NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7938 8.3044 120.3649 55.5325 33.5723 174.3617 2 K 4.4914 8.7503 125.2742 54.6962 35.9964 173.4044 3 L 4.6004 9.4636 128.7231 54.9125 42.8293 174.8003 4 E 4.8298 9.7133 121.8138 57.4033 31.5471 175.5086 5 R 5.2446 7.8444 118.5626 54.5756 34.3202 173.3307 6 V 4.8550 9.0414 125.0452 60.2026 34.5904 174.2991 7 T 4.9838 8.9098 121.7783 61.6308 71.3528 173.2135 8 V 4.7573 9.2466 126.4830 60.9372 34.7523 174.1646 9 K 5.0043 9.3115 127.2727 54.8842 35.3232 176.2444 10 N 4.2399 8.6152 122.9326 54.7320 36.6127 174.8300 11 F 4.8531 8.3107 119.7606 57.0293 42.4693 175.2413 12 R 3.5715 8.1831 130.7041 57.5363 29.7211 178.9408 13 S 4.3011 8.8845 121.2684 60.5750 63.3304 173.3177 14 H 4.5520 8.7616 121.1754 55.4179 29.2451 175.3710 15 S 4.1888 8.7483 120.0142 60.4456 63.2542 173.8024 16 D 5.0071 7.9100 123.3384 53.7054 42.2995 173.0748 17 T 4.8004 9.3338 121.6187 61.2743 72.2507 173.2597 18 V 4.8020 8.2375 123.7575 61.3417 34.5342 174.4528 19 V 4.2780 8.8665 127.6277 60.8441 34.8818 173.5211 20 E 4.9151 8.4534 127.7232 54.5443 31.1302 174.7243 21 F 4.9523 9.4761 127.2338 56.2617 40.8065 175.5956 22 K 4.8043 9.0155 121.9360 54.4310 35.1765 175.6128 23 E 4.2524 8.5584 118.9176 57.4071 30.5365 178.3680 24 G 3.7321 8.4044 107.2852 45.2653 0.0000 173.0115 25 I 4.0234 8.2353 122.8968 60.4473 37.0380 175.1677 26 N 4.7790 8.6744 124.3015 51.7153 38.9065 174.3839 27 L 4.6412 8.3898 125.3272 53.0880 43.9582 175.6189 28 I 4.4302 8.2822 125.6830 59.7206 38.7609 174.7905 29 I 4.3860 8.1986 126.6312 59.8441 38.4999 175.5697 30 G 4.0959 8.0948 111.5628 44.9391 0.0000 172.4641 31 Q 4.4023 7.8279 119.5062 54.0530 30.0912 175.4485 32 N 4.4443 8.5407 116.4949 55.1773 38.7776 175.5777 33 G 3.9649 8.8170 109.6227 46.4218 0.0000 174.4779 34 S 4.3233 8.1413 115.3911 58.5711 63.8254 174.2644 35 G 3.7172 8.5873 108.0424 45.2759 0.0000 175.5128 36 K 3.9243 8.3083 120.6526 60.0955 32.0119 179.0970 37 S 4.3127 8.0779 114.5364 61.5774 62.9398 176.8330 38 S 4.3432 8.2189 117.6799 61.6257 62.7735 176.3154 39 L 3.7516 8.0461 122.9117 58.0212 41.9649 178.9841 40 L 3.8109 7.8156 118.5404 57.9817 41.5272 179.3519 41 D 4.5729 9.0188 118.7374 56.9440 40.6752 178.7102 42 A 2.7189 7.3844 121.6319 54.5270 18.1623 179.7122 43 I 3.4851 7.2969 117.9219 64.2438 37.0786 178.4036 44 L 3.9795 7.6468 120.8589 58.1809 42.0144 179.1737 45 V 4.0236 8.1245 118.5813 66.1236 31.2417 178.2190 46 G 3.5598 8.1725 104.7944 47.5608 0.0000 175.5289 47 L 3.8392 7.7350 120.3209 57.1446 41.8021 177.7703 48 Y 4.6682 7.5172 112.4127 57.0523 38.5286 175.8923 49 W 4.3297 8.1501 130.7718 57.0209 31.2397 173.6981 50 P 2.9700 0.0000 0.0000 61.5938 31.5367 175.6832 51 L 4.3047 6.8116 122.2045 53.3292 43.6455 176.3254 52 R 4.4693 8.0456 119.5503 55.6307 30.5747 176.3159 53 I 4.3202 7.4353 119.0984 59.5405 38.4861 177.0712 54 K 3.8787 8.9335 127.7013 59.4268 32.0561 176.6771 55 D 4.7654 8.0629 115.5307 53.0578 39.4046 176.2100 56 I 4.6169 7.7994 120.1301 59.4930 38.8379 175.0000 57 K 4.7630 8.3425 124.6020 53.5831 34.4057 176.2878 58 K 2.0000 8.6968 125.2809 59.2783 31.7691 178.6236 59 D 4.3597 7.7408 116.6383 55.8816 39.3168 177.2803 60 E 4.2565 6.9752 119.0987 57.7372 30.4022 177.6027 61 F 4.2186 7.9883 113.6651 57.2603 38.1370 175.3460 62 T 4.5474 7.0981 117.0956 62.7462 69.0469 174.1306 63 K 3.9448 8.6642 128.3045 56.4932 33.3623 176.0814 64 V 3.7022 8.4341 127.3475 64.9490 31.4280 176.0895 65 G 3.9218 9.5944 115.9251 44.9517 0.0000 172.0280 66 A 4.8820 7.7759 121.0319 50.3564 22.1843 175.7266 