NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4480 8.3193 115.4105 57.3433 64.3973 172.4391 4 V 4.4709 7.5778 125.9005 58.8054 31.9106 168.6221 5 P 4.3947 0.0000 0.0000 61.7109 32.9175 175.6879 6 P 4.6990 0.0000 0.0000 62.3350 31.6319 176.8391 7 G 4.1744 8.6446 110.5713 45.8832 0.0000 172.1588 8 D 5.3904 8.7267 119.0096 52.7109 41.6941 175.7227 9 I 4.6315 7.8306 113.1008 59.2009 40.7247 174.1156 10 Q 4.7237 8.7139 119.8261 54.3625 32.4926 175.0651 11 T 5.0816 8.3751 111.7028 60.0354 72.9798 172.9134 12 Q 4.7221 8.7367 121.2825 53.4230 32.3253 173.4172 13 P 4.6071 0.0000 0.0000 62.4697 32.0318 177.0083 14 G 3.8354 8.5396 108.9613 47.8595 0.0000 174.4183 15 T 4.7570 7.4299 106.1705 60.7655 70.5190 173.6388 16 K 4.3320 7.4082 118.9836 56.5002 35.0299 173.8011 17 I 4.4499 7.9771 120.5657 59.0499 40.9687 173.9006 18 V 4.4764 8.2766 128.5408 61.1277 33.4809 174.3723 19 F 4.9692 8.5050 127.1784 56.2147 40.7126 174.6839 20 N 5.3395 9.4432 121.9304 52.0799 39.5872 175.2607 21 A 2.8102 8.4405 125.5163 50.4298 19.3248 175.3134 22 P 4.0490 0.0000 0.0000 62.2747 32.8356 175.5121 23 Y 5.0080 7.9001 115.4184 58.4194 38.6302 176.6974 24 D 5.0234 8.3123 115.8155 54.0807 41.6474 175.8246 25 D 4.8504 7.6538 117.5150 52.5094 45.3685 174.6370 26 K 4.4267 8.5177 122.1172 56.7007 32.9902 175.6500 27 H 4.9098 9.1399 124.3121 54.2190 32.0701 173.1346 28 T 4.8950 8.2443 118.1805 62.1854 70.1710 173.3422 29 Y 4.7040 9.4687 124.9276 56.6151 41.4305 174.2699 30 H 5.8050 8.7884 116.3003 53.4055 32.6303 173.5558 31 I 4.7321 8.2007 121.2523 59.4667 40.9443 174.0847 32 K 4.7348 9.2085 129.6123 55.3684 33.7318 175.2458 33 V 4.7243 8.6536 127.6973 61.0615 34.0915 174.0684 34 I 4.5648 8.4813 128.6165 59.4556 40.4693 174.5145 35 N 4.6751 8.7083 126.4250 53.0283 38.4580 175.0501 36 S 4.5861 8.1145 121.1941 58.6760 63.6586 174.7132 37 S 4.4432 8.3664 115.6472 57.3942 63.9804 173.8818 38 A 4.3199 8.3689 121.5750 53.0340 18.8520 177.2372 39 R 4.8043 7.7425 114.3160 53.5467 33.6434 175.9448 40 R 4.3407 8.5521 121.9515 56.8013 31.3019 175.2924 41 I 5.0704 8.9472 118.4736 59.0896 41.9567 174.0333 42 G 4.9562 9.3312 110.3994 44.7581 0.0000 171.9289 43 Y 5.9594 9.2695 122.5665 55.1841 41.9926 174.6194 44 G 4.5829 10.0269 107.1950 44.5857 0.0000 171.6284 45 I 5.3462 8.8694 123.9565 59.3639 40.0587 175.1100 46 K 4.9659 9.0065 124.0856 55.0607 36.8891 175.0727 47 T 5.2727 8.2802 110.6634 60.2584 71.8966 174.0400 48 T 4.0853 8.5102 111.7718 63.3785 70.3735 173.6378 49 N 5.2142 8.1305 120.7232 51.2889 39.2012 174.0048 50 M 4.1161 8.4853 122.8000 57.8772 32.7220 178.1618 51 K 4.0377 8.2569 116.8779 59.2956 32.5116 177.6886 52 R 4.2709 7.9320 116.5804 57.1989 30.8489 175.6489 53 L 5.7423 7.7093 116.4212 52.6591 44.0013 176.6465 54 G 4.3187 8.3624 107.2462 45.0378 0.0000 171.7696 55 V 5.5424 8.0933 121.7448 60.2442 35.1933 174.4896 56 D 4.6854 8.2140 123.0093 52.8666 44.2150 173.2898 57 P 4.7260 0.0000 0.0000 62.1646 32.3017 174.4889 58 P 4.5867 0.0000 0.0000 63.8319 32.1243 175.0142 59 C 4.3333 6.6514 111.6365 57.2169 31.8968 173.5488 60 G 3.5856 5.7271 106.6079 45.6867 0.0000 171.7637 61 V 5.1001 8.2939 117.8001 61.1756 35.0186 175.7403 62 L 5.0762 9.0665 126.1613 53.0288 45.2281 176.2809 63 D 4.9423 10.0749 124.3697 52.9121 42.5609 174.2229 64 P 4.4197 0.0000 0.0000 64.4956 31.5519 177.4901 65 K 4.0092 9.0043 121.2266 56.5176 31.1486 175.9888 66 E 4.3448 8.3579 121.0320 55.8793 30.8722 175.1504 67 A 5.3748 8.4552 125.8679 50.1748 22.7021 175.6018 68 V 4.4804 8.6471 117.6886 60.2054 35.1775 173.7141 69 L 4.9395 8.5574 