NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.2455 8.5298 119.7225 55.7281 33.8489 174.5020 2 D 4.5418 8.0477 118.4499 50.6290 42.6044 171.9112 3 E 3.9616 9.6863 119.0425 59.9053 30.4354 180.7935 4 I 3.7467 7.8212 119.3923 64.4614 37.3053 177.8433 5 D 4.3981 8.6174 119.8615 57.4819 40.5672 178.9389 6 L 4.0308 7.8539 118.9868 57.9183 41.4145 179.8517 7 R 3.9506 7.9889 117.6976 59.1089 29.8948 179.2652 8 I 3.8451 7.8574 119.7174 64.4694 37.1974 178.5000 9 L 3.9740 8.2655 120.2068 57.6265 41.1776 179.5094 10 K 3.9890 8.1749 118.9948 59.0895 32.2974 178.6825 11 I 4.0568 7.3433 118.8484 64.1737 36.9245 178.2449 12 L 4.2618 8.1719 119.9433 57.5531 41.1648 179.4033 13 Q 3.9608 8.0422 116.7083 58.3420 28.5031 177.0975 14 Y 4.7229 7.1774 117.9327 58.1370 39.8144 175.2067 15 N 4.7231 8.3682 119.4987 51.9283 40.0131 174.0802 16 A 4.4627 8.5968 127.1908 52.9956 19.0267 177.8208 17 K 4.3624 8.0936 114.3870 55.9497 32.8171 176.3876 18 Y 4.4010 7.5390 120.5347 57.3179 39.3577 176.6214 19 S 4.2754 8.0901 121.8753 58.1457 65.0918 175.4875 20 L 3.9502 8.3115 123.1079 58.1371 41.4264 179.5544 21 D 4.3199 7.9071 118.2933 57.4041 40.8256 178.5992 22 E 3.7885 7.8006 118.8618 59.2217 29.2314 179.4935 23 I 3.8304 7.6304 119.6249 64.3760 37.2079 178.2604 24 A 3.9881 8.3294 122.0590 55.2800 17.9411 179.7095 25 R 3.8528 7.8008 116.2760 59.2741 30.1943 178.2138 26 E 4.1179 8.0549 118.6410 59.0965 29.9456 178.2016 27 I 4.0258 7.9366 110.0294 60.0543 39.5422 174.8182 28 R 3.8046 8.0341 120.6777 56.4007 27.9645 174.6255 29 I 4.6250 7.0390 110.6483 57.5194 41.1095 174.2965 30 P 4.3531 0.0000 0.0000 62.5540 32.9504 177.6904 31 K 3.9308 8.6709 122.3730 59.5975 32.1764 179.3690 32 S 4.1355 8.0026 114.1903 61.8532 62.9268 176.5525 33 T 3.9819 7.8674 118.9861 65.9563 68.1873 176.3583 34 L 3.9680 8.1425 122.5215 58.4299 42.1876 179.2191 35 S 4.1299 8.3420 115.2831 61.6584 62.7335 176.1623 36 Y 4.0666 8.0859 122.1711 60.8269 38.6298 178.2847 37 R 3.7555 8.2864 119.0960 59.2255 30.1506 179.1699 38 I 3.7068 7.9464 119.6390 64.4095 37.0868 178.6589 39 K 4.2313 8.0484 120.6538 58.7796 31.8123 179.3666 40 K 3.8232 7.8107 119.9469 59.3324 32.0647 178.9592 41 L 4.0559 7.9067 119.3779 57.5812 41.5724 179.4392 42 E 4.1879 8.0686 119.9710 58.8261 29.2757 179.3653 43 K 4.0656 8.0872 117.5719 59.5286 32.2529 178.4407 44 D 4.6154 8.3264 116.3179 54.4389 40.9214 177.4276 45 G 3.9051 7.8024 108.0836 45.5400 0.0000 175.0952 46 V 3.5346 7.8378 120.1803 65.2349 31.5188 176.2382 47 I 4.0707 7.4430 122.7442 59.7667 37.1064 176.2061 48 K 4.0735 8.3527 125.1482 56.1962 32.5865 176.9485 49 G 3.6936 6.1969 105.4004 45.7373 0.0000 170.9061 50 Y 4.4217 8.0190 115.7280 56.2415 41.1001 174.7477 51 Y 5.1110 8.2997 120.9229 56.0336 41.5987 174.6622 52 A 4.4404 8.5418 124.9755 51.2513 19.9900 176.7386 53 Y 4.5351 8.5914 124.4345 56.7191 38.5226 174.4531 54 I 3.9679 7.8281 128.5224 59.3243 38.8073 175.3760 55 N 4.0424 8.1948 123.3649 52.7371 38.8494 173.4464 56 P 4.2117 0.0000 0.0000 65.6682 31.2843 178.4246 57 A 4.0222 8.0387 119.1757 55.2076 18.1279 179.6222 58 S 4.2739 7.9371 112.7302 60.8401 62.8358 175.8308 59 L 4.5090 7.6721 119.0435 53.4666 42.0055 175.7650 60 N 4.3091 8.3392 115.8410 54.4557 36.6799 174.3466 61 L 5.1357 7.7423 119.7145 54.4048 39.3512 176.4021 62 D 4.6269 8.4582 119.8192 54.4441 42.6778 175.9941 63 Y 4.1292 8.6001 121.8132 55.9972 39.0898 172.9262 64 I 4.8021 7.6692 125.8325 59.4154 39.6557 174.9793 65 V 4.8086 8.5091 119.1963 59.5584 36.4257 174.9970 66 I 4.5869 8.5568 122.9768 60.1712 40.3881 174.3527 67 T 5.1133 9.0501 125.1410 