 20 F 4.6873 8.0622 118.4786 56.5929 39.8926 175.0076 21 I 3.9024 7.7514 114.8483 62.5696 37.3644 175.3815 22 D 4.7789 8.9335 124.5793 53.8134 40.8633 173.7242 23 K 4.7371 8.0555 117.5929 55.2473 34.9692 173.5564 24 P 5.0818 0.0000 0.0000 62.3468 33.1437 175.3822 25 V 5.0190 9.2348 116.6521 59.6945 37.2374 173.7356 26 C 5.2635 9.3724 121.3079 57.8592 34.4826 172.2632 27 F 4.9138 9.8596 129.6832 56.5367 41.2300 173.9289 28 V 4.5392 7.8119 126.2821 61.3640 33.3688 175.0085 29 G 3.9934 7.9059 112.1875 46.4893 0.0000 171.3759 30 R 5.0466 8.4813 120.2319 54.5107 32.3044 175.7604 31 L 4.3011 8.6234 128.3583 56.7309 41.8360 175.3551 32 E 4.1531 9.4004 129.2643 57.0037 29.2410 177.6420 33 K 4.4215 8.8564 121.9413 55.9503 35.2678 176.6787 34 I 4.9196 7.8667 122.1190 60.1802 37.6330 172.8354 35 H 3.9385 8.6255 124.5953 52.3555 31.9238 173.7617 36 P 4.4042 0.0000 0.0000 65.7648 31.5624 177.7886 37 T 3.9243 8.2827 108.8108 62.4791 69.1754 176.3679 38 G 4.0732 8.3441 110.5726 45.5879 0.0000 175.0317 39 K 4.3044 7.6230 118.9181 58.8859 33.9364 176.5169 40 M 5.2869 7.8804 120.3009 54.0846 36.1852 173.3496 41 F 5.3619 8.7326 118.2415 55.7915 42.3383 172.7433 42 I 4.9436 9.7340 121.2734 59.5479 40.0005 174.7758 43 L 5.5238 8.6650 126.0711 53.0971 45.3074 175.4407 44 S 5.2266 9.0669 118.9307 57.0615 65.2518 174.5807 45 D 4.5941 9.7227 125.0315 52.6093 41.2137 176.6917 46 G 3.8879 8.5966 106.9288 47.1647 0.0000 173.8864 47 E 4.4714 9.1725 119.7908 55.7445 29.8502 177.6371 48 G 4.0686 8.0023 110.2418 45.6854 0.0000 175.1544 49 K 4.2202 7.6449 118.7795 56.5842 32.6707 175.3545 50 N 5.3822 8.5955 118.2388 51.6081 41.5017 174.3629 51 G 3.8605 8.9150 108.5167 44.6406 0.0000 171.5929 52 T 4.7126 8.2013 120.2987 62.1437 70.4315 173.5322 53 I 4.5111 8.4269 128.0829 59.5177 39.3194 174.4258 54 E 4.7440 9.2963 127.6250 54.5172 31.7557 175.1704 55 L 4.8379 8.8718 124.9807 53.9440 42.7421 177.1033 56 M 4.2286 8.7503 121.3841 56.8700 32.5935 176.5008 57 E 4.6206 7.8418 117.4745 53.3513 32.7379 173.2294 58 P 4.3503 0.0000 0.0000 62.7550 31.6498 175.5376 59 L 3.9008 7.9552 120.1354 55.3102 41.9736 176.9824 60 D 4.6723 8.7178 121.0328 54.6489 41.8343 174.8927 61 E 4.6651 7.5678 114.6079 55.6189 32.2815 173.6903 62 E 4.2292 8.5751 117.3386 55.7677 30.4293 175.9796 63 I 5.0711 7.8207 123.1526 58.8787 39.8285 174.5748 64 S 4.3984 8.4703 115.8064 58.9406 65.8482 177.5560 65 G 3.8558 8.1187 107.8427 46.4929 0.0000 173.0945 66 I 4.5380 8.0974 122.7053 60.3108 38.9398 175.1574 67 V 4.6324 8.9203 125.8702 61.0193 35.3602 173.5199 68 E 4.9106 9.4837 128.7762 54.6619 31.4568 174.4315 69 V 5.0404 9.1076 127.6979 61.1532 34.4938 174.2524 70 V 4.8043 8.7607 127.6644 61.1805 34.5272 175.1044 71 G 3.9009 7.9496 111.7838 46.5867 0.0000 171.3655 72 R 5.1445 7.8421 119.3402 54.3960 33.3689 175.7667 73 V 4.5758 8.5464 125.5566 62.0835 32.6652 176.3345 74 T 4.5479 8.6737 119.2583 60.9257 69.7658 174.2983 75 A 4.1625 8.3719 123.6159 54.9568 18.4910 177.9594 76 K 4.2848 8.0127 113.6711 57.3189 32.3050 176.3364 77 A 3.7955 7.8671 118.4296 53.4043 16.3112 177.1923 78 T 4.5484 7.7362 109.0720 61.4907 72.6942 172.8347 79 I 4.7640 8.3940 122.1326 59.3165 39.8784 175.2271 80 L 4.5248 8.5719 130.8474 54.5054 42.9161 175.1718 81 C 4.7602 9.1579 128.9507 59.5993 31.5461 173.4129 82 T 4.4235 9.0243 124.1796 66.1079 69.1616 175.1678 83 S 4.7737 7.6577 112.7154 57.7901 65.8046 174.0575 84 Y 5.5804 8.1966 118.1958 55.8966 41.4959 174.2344 85 V 4.7356 9.3584 119.1128 61.5359 36.0024 173.7404 86 Q 5.1596 8.6525 124.6075 53.9096 30.8356 175.0527 87 F 4.2235 8.7064 123.6481 57.7841 39.7866 175.5768 88 K 4.2476 8.4514 122.5772 56.1874 32.5057 176.2707 89 E 4.6341 8.2802 123.3245 58.0983 31.9522 179.2980 90 D 4.4953 7.2882 116.8557 55.7139 40.9164 177.7628 91 S 4.4320 8.5578 114.4989 59.9532 62.8701 173.7386 92 H 4.8494 7.9616 