NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4102 8.2893 120.3486 55.3839 33.0812 174.6947 2 N 4.6843 8.5789 124.0077 51.3895 38.9988 172.9746 3 I 4.6300 8.7711 120.9435 59.6086 42.0446 176.2090 4 I 4.3935 8.3217 123.5137 59.5723 38.7942 175.2206 5 K 4.4282 8.6409 124.8480 54.4220 34.0468 176.2032 6 A 4.5200 8.4060 126.6475 50.8940 20.6259 174.9783 7 N 5.0389 8.1913 116.8183 51.9806 41.4631 175.5444 8 V 3.9141 8.1558 113.8501 62.5443 32.3119 176.8378 9 A 4.2462 8.0730 123.6555 52.0989 18.5865 178.0240 10 A 4.6155 8.3062 123.5775 51.2651 21.2406 174.0010 11 P 4.7106 0.0000 0.0000 64.8819 32.2071 178.6824 12 D 4.7807 8.0714 115.9682 54.2731 40.5401 175.7796 13 A 4.6328 7.6000 124.6919 51.7948 20.3237 178.3616 14 R 4.8097 9.4341 120.6273 55.1324 32.7236 175.8628 15 V 4.9363 8.8657 124.4600 60.0028 34.7578 173.9871 16 A 4.8928 8.4977 128.4535 50.0569 21.5834 175.1601 17 I 4.8252 8.6947 123.6332 59.5300 39.6288 174.6745 18 T 4.7904 8.6305 117.7907 59.9576 70.8080 173.3708 19 I 5.2352 8.2941 126.4886 58.2162 40.6730 174.4300 20 A 5.0532 8.4172 127.6751 51.1228 19.2838 177.9455 21 R 4.4004 9.3854 119.9544 58.6198 30.1809 177.0648 22 F 4.6076 8.1985 121.0312 60.0529 39.6747 174.3588 23 N 4.6696 9.8647 123.8117 54.5107 35.5826 176.0842 24 Q 4.1721 8.3833 120.4299 59.4704 28.0386 177.9825 25 F 3.8386 8.4970 121.4912 61.1529 39.4326 176.3975 26 I 4.1998 8.2128 118.5101 63.7097 37.7077 177.7228 27 N 4.3578 8.2920 116.6641 56.3545 38.2741 176.8975 28 D 4.5785 8.7984 120.8752 57.6735 40.9960 178.8703 29 S 4.0757 7.9640 112.9316 60.9869 62.4144 175.4483 30 L 4.0411 7.8427 123.2930 58.6496 41.6714 178.3027 31 L 3.8535 8.4935 120.5167 57.7236 41.9049 178.6018 32 D 4.5102 8.5037 118.5399 57.3411 40.9000 179.7837 33 G 3.5843 8.1018 105.7701 47.7627 0.0000 175.3138 34 A 3.9436 7.8933 123.3620 54.6950 18.4766 179.4040 35 V 3.4373 7.9528 116.7894 66.2633 31.5794 177.3468 36 D 4.3085 8.2067 117.2989 57.7001 40.9281 177.7274 37 A 3.9097 8.1965 120.9552 55.7952 18.3325 179.0326 38 L 3.8756 8.5544 116.5615 59.2430 41.8785 179.8366 39 T 4.1760 8.2446 110.8785 64.0107 68.5993 176.2347 40 R 3.8569 8.1253 123.7810 58.3290 30.6464 178.0196 41 I 4.0649 8.0841 117.2501 63.5361 37.7818 177.0977 42 G 3.7614 7.9506 106.5817 45.1146 0.0000 173.9152 43 Q 3.6654 8.2280 119.6735 56.4970 27.8409 172.8817 44 V 3.8518 7.5218 116.7905 61.9996 32.1774 175.1856 45 K 4.3679 8.5550 128.7804 56.2239 32.6396 176.5577 46 D 4.6852 8.7884 124.4295 53.9712 39.1822 176.1714 47 D 4.8033 7.9946 117.0939 53.7370 40.1061 176.3126 48 N 4.7223 8.4520 117.7632 53.6643 39.4159 174.1438 49 I 4.9129 7.6007 120.2506 60.4047 38.3364 175.2317 50 T 4.7139 8.8816 117.3953 59.7031 71.9177 172.9787 51 V 4.6140 8.4175 123.7171 61.0476 34.1076 174.5724 52 V 4.3018 8.9890 128.7869 60.7433 33.7360 174.5290 53 W 4.8283 8.9840 129.1224 56.6946 29.4540 176.5065 54 V 4.4028 8.6905 119.1388 59.0920 33.7218 174.9279 55 P 4.3233 0.0000 0.0000 65.1693 31.4713 176.9014 56 G 4.5219 7.9761 108.5031 42.6802 0.0000 174.0437 57 A 4.0977 8.4764 120.5940 54.8305 18.0807 179.2848 58 Y 4.2092 8.1364 117.0258 60.5343 39.2807 177.2601 59 E 4.1356 8.2855 118.8847 58.0406 29.6405 178.6296 60 L 3.8709 7.5241 119.4251 58.1295 41.6017 176.9950 61 P 4.1661 0.0000 0.0000 64.8215 31.1103 177.9527 62 L 3.8846 7.7131 117.9129 58.4855 42.3273 179.3556 63 A 3.9801 7.8200 120.1230 55.6072 18.3077 179.8296 64 T 3.8170 8.1464 108.4227 64.6316 68.6980 175.9802 65 E 3.8427 8.9847 122.9450 59.1631 29.5974 178.3545 66 A 4.0028 8.0713 120.4849 55.6100 18.2240 179.6158 67 L 4.0822 7.5799 114.8285 57.9087 41.9752 179.4888 68 A 4.2184 8.4094 121.0430 55.1628 18.1936 179.8350 69 K 3.9473 8.1705 116.1707 59.6200 32.1464 179.0729 70 S 4.2014 8.1650 112.8933 59.3541 61.3026 175.8389 71 G 3.9398 8.4915 110.3501 46.3799 0.0000 176.0779 72 K 3.8685 7.7512 120.5384 56.3029 31.8448 182.0867 73 Y 5.1246 6.9613 113.7558 56.9404 40.6453 175.4144 74 D 4.7507 9.1183 121.7026 55.6606 41.8982 176.5124 75 A 4.5387 7.3134 117.5113 51.2412 22.4882 175.0921 76 V 4.7455 8.1495 120.0925 61.0331 34.5965 174.4820 77 V 4.3612 8.7709 128.3488 61.5065 33.2952 174.2025 78 A 4.8964 8.5577 130.3948 