61.9647 70.8007 174.1600 68 S 5.1975 9.3078 123.0979 57.3689 65.1937 173.3089 69 V 4.8965 9.1116 124.1126 61.1184 34.4750 174.0746 70 K 5.1137 9.2603 127.4723 54.9962 33.8907 175.8991 71 A 5.0747 9.5381 127.4286 50.6109 21.3128 176.4588 72 K 4.3656 8.7952 119.6078 55.0992 32.6864 177.1706 73 Y 3.7335 8.8209 123.6618 58.0724 38.7888 175.6069 74 G 4.0330 8.2589 110.1093 44.6048 0.0000 172.5780 75 K 4.1048 8.8715 120.8789 57.9110 32.5793 175.8844 76 N 4.2963 9.0423 122.8511 54.3640 36.4847 176.0705 77 Y 4.2267 7.8747 119.2870 60.3107 38.0192 176.9218 78 H 3.7981 7.0185 116.6107 58.2095 28.2111 177.7001 79 V 3.3884 6.9971 120.2224 65.4874 31.4998 177.7465 80 E 3.8740 7.8455 117.9433 59.4237 29.3588 179.2129 81 L 4.0006 8.5608 120.8670 57.8235 42.1623 178.9915 82 G 3.2835 7.6736 105.2384 47.9496 0.0000 175.4513 83 N 4.3476 8.2303 119.1197 55.7613 38.2606 177.7904 84 K 3.9811 7.5763 119.0077 59.2866 32.2543 179.1217 85 L 4.0633 7.9591 119.2274 57.6072 41.3114 179.3444 86 A 4.0618 7.9237 120.0587 54.4264 18.3577 178.6246 87 Q 4.3448 7.4147 113.3123 55.6050 29.5557 175.9664 88 I 4.0119 7.2219 123.9803 60.2906 37.7581 173.7803 89 P 4.5463 0.0000 0.0000 64.3577 31.8815 176.3021 90 G 3.7576 9.1742 110.6423 45.1587 0.0000 173.1078 91 V 4.3342 7.5599 120.0844 61.9612 31.6966 175.2530 92 W 4.8189 8.4875 124.2613 56.4227 30.0846 176.3497 93 G 3.7876 7.1980 107.7019 44.2549 0.0000 171.7733 94 V 4.8439 7.6936 123.2837 61.3245 34.5185 173.7957 95 Y 4.9201 9.1904 125.7801 56.1249 41.2400 174.5297 96 F 4.8366 9.1731 126.9379 57.6922 40.0544 174.8426 97 V 4.3677 8.2265 119.1079 59.3844 35.4040 174.9932 98 L 4.3065 9.3891 121.5716 53.2533 43.4157 177.4340 99 G 3.7912 8.3061 108.3211 44.3699 0.0000 173.3149 100 D 4.5158 8.4524 119.4124 55.8625 40.9822 175.7054 101 N 5.2371 7.5164 115.0221 51.5791 42.1932 173.5343 102 D 4.8588 9.2599 118.7440 55.0380 43.5063 176.6798 103 F 6.1693 8.1315 115.0856 54.7378 43.9581 173.7413 104 I 5.0907 8.7555 121.4928 59.6058 40.5213 174.4295 105 V 4.8137 9.2984 126.9723 61.3300 34.4647 173.8455 106 M 4.8280 8.5984 127.4133 53.4963 34.0716 174.9484 107 A 5.0228 8.4235 123.8753 50.6279 23.5072 174.8706 108 R 5.0337 8.1844 117.2207 54.8768 34.0551 174.5525 109 Y 4.8648 8.8657 119.1021 56.6615 42.6410 176.4725 110 K 4.8254 10.6071 121.3476 58.6483 32.6343 177.9739 111 T 4.7675 7.6412 107.2639 58.8924 73.1930 174.5385 112 R 2.6130 8.1277 120.1894 59.2353 29.8979 178.1681 113 E 3.8587 7.9284 117.7863 59.3800 29.5376 178.7987 114 E 3.8442 8.0129 119.0578 59.0651 29.6848 178.5642 115 F 3.2992 8.1252 120.7879 61.1486 39.4418 176.7811 116 M 3.5359 7.9542 117.8140 58.4027 31.8362 177.8219 117 E 3.9163 7.8511 117.9918 59.4290 29.9875 178.6256 118 K 4.1100 8.0872 117.4140 58.7098 32.3491 177.5244 119 F 4.5318 7.7115 118.9987 59.5163 40.4944 177.2854 120 L 3.6381 7.1384 117.4214 58.1081 41.4477 179.6910 121 E 3.9529 8.2202 116.5051 58.7636 29.5499 179.4040 122 R 4.0195 7.5606 118.0521 58.9459 30.4924 178.7011 123 V 3.3954 7.5755 118.5456 66.0228 31.2129 177.8570 124 M 4.0980 7.7835 115.7906 57.5144 31.0043 177.6154 125 S 4.6135 7.4409 112.7912 57.3900 64.0953 174.0744 126 I 3.9017 7.1807 125.7104 60.4298 37.1014 174.9912 127 P 4.2595 0.0000 0.0000 65.7024 31.4670 177.3507 128 E 4.1837 8.1095 115.4520 57.3311 29.8204 175.8456 129 V 4.2191 7.5067 120.4305 62.3637 31.8856 175.1437 130 E 4.3744 9.2186 130.3711 57.7946 30.2041 175.9118 131 R 4.6421 7.4053 113.2621 56.0211 32.2954 172.6478 132 T 5.2472 8.4889 108.6813 60.2002 72.6761 173.1938 133 S 4.6380 9.2625 116.5959 57.1311 65.5555 172.4975 134 T 