125.3240 53.7063 43.4192 175.2444 70 L 4.8642 9.1322 126.1067 52.9976 44.9412 175.1859 71 A 4.8051 8.8423 124.4654 50.3250 21.2913 175.7670 72 V 4.7745 9.6154 124.8235 61.6653 33.3637 174.6453 73 S 5.1130 9.2452 124.0765 57.0141 65.6018 172.7328 74 C 5.0272 9.1547 123.6689 57.6662 33.3386 173.0670 75 D 5.0367 9.1245 126.7865 53.7538 41.3353 176.4755 76 A 4.6977 8.6708 122.4036 52.8972 19.1732 176.5782 77 F 4.7731 8.5739 112.3645 56.3772 41.3906 174.0036 78 A 4.3011 8.5988 123.3815 50.8200 18.0305 177.7114 79 F 4.0722 8.8614 124.8687 62.3313 39.5159 177.9956 80 G 3.4998 8.1201 107.8072 48.4484 0.0000 174.1224 81 Q 4.2236 7.5818 114.9258 56.1772 29.0551 175.2576 82 E 4.6586 7.2266 116.3311 53.8208 32.6298 175.1100 83 D 4.3728 8.3724 120.4512 54.7289 41.4037 176.0040 84 T 4.2886 8.0882 120.5551 62.8456 70.5275 174.0841 85 N 4.6084 8.3229 119.7576 54.8607 39.2338 175.0169 86 N 5.0325 8.0921 114.4449 53.1096 39.6947 173.5582 87 D 5.4028 8.2476 117.6886 53.0698 42.9565 175.6987 88 R 4.9836 8.1513 116.2598 55.6223 33.0745 173.2089 89 I 4.8433 8.6608 120.7042 59.8376 40.5253 174.8880 90 T 5.0363 9.0518 123.0313 61.8132 71.8060 172.9806 91 V 4.7697 9.0108 127.5647 61.5588 33.5029 173.9703 92 E 5.3894 9.7341 129.8227 54.2381 32.0999 174.6287 93 W 6.1744 9.2893 123.1598 55.9637 32.5061 173.3615 94 T 4.8705 9.0457 113.4708 60.7197 70.9747 172.3246 95 N 5.0157 8.7435 123.2341 53.3320 39.6224 174.9405 96 T 3.2285 8.0968 114.4298 60.2966 69.6653 172.7538 97 P 4.2249 0.0000 0.0000 62.2124 32.1145 175.8475 98 D 4.3033 8.5556 120.3402 56.6735 42.2497 175.3729 99 G 3.8129 8.2892 111.2461 42.9408 0.0000 176.8025 100 A 3.4398 8.6089 127.9465 52.4855 17.4009 175.5002 101 A 4.8035 8.2259 120.4805 50.6550 21.9259 176.2326 102 K 4.5176 8.3304 117.9761 56.6212 31.7746 177.7824 103 Q 4.4261 7.7695 116.9751 53.6724 31.3519 175.4569 104 F 3.6187 8.8092 124.8132 58.5429 39.9767 174.9079 105 R 3.6925 5.8400 123.8498 53.6240 32.8014 176.0154 106 R 3.4830 8.0993 123.9029 59.2765 30.3623 178.0193 107 E 4.7705 7.6824 118.3297 58.7287 29.0841 178.9752 108 W 4.5272 7.6206 117.9414 59.4338 29.1382 177.5805 109 F 4.8705 8.2137 115.9737 58.2865 39.1362 177.7541 110 Q 4.3691 7.9722 117.7293 58.4265 29.0936 176.6222 111 G 4.1452 8.0925 109.0136 44.1923 0.0000 172.4015 112 D 4.4338 8.5578 118.6513 54.6947 41.4825 178.0414 113 G 3.6883 7.4884 108.0029 44.7857 0.0000 171.6171 114 M 4.6393 8.1276 119.9535 53.4681 35.0138 175.6539 115 V 4.2881 8.0945 124.7427 60.8957 34.2761 174.3332 116 R 4.2853 8.1503 127.2348 54.3144 32.7744 174.5008 117 R 5.2076 7.9930 122.6403 54.2451 34.4067 174.5538 118 K 4.6883 9.5603 122.6157 54.9669 35.3946 174.5554 119 N 5.2755 8.9529 124.7297 52.0586 40.4520 174.8791 120 L 4.6082 9.0292 123.6006 52.0475 43.9001 173.9936 121 P 4.6236 0.0000 0.0000 62.5216 32.8087 175.5015 122 I 4.2213 8.0589 124.9679 59.9724 38.1050 174.7876 123 E 4.6200 8.5348 128.6030 54.4299 32.3829 173.9060 124 Y 5.0480 8.7685 123.8370 56.4833 40.1073 174.7220 125 N 4.9319 9.5442 124.5075 51.2030 40.5130 172.8831 126 P 4.2016 0.0000 0.0000 62.7014 31.6900 176.2214 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 S 8.32 4.45 0.00 3.98 3.95 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 4 V 7.58 4.47 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 0.65 0.00 0.00 0.93 0.00 0.00 5 P 0.00 4.39 0.00 2.18 2.05 0.00 3.77 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 1.98 1.97 0.00 6 P 0.00 4.70 0.00 1.85 2.04 0.00 3.61 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 7 G 8.64 4.17 