67 R 4.4918 8.3156 114.8406 56.9755 33.8533 175.1040 68 D 5.0781 8.2774 118.4463 53.7146 41.0878 175.6904 69 T 4.9162 9.0638 124.4295 62.3137 70.6761 173.4459 70 Y 5.2568 9.2347 127.8172 55.8168 42.2566 174.0666 71 I 4.7382 8.3232 126.9843 59.3795 40.9705 173.7501 72 D 4.9885 8.7331 126.8406 52.2246 44.0565 174.2262 73 L 5.1379 9.0209 126.3437 52.9813 44.7959 175.4085 74 I 5.0449 8.8036 125.3432 59.4389 39.6228 174.7766 75 F 5.4591 8.9181 121.1515 55.5852 41.7925 172.9642 76 E 5.1834 9.3560 121.6845 55.1993 32.3725 175.0573 77 K 4.5804 9.5794 125.3229 56.0191 35.8511 175.3522 78 D 4.3410 9.8806 129.8866 55.5478 38.2681 174.7109 79 G 4.1134 8.3399 106.6100 45.7990 0.0000 173.7480 80 T 4.1750 7.6249 116.6180 62.1437 69.7820 173.3301 81 K 4.7266 8.1149 126.7909 55.4021 33.9491 175.0169 82 Y 5.1902 9.0965 125.6431 56.6713 41.4789 174.9884 83 R 4.8419 8.9920 120.9221 55.5168 33.7199 173.4934 84 I 4.9515 8.6904 127.4372 59.8535 40.3944 174.8675 85 T 4.8652 8.9387 122.3868 61.8605 72.3544 173.2337 86 R 4.9704 8.8547 124.5269 54.2912 34.8455 174.2594 87 R 5.0834 8.5592 122.1877 54.6382 33.6983 173.7413 88 F 5.1385 9.5210 124.6079 55.5072 42.7962 174.1385 89 L 5.0463 8.4436 124.0671 52.8111 44.3978 175.4749 90 K 4.1282 8.9317 129.4678 58.1154 32.3577 176.6952 91 G 4.1348 9.8463 115.2550 45.5391 0.0000 172.8147 92 Y 4.7610 8.0356 120.0451 55.4676 38.6992 175.4397 93 S 4.3038 8.0538 119.5327 60.1407 63.4847 176.2139 94 S 3.9533 7.0568 113.8582 59.7864 62.2201 174.4811 95 G 4.0326 7.6934 107.8138 46.0251 0.0000 173.8873 96 E 4.2498 7.4780 119.6913 57.0304 30.4461 176.7252 97 I 4.6069 8.2794 122.2520 59.9111 41.1222 174.2629 98 H 5.2826 8.6466 122.3316 54.1010 32.9258 172.1634 99 A 4.7971 8.8266 123.8632 50.8032 23.2644 174.4751 100 M 5.1594 8.6203 120.1712 53.7814 35.6578 174.3001 101 K 5.2804 9.5769 124.7114 54.6348 37.3548 175.1305 102 R 4.9849 8.6522 117.4776 54.1580 32.7856 174.9221 103 L 3.5264 8.3628 124.2663 54.5330 42.3194 176.6238 104 V 4.0137 7.9317 128.2200 61.6472 33.5194 177.5761 105 G 3.8333 8.8699 121.0265 46.6165 0.0000 172.9135 106 N 4.7987 8.9297 116.4810 52.6706 39.9455 172.6286 107 E 4.5115 8.0571 115.9691 53.6627 33.6845 175.3505 108 W 4.4614 8.7731 125.3048 56.8989 29.9586 175.8038 109 K 4.6973 8.9833 123.7109 54.3498 35.3180 175.4695 110 H 4.4924 9.0623 121.0933 57.0273 28.5932 175.7268 111 V 3.9595 8.2534 115.4820 62.3950 32.2616 175.2561 112 T 4.3826 7.1026 111.9429 60.5752 70.0158 171.9239 113 E 4.0178 8.5894 124.5478 55.6112 29.9316 175.9601 114 P 4.6253 0.0000 0.0000 61.3443 29.4279 175.6630 115 S 4.6501 7.6252 120.7662 56.8260 67.2032 175.4993 116 S 4.0313 8.4819 118.5181 61.9074 62.7566 177.0851 117 K 3.9661 8.0875 120.2734 59.4705 31.7880 179.1710 118 A 4.0548 7.8067 120.8322 55.1064 18.2756 179.7958 119 I 3.6713 7.9395 118.4267 64.4769 37.1784 178.3982 120 S 4.1002 8.5320 114.1568 61.6558 60.6672 176.1518 121 A 4.1190 7.9195 122.6614 55.1241 17.8418 179.2777 122 F 4.3827 8.1334 118.7434 61.3686 39.4912 177.6415 123 M 4.1098 8.4913 118.9112 58.1553 31.5955 178.1614 124 E 4.1138 8.6410 118.7014 58.1820 29.8496 177.6675 125 K 4.2551 7.1262 116.1216 57.0148 32.9300 176.8667 126 L 4.4177 7.0836 118.8149 54.5392 42.5167 175.6241 127 I 4.4179 7.3586 119.6031 59.6529 41.1787 170.9953 128 P 4.5713 0.0000 0.0000 63.4163 31.4954 176.5761 129 Y 3.1687 9.1297 124.7121 60.6516 38.1997 178.0734 130 N 4.1871 8.1375 117.3120 56.6931 39.1177 176.8355 131 I 3.8411 8.2417 121.6439 63.8996 37.1843 178.1259 132 F 4.0131 8.0308 121.2506 61.2862 39.1309 176.6833 