4.9184 8.8145 124.0996 62.2570 70.2449 174.0634 135 Q 4.5226 9.0340 126.4176 54.2078 30.5882 175.1151 136 V 3.9201 8.2656 125.0914 62.3528 32.5529 175.4746 137 V 3.8080 8.3687 129.1435 62.3335 31.1143 175.9775 138 V 3.7454 8.4770 128.7899 65.0673 31.9062 176.2934 139 K 4.4220 7.5453 118.8963 54.9626 34.9322 174.8443 140 I 4.2138 8.2484 127.4035 60.2925 37.1874 175.7088 141 I 3.9733 8.3972 127.4994 63.6694 37.4266 176.8219 142 K 4.5981 7.6213 118.2337 55.4437 34.8719 175.6350 143 E 4.7051 8.2754 125.3775 55.5543 31.1530 174.2977 144 S 4.6278 7.8605 122.4271 55.6656 63.5099 173.5100 145 P 4.4000 0.0000 0.0000 64.9559 31.7163 178.3078 146 N 4.1945 7.7970 115.8217 55.0808 37.4368 174.9648 147 I 3.7049 7.2704 120.0637 60.7000 36.3964 175.6355 148 V 4.2229 8.5107 119.1248 60.8306 33.2467 176.2374 149 I 4.4474 7.6158 119.7271 59.4657 38.6706 175.3750 150 F 4.2721 9.0596 123.3275 57.5810 38.9372 176.0124 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 8.53 5.25 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 2 D 8.05 4.54 0.00 2.92 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 3 E 9.69 3.96 0.00 2.03 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 2.39 2.36 0.00 4 I 7.82 3.75 2.06 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 1.66 0.89 0.94 0.00 0.00 5 D 8.62 4.40 0.00 2.84 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 6 L 7.85 4.03 0.00 1.92 1.73 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.99 3.95 0.00 2.07 2.00 0.00 3.52 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 8 I 7.86 3.85 2.05 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 1.56 0.77 0.95 0.00 0.00 9 L 8.27 3.97 0.00 1.79 1.68 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.17 3.99 0.00 1.91 2.00 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.53 7.81 11 I 7.34 4.06 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.63 0.95 0.00 0.00 12 L 8.17 4.26 0.00 1.71 1.81 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.04 3.96 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.26 1.43 0.00 14 Y 7.18 4.72 0.00 3.19 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 15 N 8.37 4.72 0.00 2.69 2.55 0.00 0.00 7.14 7.69 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 16 A 8.60 4.46 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 17 K 8.09 4.36 0.00 1.99 1.89 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 18 Y 7.54 4.40 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 19 S 8.09 4.28 0.00 3.99 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 20 L 8.31 3.95 0.00 1.67 1.73 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.91 4.32 0.00 2.58 2.65 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 0.00 22 E 7.80 3.79 0.00 1.16 1.12 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 2.09 2.06 0.00 23 I 7.63 3.83 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.96 0.99 0.00 0.00 24 A 8.33 3.99 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 25 R 7.80 3.85 0.00 1.91 2.12 0.00 3.26 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 26 E 8.05 4.12 0.00 2.26 2.19 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 2.37 2.37 0.00 27 I 7.94 4.03 1.90 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 1.75 0.76 0.95 0.00 0.00 28 R 8.03 3.80 0.00 1.99 2.01 0.00 3.27 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 29 I 7.04 4.63 1.89 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 1.44 0.61 0.98 0.00 0.00 30 P 0.00 4.35 0.00 2.18 2.01 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 31 K 8.67 3.93 0.00 1.81 