49.8076 20.6728 175.3058 79 L 5.2176 7.9741 123.1421 52.7002 44.3942 176.3860 80 G 4.2039 7.7429 108.3695 45.9034 0.0000 171.8808 81 T 5.0930 8.5445 116.2390 61.4977 71.9138 174.3278 82 V 4.2132 9.0049 125.1386 61.3489 34.1415 173.8517 83 I 4.7154 8.1920 128.7197 59.5835 38.6450 175.9883 84 R 3.6521 8.4307 127.9162 56.5814 30.2850 176.2816 85 G 4.4313 8.3370 116.2029 44.2177 0.0000 172.8589 86 G 3.6358 8.7830 107.5885 47.5056 0.0000 173.3728 87 T 4.5172 7.5970 108.3715 59.7332 71.4940 173.5188 88 A 4.4778 8.3614 121.3235 52.7227 18.8827 178.6565 89 H 4.2860 8.2786 120.4311 60.2766 29.8196 176.9116 90 F 4.0450 8.4793 121.9629 61.5036 38.9911 176.6068 91 E 3.6248 7.9900 118.4294 59.5650 29.3813 178.4262 92 Y 4.3213 7.3865 115.9028 60.8221 38.2010 177.4996 93 V 3.6833 7.6842 119.2854 65.7353 31.6275 177.7088 94 A 4.0671 7.8564 120.1163 55.2386 18.1268 179.7580 95 G 3.6011 8.1268 104.5099 47.8174 0.0000 176.1149 96 G 3.8909 8.6082 108.3262 45.8802 0.0000 174.8216 97 A 4.2646 7.8689 122.7419 54.3499 19.6704 179.1839 98 S 4.1381 8.1981 111.6767 61.7969 62.3687 176.2532 99 N 4.4263 8.4264 119.2853 55.9849 38.3387 177.4032 100 G 3.7476 7.7067 106.6786 48.0747 0.0000 175.5291 101 L 3.9926 7.9749 121.7114 57.2554 41.7134 179.5516 102 A 3.9909 8.0799 120.6214 55.0795 18.2492 179.5771 103 S 3.9433 8.3487 111.8015 61.5197 62.4628 176.1566 104 V 3.5472 7.7442 120.7429 66.3184 31.1308 177.7948 105 A 4.2609 7.8285 121.1301 54.7901 17.9925 179.4377 106 Q 3.9062 7.6286 116.5375 59.1220 29.1526 177.7744 107 D 4.5225 8.0591 119.5250 57.0606 41.2431 178.5160 108 S 4.3440 8.3318 113.0238 58.7575 63.4359 175.5497 109 G 3.8841 8.0768 109.4461 45.6893 0.0000 173.7029 110 V 3.9725 7.5223 121.0260 61.6292 33.0635 173.6104 111 P 4.4775 0.0000 0.0000 62.6041 32.5472 175.1974 112 V 4.9450 8.3795 123.3088 61.0331 34.1726 174.1958 113 A 4.4730 8.8351 130.1785 50.8897 20.5152 176.1862 114 F 4.8496 9.0093 126.6906 56.2296 38.4904 175.9582 115 G 3.9534 8.1349 118.6193 44.9671 0.0000 170.9875 116 V 4.6323 6.1636 117.6115 60.5744 33.8323 176.0593 117 L 4.2648 8.7869 129.4724 55.1009 42.7824 176.6271 118 T 5.0828 8.7066 112.5753 58.8137 68.8326 172.6195 119 T 4.5841 8.1336 121.0419 61.0820 72.0350 175.1398 120 E 4.1263 9.8115 120.6617 57.3431 30.4395 177.2324 121 S 4.7191 7.5890 111.9872 55.5808 67.6532 174.8113 122 I 3.6839 8.2155 123.0694 64.2713 36.7211 177.9707 123 E 3.9203 8.2536 119.8425 59.7789 29.1137 179.0077 124 Q 4.1615 7.8459 115.9474 58.7661 29.0373 178.1887 125 A 4.1676 7.7820 121.9429 55.4609 18.3275 179.7291 126 I 3.7561 7.8717 118.1358 64.6766 37.1173 178.5491 127 E 4.5462 8.0350 120.4071 58.0365 29.3001 178.4012 128 R 4.5451 7.9881 115.8800 55.6522 30.6050 176.6412 129 A 4.7529 7.2275 121.9377 52.6938 19.5137 177.0919 130 G 4.4572 8.0278 107.9617 48.1190 0.0000 175.3982 131 T 4.5982 7.5415 115.1032 60.0480 68.8660 175.7403 132 K 3.7962 9.2107 117.1219 59.3815 31.7890 177.9111 133 A 4.5421 7.8193 119.2457 52.1095 19.9185 178.9705 134 G 3.7379 8.1191 110.6670 47.2430 0.0000 173.7052 135 N 5.2852 8.2554 118.3065 51.0624 41.0380 175.6667 136 K 4.0080 8.8719 129.1367 59.1514 32.0587 179.1738 137 G 4.0752 8.2459 107.6478 47.3411 0.0000 175.5174 138 A 4.0414 7.9065 123.3441 54.4369 18.4114 179.2245 139 E 3.8420 8.4980 117.8449 59.3467 29.7257 178.9303 140 A 4.0479 8.5558 122.4172 54.3641 18.4683 179.3749 141 A 3.8841 8.1549 119.4343 55.3181 18.4153 179.8840 142 L 3.9117 8.0742 117.6854 58.2557 41.2496 179.8543 143 T 3.8807 8.1133 109.4280 64.6635 68.3913 176.1480 144 A 3.9693 7.8869 123.5753 55.1015 18.3676 179.1488 145 L 3.8893 7.7644 117.0360 58.2199 41.7185 179.2805 146 E 4.1896 8.4530 120.4602 59.0704 29.3982 178.9623 147 M 4.0322 8.1573 118.3523 58.3404 31.9354 178.3838 148 I 3.6975 7.7973 119.9879 64.8540 37.2789 178.1285 149 N 4.3085 7.9558 116.5312 56.2600 38.1726 177.4907 150 V 3.5752 7.8027 118.7890 66.1645 31.7503 177.9077 151 L 4.0803 8.3273 118.7415 57.8072 41.3986 179.1648 152 K 3.8268 8.0645 118.3925 59.4732 32.0742 176.7378 153 A 4.4945 7.9820 120.2884 51.7851 19.6079 177.2183 154 I 3.8820 7.8311 121.0027 63.1665 37.7377 173.9572 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.68 