133 L 4.1700 7.4176 115.6199 56.1977 41.5945 177.8798 134 N 4.6273 7.3846 113.8348 53.4840 39.7074 175.2704 135 A 4.5840 8.0408 119.5782 51.4816 20.7850 176.0962 136 I 3.9015 7.5272 114.1062 62.2727 38.6721 175.6767 137 Y 4.3816 7.4252 127.7376 55.8362 38.1848 175.3071 138 I 3.8741 7.8821 129.0330 59.6055 37.1677 176.5604 139 R 3.6507 7.5844 124.7156 55.0263 30.6694 176.2460 140 Q 4.0950 8.3414 120.8905 58.1025 29.0872 176.9491 141 G 3.9321 9.0619 113.2836 45.7119 0.0000 173.3096 142 Q 4.4580 7.9165 117.6149 55.4099 29.3470 177.3875 143 I 3.6297 7.8691 120.4792 64.1349 37.2583 176.3843 144 D 4.6530 7.9421 116.7687 52.8431 39.8229 177.6514 145 A 3.9136 7.8506 125.0396 55.5839 18.4492 180.0685 146 I 3.8292 7.5890 114.4876 63.6765 38.4279 177.0728 147 L 4.1209 8.0019 120.5095 57.5789 41.6803 176.8337 148 E 4.1242 7.6396 120.3214 56.6405 29.2656 176.6048 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 8.30 4.79 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 2 K 8.75 4.49 0.00 1.90 1.68 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.54 7.81 3 L 9.46 4.60 0.00 1.48 1.66 0.58 0.79 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 4 E 9.71 4.83 0.00 2.22 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 2.33 2.34 0.00 5 R 7.84 5.24 0.00 2.18 1.73 0.00 3.11 0.00 0.00 3.65 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 6 V 9.04 4.85 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 0.88 0.00 0.00 0.87 0.00 0.00 7 T 8.91 4.98 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 1.32 0.00 0.00 8 V 9.25 4.76 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 0.98 0.00 0.00 0.73 0.00 0.00 9 K 9.31 5.00 0.00 1.85 1.76 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.52 7.81 10 N 8.62 4.24 0.00 3.26 2.93 0.00 0.00 6.00 8.24 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 11 F 8.31 4.85 0.00 2.96 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 12 R 8.18 3.57 0.00 1.97 1.16 0.00 3.18 0.00 0.00 3.36 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.00 13 S 8.88 4.30 0.00 3.96 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 14 H 8.76 4.55 0.00 3.44 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.75 4.19 0.00 3.93 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 16 D 7.91 5.01 0.00 2.71 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 17 T 9.33 4.80 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 1.23 0.00 0.00 18 V 8.24 4.80 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 0.74 0.00 0.00 0.94 0.00 0.00 19 V 8.87 4.28 1.73 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 -0.23 0.00 0.00 0.77 0.00 0.00 20 E 8.45 4.92 0.00 1.89 1.73 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 2.18 2.36 0.00 21 F 9.48 4.95 0.00 3.11 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 22 K 9.02 4.80 0.00 1.75 1.78 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 23 E 8.56 4.25 0.00 1.99 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 2.36 2.34 0.00 24 G 8.40 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 0.00 0.00 0.00 25 I 8.24 4.02 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.93 0.00 0.00 26 N 8.67 4.78 0.00 2.85 3.02 0.00 0.00 6.98 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 27 L 8.39 4.64 0.00 1.59 1.56 0.95 1.05 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 28 I 8.28 4.43 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.96 0.00 0.00 29 I 8.20 4.39 1.89 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 1.36 0.43 0.93 0.00 0.00 30 G 8.09 