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 0.00 8 D 8.73 5.39 0.00 2.79 2.98 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 9 I 7.83 4.63 1.51 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 -0.07 0.24 -0.02 0.00 0.00 10 Q 8.71 4.72 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 11 T 8.38 5.08 4.18 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 1.09 0.00 0.00 12 Q 8.74 4.72 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 13 P 0.00 4.61 0.00 2.30 2.05 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 14 G 8.54 3.84 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 0.00 0.00 0.00 15 T 7.43 4.76 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 1.20 0.00 0.00 16 K 7.41 4.33 0.00 1.76 1.72 0.00 1.44 0.00 0.00 1.59 0.00 0.00 2.68 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.15 1.23 7.81 17 I 7.98 4.45 1.79 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 0.86 1.63 0.62 0.00 0.00 18 V 8.28 4.48 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 0.92 0.00 0.00 0.86 0.00 0.00 19 F 8.50 4.97 0.00 2.84 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 9.44 5.34 0.00 2.67 2.74 0.00 0.00 7.03 8.07 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 21 A 8.44 2.81 0.69 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 22 P 0.00 4.05 0.00 2.20 1.93 0.00 3.53 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 23 Y 7.90 5.01 0.00 2.57 2.46 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 24 D 8.31 5.02 0.00 2.64 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 25 D 7.65 4.85 0.00 2.43 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 26 K 8.52 4.43 0.00 1.78 1.68 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.62 7.81 27 H 9.14 4.91 0.00 3.10 2.90 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.24 4.90 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 1.10 0.00 0.00 29 Y 9.47 4.70 0.00 2.89 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 30 H 8.79 5.81 0.00 3.00 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.20 4.73 1.88 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 1.26 0.72 0.88 0.00 0.00 32 K 9.21 4.73 0.00 1.78 1.64 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.34 7.81 33 V 8.65 4.72 1.74 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 0.64 0.00 0.00 0.72 0.00 0.00 34 I 8.48 4.56 1.78 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 1.05 0.55 0.85 0.00 0.00 35 N 8.71 4.68 0.00 2.82 2.82 0.00 0.00 6.83 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 36 S 8.11 4.59 0.00 3.97 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 37 S 8.37 4.44 0.00 4.03 3.95 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 38 A 8.37 4.32 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 39 R 7.74 4.80 0.00 1.67 1.81 0.00 3.18 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 40 R 8.55 4.34 0.00 1.89 1.75 0.00 3.07 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 41 I 8.95 5.07 2.30 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 1.29 1.00 1.17 0.00 0.00 42 G 9.33 4.96 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 0.00 0.00 0.00 43 Y 9.27 5.96 0.00 3.18 3.21 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 0.00 0.00 0.00 44 G 10.03 4.58 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 45 I 8.87 5.35 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.10 0.97 0.00 0.00 46 K 9.01 4.97 0.00 1.72 1.68 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.40 1.44 7.81 47 T 8.28 5.27 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 1.25 0.00 0.00 48 T 8.51 4.09 4.24 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 1.26 0.00 0.00 49 N 8.13 5.21 0.00 2.65 2.67 0.00 0.00 7.03 8.93 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 50 M 8.49 4.12 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 51 K 8.26 4.04 0.00 1.89 1.89 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.44 7.81 52 R 7.93 4.27 0.00 1.79 1.82 0.00 2.83 0.00 0.00 2.