1.80 0.00 1.70 0.00 0.00 2.03 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 32 S 8.00 4.14 0.00 4.09 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 33 T 7.87 3.98 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 34 L 8.14 3.97 0.00 1.85 1.89 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.34 4.13 0.00 4.08 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 36 Y 8.09 4.07 0.00 3.11 3.19 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 37 R 8.29 3.76 0.00 2.07 1.96 0.00 3.25 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 38 I 7.95 3.71 2.01 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 1.56 0.75 0.98 0.00 0.00 39 K 8.05 4.23 0.00 1.84 1.81 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.56 7.81 40 K 7.81 3.82 0.00 1.35 1.66 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.35 7.81 41 L 7.91 4.06 0.00 1.88 1.65 0.90 0.74 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 42 E 8.07 4.19 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 2.35 2.55 0.00 43 K 8.09 4.07 0.00 1.79 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.60 7.81 44 D 8.33 4.62 0.00 2.62 2.68 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 45 G 7.80 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 46 V 7.84 3.53 2.15 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 0.75 0.00 0.00 0.90 0.00 0.00 47 I 7.44 4.07 1.73 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 1.26 0.59 0.37 0.00 0.00 48 K 8.35 4.07 0.00 1.64 1.82 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.35 7.81 49 G 6.20 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 50 Y 8.02 4.42 0.00 2.91 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.30 5.11 0.00 2.92 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 A 8.54 4.44 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 53 Y 8.59 4.54 0.00 2.84 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 54 I 7.83 3.97 1.75 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 1.23 0.81 0.80 0.00 0.00 55 N 8.19 4.04 0.00 2.58 2.58 0.00 0.00 7.21 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 56 P 0.00 4.21 0.00 2.16 2.06 0.00 3.56 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 2.08 2.07 0.00 57 A 8.04 4.02 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 58 S 7.94 4.27 0.00 3.93 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 59 L 7.67 4.51 0.00 1.71 1.67 0.88 0.99 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 60 N 8.34 4.31 0.00 2.93 2.91 0.00 0.00 7.03 6.46 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 61 L 7.74 5.14 0.00 1.66 1.64 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.46 4.63 0.00 2.64 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 63 Y 8.60 4.13 0.00 3.19 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 64 I 7.67 4.80 1.80 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 1.31 0.87 0.95 0.00 0.00 65 V 8.51 4.81 1.91 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 0.09 0.00 0.00 0.74 0.00 0.00 66 I 8.56 4.59 1.86 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 1.19 0.78 0.91 0.00 0.00 67 T 9.05 5.11 4.51 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 1.50 0.00 0.00 68 S 9.31 5.20 0.00 3.80 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 69 V 9.11 4.90 2.42 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 1.13 0.00 0.00 1.09 0.00 0.00 70 K 9.26 5.11 0.00 1.89 1.75 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.52 7.81 71 A 9.54 5.07 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 72 K 8.80 4.37 0.00 