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 31 Q 7.83 4.40 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 32 N 8.54 4.44 0.00 2.72 2.78 0.00 0.00 6.87 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 33 G 8.82 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 0.00 0.00 0.00 34 S 8.14 4.32 0.00 4.04 4.12 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 35 G 8.59 3.72 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 0.00 0.00 0.00 36 K 8.31 3.92 0.00 1.87 1.93 0.00 1.62 0.00 0.00 1.86 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.60 7.81 37 S 8.08 4.31 0.00 3.96 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 38 S 8.22 4.34 0.00 4.28 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 0.00 39 L 8.05 3.75 0.00 1.69 1.84 0.77 0.80 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 40 L 7.82 3.81 0.00 2.01 1.42 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 D 9.02 4.57 0.00 2.95 2.97 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 42 A 7.38 2.72 0.61 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 43 I 7.30 3.49 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.76 0.00 0.00 44 L 7.65 3.98 0.00 1.99 2.00 1.34 1.08 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 45 V 8.12 4.02 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 0.92 0.00 0.00 1.12 0.00 0.00 46 G 8.17 3.56 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 0.00 47 L 7.74 3.84 0.00 1.07 0.45 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.52 4.67 0.00 3.17 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 49 W 8.15 4.33 0.00 3.85 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 50 P 0.00 2.97 0.00 1.61 1.39 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 51 L 6.81 4.30 0.00 1.68 1.74 1.31 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.05 4.47 0.00 1.58 1.79 0.00 3.16 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 1.46 1.52 0.00 53 I 7.44 4.32 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.20 1.03 0.00 0.00 54 K 8.93 3.88 0.00 1.73 1.88 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.46 7.81 55 D 8.06 4.77 0.00 2.87 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 56 I 7.80 4.62 2.16 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 1.37 0.00 0.00 57 K 8.34 4.76 0.00 1.72 1.84 0.00 2.01 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.49 7.81 58 K 8.70 2.00 0.00 1.61 1.63 0.00 1.70 0.00 0.00 1.91 0.00 0.00 3.37 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.04 0.80 7.81 59 D 7.74 4.36 0.00 2.78 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 60 E 6.98 4.26 0.00 2.16 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 2.24 2.24 0.00 61 F 7.99 4.22 0.00 1.79 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 62 T 7.10 4.55 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 1.29 0.00 0.00 63 K 8.66 3.94 0.00 1.83 1.73 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.58 7.81 64 V 8.43 3.70 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 0.81 0.00 0.00 0.92 0.00 0.00 65 G 9.59 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 66 A 7.78 4.88 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 67 R 8.32 4.49 0.00 1.76 1.95 0.00 3.13 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 68 D 8.28 5.08 0.00 2.71 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 69 T 9.06 4.92 4.65 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 0.00 0.00 0.00 1.56 0.00 0.00 70 Y 9.23 5.26 0.00 3.02 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 