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 53 L 7.71 5.74 0.00 1.64 1.63 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.36 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 0.00 0.00 0.00 0.00 55 V 8.09 5.54 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 0.99 0.00 0.00 0.98 0.00 0.00 56 D 8.21 4.69 0.00 2.73 2.46 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 57 P 0.00 4.73 0.00 2.44 2.07 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 58 P 0.00 4.59 0.00 2.19 2.32 0.00 3.69 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 1.98 1.93 0.00 59 C 6.65 4.33 0.00 1.47 2.10 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 60 G 5.73 3.59 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 0.00 0.00 0.00 61 V 8.29 5.10 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 1.06 0.00 0.00 1.29 0.00 0.00 62 L 9.07 5.08 0.00 1.75 1.55 1.04 1.28 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 63 D 10.07 4.94 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 64 P 0.00 4.42 0.00 2.04 2.24 0.00 3.77 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 2.01 2.06 0.00 65 K 9.00 4.01 0.00 1.89 1.98 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.35 7.81 66 E 8.36 4.34 0.00 2.04 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 2.32 2.28 0.00 67 A 8.46 5.37 1.16 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 68 V 8.65 4.48 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 0.58 0.00 0.00 0.99 0.00 0.00 69 L 8.56 4.94 0.00 1.66 1.63 0.94 0.93 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 70 L 9.13 4.86 0.00 1.65 1.55 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.84 4.81 1.20 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 0.00 0.00 72 V 9.62 4.77 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 1.15 0.00 0.00 1.00 0.00 0.00 73 S 9.25 5.11 0.00 3.88 3.95 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 74 C 9.15 5.03 0.00 2.67 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 75 D 9.12 5.04 0.00 2.74 2.66 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 76 A 8.67 4.70 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 77 F 8.57 4.77 0.00 3.32 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 78 A 8.60 4.30 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 79 F 8.86 4.07 0.00 3.06 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 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 0.00 0.00 0.00 81 Q 7.58 4.22 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 82 E 7.23 4.66 0.00 2.00 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 2.24 2.56 0.00 83 D 8.37 4.37 0.00 2.56 2.50 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 84 T 8.09 4.29 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 1.16 0.00 0.00 85 N 8.32 4.61 0.00 2.68 2.82 0.00 0.00 6.93 7.86 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 86 N 8.09 5.03 0.00 2.69 2.75 0.00 0.00 6.91 8.06 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 87 D 8.25 5.40 0.00 2.70 2.58 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 88 R 8.15 4.98 0.00 1.93 1.95 0.00 2.90 