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.77 4.63 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.39 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 5 K 8.64 4.43 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.41 4.52 1.24 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 0.00 0.00 7 N 8.19 5.04 0.00 2.73 2.65 0.00 0.00 6.85 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 8 V 8.16 3.91 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.07 4.25 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 10 A 8.31 4.62 1.26 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 0.00 0.00 11 P 0.00 4.71 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.07 4.78 0.00 2.69 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 13 A 7.60 4.63 1.27 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 0.00 0.00 0.00 14 R 9.43 4.81 0.00 1.42 1.78 0.00 3.22 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.87 4.94 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 0.88 0.00 0.00 0.95 0.00 0.00 16 A 8.50 4.89 0.25 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 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.69 4.83 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.72 0.00 0.00 18 T 8.63 4.79 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 1.09 0.00 0.00 19 I 8.29 5.24 0.75 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.07 0.43 0.00 0.00 20 A 8.42 5.05 1.33 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 0.00 0.00 0.00 21 R 9.39 4.40 0.00 2.08 2.51 0.00 2.87 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 22 F 8.20 4.61 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.86 4.67 0.00 2.98 3.00 0.00 0.00 6.87 8.00 0.00 0.00 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 Q 8.38 4.17 0.00 2.51 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.50 3.84 0.00 3.14 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 26 I 8.21 4.20 2.11 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 1.67 0.92 0.95 0.00 0.00 27 N 8.29 4.36 0.00 2.87 2.92 0.00 0.00 7.08 8.08 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 28 D 8.80 4.58 0.00 2.66 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 29 S 7.96 4.08 0.00 3.81 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 30 L 7.84 4.04 0.00 1.92 1.63 0.97 0.46 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 31 L 8.49 3.85 0.00 1.75 1.79 0.77 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.50 4.51 0.00 2.86 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 33 G 8.10 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 34 A 7.89 3.94 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.95 3.44 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 0.98 0.00 0.00 0.94 0.00 0.00 36 D 8.21 4.31 0.00 2.82 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 37 A 8.20 3.91 1.40 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 0.00 0.00 38 L 8.55 3.88 0.00 1.84 1.73 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.24 4.18 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 1.23 0.00 0.00 40 R 8.13 3.86 0.00 1.81 2.24 0.00 3.24 0.00 0.00 3.44 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 I 8.08 4.06 2.07 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 1.23 0.96 0.91 0.00 0.00 42 G 7.95 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 43 Q 8.23 3.67 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.52 3.85 2.16 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 0.88 0.00 0.00 1.03 0.00 0.00 45 K 8.56 4.37 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.79 4.69 0.00 2.83 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 47 D 7.99 4.80 0.00 2.78 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 48 N 8.45 4.72 0.00 2.88 2.99 0.00 0.00 6.94 7.02 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 49 I 7.60 4.91 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 1.40 0.52 0.89 0.00 0.00 50 T 8.88 4.71 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 1.49 0.00 0.00 51 V 8.42 4.61 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 0.48 0.00 