71 I 8.32 4.74 1.67 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.43 0.73 0.00 0.00 72 D 8.73 4.99 0.00 2.41 2.38 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 0.00 0.00 0.00 0.00 73 L 9.02 5.14 0.00 1.51 1.64 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.80 5.04 1.93 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 0.95 0.71 1.07 0.00 0.00 75 F 8.92 5.46 0.00 3.30 3.10 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 76 E 9.36 5.18 0.00 2.16 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 2.32 2.29 0.00 77 K 9.58 4.58 0.00 2.14 1.90 0.00 1.95 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.73 7.81 78 D 9.88 4.34 0.00 2.94 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 79 G 8.34 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 0.00 0.00 0.00 0.00 80 T 7.62 4.17 4.37 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 0.22 0.00 0.00 81 K 8.11 4.73 0.00 1.74 1.50 0.00 1.70 0.00 0.00 2.03 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.73 1.55 7.81 82 Y 9.10 5.19 0.00 1.81 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 83 R 8.99 4.84 0.00 0.67 0.98 0.00 2.21 0.00 0.00 2.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.00 0.00 84 I 8.69 4.95 1.87 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 0.63 0.96 0.00 0.00 85 T 8.94 4.87 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 1.14 0.00 0.00 86 R 8.85 4.97 0.00 1.44 1.18 0.00 3.25 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 87 R 8.56 5.08 0.00 1.93 1.65 0.00 3.05 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 88 F 9.52 5.14 0.00 3.00 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 89 L 8.44 5.05 0.00 1.84 1.81 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.93 4.13 0.00 1.75 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.35 7.81 91 G 9.85 4.13 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 0.00 0.00 0.00 92 Y 8.04 4.76 0.00 2.96 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 93 S 8.05 4.30 0.00 3.87 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 94 S 7.06 3.95 0.00 3.31 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 95 G 7.69 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 0.00 0.00 0.00 96 E 7.48 4.25 0.00 1.83 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 2.35 2.49 0.00 97 I 8.28 4.61 1.79 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.94 0.89 0.00 0.00 98 H 8.65 5.28 0.00 3.00 3.12 0.00 5.62 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 99 A 8.83 4.80 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 0.00 100 M 8.62 5.16 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 101 K 9.58 5.28 0.00 1.77 1.90 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.37 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.24 7.81 102 R 8.65 4.98 0.00 1.37 1.77 0.00 2.68 0.00 0.00 2.92 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.39 0.00 103 L 8.36 3.53 0.00 0.47 1.17 -0.31 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.93 4.01 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 0.84 0.00 0.00 0.87 0.00 0.00 105 G 8.87 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 0.00 106 N 8.93 4.80 0.00 2.50 2.63 0.00 0.00 6.62 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 0.00 107 E 8.06 4.51 0.00 1.82 1.73 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 2.17 2.19 0.00 108 W 8.77 4.46 0.00 3.14 3.11 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 0.00 109 K 8.98 4.70 0.00 1.64 1.66 