1.61 1.78 0.00 1.92 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.41 7.81 73 Y 8.82 3.73 0.00 2.73 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 74 G 8.26 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 75 K 8.87 4.10 0.00 1.74 1.79 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.55 7.81 76 N 9.04 4.30 0.00 2.97 2.81 0.00 0.00 6.89 7.48 0.00 0.00 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 Y 7.87 4.23 0.00 3.30 3.40 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 0.00 78 H 7.02 3.80 0.00 1.48 1.56 0.00 5.45 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.00 3.39 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 1.02 0.00 0.00 0.53 0.00 0.00 80 E 7.85 3.87 0.00 2.10 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 2.29 2.57 0.00 81 L 8.56 4.00 0.00 1.82 1.94 0.83 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.67 3.28 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 0.00 83 N 8.23 4.35 0.00 2.72 2.82 0.00 0.00 7.08 7.00 0.00 0.00 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 K 7.58 3.98 0.00 1.75 1.79 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.60 7.81 85 L 7.96 4.06 0.00 1.65 1.64 0.44 0.48 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 86 A 7.92 4.06 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 87 Q 7.41 4.34 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 88 I 7.22 4.01 2.13 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 1.30 0.80 1.17 0.00 0.00 89 P 0.00 4.55 0.00 2.18 2.09 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 90 G 9.17 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 0.00 0.00 0.00 91 V 7.56 4.33 2.30 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 0.84 0.00 0.00 1.20 0.00 0.00 92 W 8.49 4.82 0.00 3.36 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 93 G 7.20 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 0.00 0.00 0.00 94 V 7.69 4.84 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 0.87 0.00 0.00 0.87 0.00 0.00 95 Y 9.19 4.92 0.00 2.95 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 96 F 9.17 4.84 0.00 2.90 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 97 V 8.23 4.37 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 0.81 0.00 0.00 0.94 0.00 0.00 98 L 9.39 4.31 0.00 1.52 1.49 0.84 0.69 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 99 G 8.31 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 0.00 0.00 0.00 100 D 8.45 4.52 0.00 2.69 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 0.00 101 N 7.52 5.24 0.00 2.84 2.77 0.00 0.00 6.83 7.94 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 0.00 102 D 9.26 4.86 0.00 2.81 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 0.00 103 F 8.13 6.17 0.00 3.06 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 0.00 104 I 8.76 5.09 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.10 0.96 0.00 0.00 105 V 9.30 4.81 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 1.13 0.00 0.00 1.05 0.00 0.00 106 M 8.60 4.83 0.00 0.70 0.57 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 1.96 2.41 0.00 107 A 8.42 5.02 0.98 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 0.00 108 R 8.18 5.03 0.00 1.56 1.75 0.00 3.11 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 109 Y 8.87 4.86 0.00 3.05 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 0.00 110 K 10.61 4.83 0.00 1.85 1.93 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.78 1.50 7.81 111 T 7.64 4.77 4.21 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 1.25 0.00 0.00 112 R 8.13 