115.8840 52.8218 31.6123 171.5491 93 P 4.3586 0.0000 0.0000 62.7371 31.5372 175.7497 94 F 4.4947 8.7122 124.7736 58.2416 40.0401 176.2197 95 D 4.3623 7.7595 128.3685 52.2089 38.8083 175.7116 96 L 3.8153 7.7023 125.5470 57.8327 42.2850 178.3112 97 G 3.5838 7.9194 105.0404 47.3625 0.0000 175.4551 98 L 3.9153 9.0356 123.5402 57.9234 42.0429 177.9099 99 Y 4.1584 7.9457 119.6036 61.2699 38.5591 177.8193 100 N 4.0523 8.1638 116.9344 56.7603 39.0167 176.4119 101 E 3.8422 8.1130 120.2779 59.0977 29.6964 178.7048 102 A 3.8555 7.7611 120.8991 54.9636 18.4032 179.6289 103 V 3.2867 7.3441 116.7702 66.0585 31.4430 178.3850 104 K 3.9598 8.1511 118.2269 59.6466 31.8995 179.4457 105 I 3.9863 7.7388 119.9522 64.2697 36.7523 178.2887 106 I 3.5009 7.9457 120.2006 65.0062 37.0899 177.9236 107 H 4.4795 8.0665 114.2456 58.0583 28.6729 177.0290 108 D 4.4000 8.2515 120.4047 55.3446 41.6301 176.5260 109 F 5.4814 8.7784 118.5119 55.9602 39.8874 175.3852 110 P 4.2316 0.0000 0.0000 66.1006 31.5894 178.2781 111 Q 3.9216 8.0053 117.7145 57.7163 28.1777 177.7727 112 F 5.1138 8.3164 117.5028 56.9674 40.3119 174.5705 113 Y 5.0315 7.8001 119.4656 56.9390 41.4466 170.1205 114 P 4.4867 0.0000 0.0000 62.8904 32.4405 175.8445 115 L 4.5230 8.1313 119.5655 54.3307 44.2239 177.0975 116 G 4.1400 8.8443 109.9514 45.3645 0.0000 173.0291 117 I 3.8646 8.0797 118.5317 61.5245 37.0609 176.3811 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 D 8.22 4.55 0.00 2.70 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 4 M 7.61 3.15 0.00 2.19 1.93 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 2.71 2.58 0.00 5 M 8.23 4.01 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 6 D 8.45 4.93 0.00 2.71 2.63 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 7 L 8.20 4.81 0.00 1.79 1.57 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.39 0.00 2.07 2.06 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 9 R 8.39 4.83 0.00 1.70 1.87 0.00 3.24 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 10 S 8.52 4.36 0.00 3.18 3.52 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 11 R 8.55 4.93 0.00 1.71 1.88 0.00 3.28 0.00 0.00 3.41 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 12 I 8.41 4.89 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.52 0.00 0.00 13 N 8.50 4.77 0.00 3.20 2.96 0.00 0.00 5.76 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 14 A 9.20 4.21 1.60 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 0.00 0.00 15 G 7.54 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 0.00 0.00 0.00 16 M 8.26 4.66 0.00 2.35 2.59 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 17 L 8.15 4.19 0.00 1.81 1.72 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.16 3.94 1.28 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 0.00 0.00 19 Q 9.11 4.26 0.00 1.77 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 20 F 8.06 4.69 0.00 3.20 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 I 7.75 3.90 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 0.92 0.00 0.00 22 D 8.93 4.78 0.00 2.85 2.94 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 23 K 8.06 4.74 0.00 2.04 1.88 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.74 1.88 7.81 24 P 0.00 5.08 0.00 2.13 2.20 0.00 3.70 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 2.14 2.02 0.00 25 V 9.23 5.02 2.11 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 0.63 0.00 0.00 0.98 0.00 0.00 26 C 9.37 5.26 0.00 2.96 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 27 F 9.86 4.91 0.00 3.16 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 28 V 7.81 4.54 1.38 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 -0.03 0.00 0.00 0.62 0.00 0.00 29 G 7.91 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 30 R 8.48 5.05 0.00 1.87 1.81 0.00 3.11 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 