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.57 7.81 110 H 9.06 4.49 0.00 3.04 3.44 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.25 3.96 1.73 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 0.69 0.00 0.00 0.07 0.00 0.00 112 T 7.10 4.38 4.12 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 1.16 0.00 0.00 113 E 8.59 4.02 0.00 1.97 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 2.29 2.30 0.00 114 P 0.00 4.63 0.00 2.27 2.10 0.00 3.42 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 115 S 7.63 4.65 0.00 4.04 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 0.00 116 S 8.48 4.03 0.00 3.86 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 0.00 117 K 8.09 3.97 0.00 1.80 1.87 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 118 A 7.81 4.05 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 0.00 119 I 7.94 3.67 2.07 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 1.40 0.93 0.93 0.00 0.00 120 S 8.53 4.10 0.00 3.90 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 0.00 121 A 7.92 4.12 1.46 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 0.00 0.00 122 F 8.13 4.38 0.00 3.20 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 0.00 123 M 8.49 4.11 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 124 E 8.64 4.11 0.00 2.05 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 2.35 2.39 0.00 125 K 7.13 4.26 0.00 1.80 1.55 0.00 1.76 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.36 7.81 126 L 7.08 4.42 0.00 1.37 1.52 0.83 0.40 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 0.00 127 I 7.36 4.42 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 0.95 0.00 0.00 128 P 0.00 4.57 0.00 2.29 2.25 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 129 Y 9.13 3.17 0.00 2.55 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 0.00 130 N 8.14 4.19 0.00 2.90 2.78 0.00 0.00 7.25 7.82 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 0.00 131 I 8.24 3.84 2.01 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 1.41 0.28 0.92 0.00 0.00 132 F 8.03 4.01 0.00 3.11 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 0.00 133 L 7.42 4.17 0.00 1.29 1.45 0.63 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 134 N 7.38 4.63 0.00 2.76 2.77 0.00 0.00 6.67 7.23 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 0.00 135 A 8.04 4.58 1.21 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 0.00 0.00 136 I 7.53 3.90 1.34 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.59 0.00 0.00 137 Y 7.43 4.38 0.00 2.07 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 0.00 0.00 0.00 0.00 138 I 7.88 3.87 1.78 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 1.32 0.88 0.80 0.00 0.00 139 R 7.58 3.65 0.00 1.61 1.64 0.00 3.01 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.82 0.00 140 Q 8.34 4.10 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 141 G 9.06 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 7.92 4.46 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 143 I 7.87 3.63 1.84 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 1.44 0.29 0.88 0.00 0.00 144 D 7.94 4.65 0.00 2.79 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 0.00 145 A 7.85 3.91 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 0.00 146 I 7.59 3.83 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 1.38 0.81 0.88 0.00 0.00 147 L 8.00 4.12 0.00 1.73 1.69 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 148 E 7.64 4.12 0.00 1.98 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 2.33 2.23 0.00