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 89 I 8.66 4.84 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.94 0.00 0.00 90 T 9.05 5.04 4.30 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 1.31 0.00 0.00 91 V 9.01 4.77 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 0.95 0.00 0.00 0.94 0.00 0.00 92 E 9.73 5.39 0.00 2.39 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 1.93 2.17 0.00 93 W 9.29 6.17 0.00 3.71 3.41 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 94 T 9.05 4.87 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 1.66 0.00 0.00 95 N 8.74 5.02 0.00 2.66 2.68 0.00 0.00 6.59 7.05 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 96 T 8.10 3.23 3.64 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 0.46 0.00 0.00 97 P 0.00 4.22 0.00 2.20 2.04 0.00 2.51 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 98 D 8.56 4.30 0.00 2.66 2.69 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 99 G 8.29 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 0.00 0.00 0.00 100 A 8.61 3.44 1.50 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 0.00 0.00 101 A 8.23 4.80 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 0.00 102 K 8.33 4.52 0.00 1.79 1.84 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.55 7.81 103 Q 7.77 4.43 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 104 F 8.81 3.62 0.00 2.77 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 0.00 105 R 5.84 3.69 0.00 0.67 1.02 0.00 3.14 0.00 0.00 2.62 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 106 R 8.10 3.48 0.00 1.75 1.79 0.00 3.20 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 107 E 7.68 4.77 0.00 1.87 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 2.29 2.39 0.00 108 W 7.62 4.53 0.00 3.26 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 0.00 109 F 8.21 4.87 0.00 3.20 3.12 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 0.00 0.00 0.00 110 Q 7.97 4.37 0.00 2.32 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.72 2.44 0.00 111 G 8.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.56 4.43 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 0.00 113 G 7.49 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 0.00 114 M 8.13 4.64 0.00 1.85 1.84 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 2.37 2.34 0.00 115 V 8.09 4.29 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 0.37 0.00 0.00 0.53 0.00 0.00 116 R 8.15 4.29 0.00 1.25 0.66 0.00 2.99 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 117 R 7.99 5.21 0.00 1.65 1.89 0.00 3.16 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.48 0.00 118 K 9.56 4.69 0.00 2.11 1.85 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.49 7.81 119 N 8.95 5.28 0.00 2.65 2.72 0.00 0.00 6.94 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 0.00 120 L 9.03 4.61 0.00 1.48 1.53 0.90 0.91 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 0.00 121 P 0.00 4.62 0.00 2.00 1.92 0.00 3.73 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 2.07 2.09 0.00 122 I 8.06 4.22 1.53 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 0.91 0.61 -0.68 0.00 0.00 123 E 8.53 4.62 0.00 1.86 1.59 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 2.19 2.25 0.00 124 Y 8.77 5.05 0.00 3.14 3.12 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 0.00 0.00 0.00 125 N 9.54 4.93 0.00 2.85 2.77 0.00 0.00 6.54 7.25 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 0.00 126 P 0.00 4.20 0.00 1.92 1.00 0.00 3.88 0.00 0.00 3.91 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