31 L 8.62 4.30 0.00 1.49 1.50 0.78 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.40 4.15 0.00 1.93 1.75 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 2.55 2.46 0.00 33 K 8.86 4.42 0.00 1.74 1.73 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.44 7.81 34 I 7.87 4.92 1.86 0.00 0.00 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 1.25 0.90 0.91 0.00 0.00 35 H 8.63 3.94 0.00 3.45 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.40 0.00 2.25 2.18 0.00 3.28 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.90 0.00 37 T 8.28 3.92 4.20 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 1.19 0.00 0.00 38 G 8.34 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.62 4.30 0.00 1.78 2.06 0.00 1.22 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.30 7.81 40 M 7.88 5.29 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 41 F 8.73 5.36 0.00 3.22 3.07 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 0.00 0.00 0.00 42 I 9.73 4.94 2.09 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 0.70 0.97 0.00 0.00 43 L 8.66 5.52 0.00 1.82 1.84 1.33 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.07 5.23 0.00 3.92 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 45 D 9.72 4.59 0.00 2.61 2.91 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 46 G 8.60 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 47 E 9.17 4.47 0.00 2.14 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 2.23 2.35 0.00 48 G 8.00 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.64 4.22 0.00 2.03 1.81 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.45 7.81 50 N 8.60 5.38 0.00 2.60 2.72 0.00 0.00 6.67 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 51 G 8.91 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 52 T 8.20 4.71 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 1.10 0.00 0.00 53 I 8.43 4.51 0.56 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.73 0.55 0.00 0.00 54 E 9.30 4.74 0.00 1.75 1.76 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 2.11 2.12 0.00 55 L 8.87 4.84 0.00 1.66 1.78 1.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 56 M 8.75 4.23 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 57 E 7.84 4.62 0.00 1.92 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 2.21 2.27 0.00 58 P 0.00 4.35 0.00 2.20 2.25 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 59 L 7.96 3.90 0.00 1.73 1.90 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.72 4.67 0.00 2.66 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 61 E 7.57 4.67 0.00 2.10 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 2.35 2.38 0.00 62 E 8.58 4.23 0.00 2.08 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 2.27 2.32 0.00 63 I 7.82 5.07 1.53 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.01 0.41 0.00 0.00 64 S 8.47 4.40 0.00 3.87 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 65 G 8.12 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 66 I 8.10 4.54 1.68 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 1.46 1.84 0.13 0.00 0.00 67 V 8.92 4.63 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 0.93 0.00 0.00 0.69 0.00 0.00 68 E 9.48 4.91 0.00 2.19 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 0.00 2.33 2.30 0.00 69 V 9.11 5.04 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 0.96 0.00 0.00 1.24 0.00 0.00 70 V 8.76 4.80 2.14 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 1.05 0.00 0.00 1.00 0.00 0.00 71 G 7.95 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 72 R 7.84 5.14 0.00 1.92 1.76 0.00 3.10 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 73 V 8.55 4.58 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 0.97 0.00 0.00 1.08 0.00 0.00 74 T 8.67 4.55 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 1.20 0.00 0.00 75 A 8.37 4.16 