2.61 0.00 1.62 1.82 0.00 3.23 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 113 E 7.93 3.86 0.00 2.05 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 2.37 2.39 0.00 114 E 8.01 3.84 0.00 2.10 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 0.00 2.39 2.37 0.00 115 F 8.13 3.30 0.00 2.98 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 0.00 116 M 7.95 3.54 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 117 E 7.85 3.92 0.00 1.91 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 2.26 2.29 0.00 118 K 8.09 4.11 0.00 1.58 1.93 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 119 F 7.71 4.53 0.00 2.99 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 0.00 120 L 7.14 3.64 0.00 1.61 1.50 0.72 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.22 3.95 0.00 2.02 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 2.26 2.29 0.00 122 R 7.56 4.02 0.00 1.83 1.84 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 123 V 7.58 3.40 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 0.86 0.00 0.00 0.04 0.00 0.00 124 M 7.78 4.10 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 125 S 7.44 4.61 0.00 3.99 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 0.00 126 I 7.18 3.90 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.90 0.00 0.00 127 P 0.00 4.26 0.00 2.03 2.12 0.00 3.65 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 2.02 2.10 0.00 128 E 8.11 4.18 0.00 2.11 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 2.48 2.41 0.00 129 V 7.51 4.22 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 0.72 0.00 0.00 0.90 0.00 0.00 130 E 9.22 4.37 0.00 1.98 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 2.27 2.29 0.00 131 R 7.41 4.64 0.00 1.88 1.98 0.00 2.97 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 132 T 8.49 5.25 4.46 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 1.26 0.00 0.00 133 S 9.26 4.64 0.00 3.90 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 0.00 134 T 8.81 4.92 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 1.34 0.00 0.00 135 Q 9.03 4.52 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 136 V 8.27 3.92 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 0.36 0.00 0.00 0.78 0.00 0.00 137 V 8.37 3.81 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 0.76 0.00 0.00 0.93 0.00 0.00 138 V 8.48 3.75 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 0.79 0.00 0.00 0.89 0.00 0.00 139 K 7.55 4.42 0.00 1.69 1.60 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.46 7.81 140 I 8.25 4.21 1.89 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 1.45 0.70 0.97 0.00 0.00 141 I 8.40 3.97 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 1.31 0.74 0.92 0.00 0.00 142 K 7.62 4.60 0.00 1.69 1.65 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.45 7.81 143 E 8.28 4.71 0.00 1.95 1.80 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 2.10 2.35 0.00 144 S 7.86 4.63 0.00 3.79 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 0.00 145 P 0.00 4.40 0.00 2.16 2.21 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 146 N 7.80 4.19 0.00 2.74 2.82 0.00 0.00 6.09 7.81 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 0.00 147 I 7.27 3.70 1.40 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.48 -0.05 0.00 0.00 148 V 8.51 4.22 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 0.66 0.00 0.00 0.88 0.00 0.00 149 I 7.62 4.45 1.81 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 1.42 0.57 0.94 0.00 0.00 150 F 9.06 4.27 0.00 2.99 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