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 76 K 8.01 4.28 0.00 1.73 1.81 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 77 A 7.87 3.80 1.29 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 0.00 0.00 78 T 7.74 4.55 4.33 0.00 0.00 0.00 0.00 0.00 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 79 I 8.39 4.76 1.67 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.87 0.87 0.00 0.00 80 L 8.57 4.52 0.00 1.76 1.54 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 81 C 9.16 4.76 0.00 2.98 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 82 T 9.02 4.42 4.40 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 1.23 0.00 0.00 83 S 7.66 4.77 0.00 3.81 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 84 Y 8.20 5.58 0.00 2.96 3.07 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 0.00 0.00 0.00 85 V 9.36 4.74 2.25 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 0.86 0.00 0.00 1.00 0.00 0.00 86 Q 8.65 5.16 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 87 F 8.71 4.22 0.00 2.58 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 88 K 8.45 4.25 0.00 1.67 1.73 0.00 1.33 0.00 0.00 1.45 0.00 0.00 2.93 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.46 7.81 89 E 8.28 4.63 0.00 2.04 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 2.43 2.53 0.00 90 D 7.29 4.50 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 91 S 8.56 4.43 0.00 3.85 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 92 H 7.96 4.85 0.00 3.11 3.22 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.36 0.00 2.21 2.11 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 94 F 8.71 4.49 0.00 3.03 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 95 D 7.76 4.36 0.00 2.59 2.26 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 96 L 7.70 3.82 0.00 1.78 1.63 1.00 1.10 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 97 G 7.92 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 L 9.04 3.92 0.00 1.69 1.68 0.89 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.95 4.16 0.00 3.09 3.17 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 0.00 100 N 8.16 4.05 0.00 2.91 2.92 0.00 0.00 6.97 7.13 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 0.00 101 E 8.11 3.84 0.00 2.27 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 0.00 2.28 2.35 0.00 102 A 7.76 3.86 1.17 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 0.00 103 V 7.34 3.29 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 1.00 0.00 0.00 0.24 0.00 0.00 104 K 8.15 3.96 0.00 1.95 1.85 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.79 7.81 105 I 7.74 3.99 1.97 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 1.65 0.90 0.90 0.00 0.00 106 I 7.95 3.50 1.79 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 -0.16 0.62 0.00 0.00 107 H 8.07 4.48 0.00 3.22 3.41 0.00 5.84 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 0.00 108 D 8.25 4.40 0.00 2.55 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 0.00 0.00 0.00 109 F 8.78 5.48 0.00 3.19 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 0.00 110 P 0.00 4.23 0.00 2.22 2.34 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 111 Q 8.01 3.92 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 7.03 0.00 0.00 0.00 0.00 0.00 1.16 1.40 0.00 112 F 8.32 5.11 0.00 3.08 2.95 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 0.00 113 Y 7.80 5.03 0.00 3.00 2.90 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 0.00 114 P 0.00 4.49 0.00 2.23 2.10 0.00 3.68 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 1.94 1.97 0.00 115 L 8.13 4.52 0.00 1.62 1.61 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.84 4.14 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 0.00 0.00 0.00 117 I 8.08 3.86 1.88 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 1.27 0.58 0.91 0.00 0.00