0.00 0.84 0.00 0.00 52 V 8.99 4.30 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.98 4.83 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 54 V 8.69 4.40 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 0.74 0.00 0.00 0.99 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.32 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.98 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.48 4.10 1.33 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 0.00 0.00 0.00 58 Y 8.14 4.21 0.00 2.92 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.29 4.14 0.00 2.01 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 2.64 2.58 0.00 60 L 7.52 3.87 0.00 1.78 1.69 0.86 0.80 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 61 P 0.00 4.17 0.00 2.02 1.84 0.00 3.65 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 2.05 2.09 0.00 62 L 7.71 3.88 0.00 1.63 1.67 0.92 0.92 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 63 A 7.82 3.98 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 64 T 8.15 3.82 4.19 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 1.21 0.00 0.00 65 E 8.98 3.84 0.00 1.98 2.18 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 2.31 2.34 0.00 66 A 8.07 4.00 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 67 L 7.58 4.08 0.00 1.76 1.66 0.62 0.83 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 68 A 8.41 4.22 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 69 K 8.17 3.95 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.60 7.81 70 S 8.17 4.20 0.00 3.92 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 0.00 71 G 8.49 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 0.00 0.00 0.00 72 K 7.75 3.87 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.96 5.12 0.00 3.09 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 74 D 9.12 4.75 0.00 2.54 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 75 A 7.31 4.54 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 76 V 8.15 4.75 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 0.91 0.00 0.00 0.85 0.00 0.00 77 V 8.77 4.36 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.56 4.90 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 79 L 7.97 5.22 0.00 1.38 1.40 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.74 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 0.00 0.00 0.00 0.00 81 T 8.54 5.09 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 1.19 0.00 0.00 82 V 9.00 4.21 2.04 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 0.87 0.00 0.00 0.86 0.00 0.00 83 I 8.19 4.72 1.85 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 1.24 0.70 0.88 0.00 0.00 84 R 8.43 3.65 0.00 0.67 1.38 0.00 3.05 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.34 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 0.00 0.00 0.00 0.00 86 G 8.78 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 0.00 0.00 0.00 0.00 87 T 7.60 4.52 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 88 A 8.36 4.48 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 89 H 8.28 4.29 0.00 3.23 3.42 0.00 5.62 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 90 F 8.48 4.04 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.99 3.62 0.00 1.96 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 2.00 2.18 0.00 92 Y 7.39 4.32 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 93 V 7.68 3.68 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 1.04 0.00 0.00 0.75 0.00 0.00 94 A 7.86 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.13 3.60 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 0.00 96 G 8.61 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 97 A 7.87 4.26 1.47 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 0.00 0.00 0.00 98 S 8.20 4.14 0.00 3.71 3.88 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 99 N 8.43 4.43 0.00 2.81 2.83 0.00 0.00 6.95 7.10 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 0.00 100 G 7.71 3.75 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 0.00 0.00 0.00 101 L 7.97 3.99 0.00 2.05 1.82 1.02 1.11 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 0.00 102 A 8.08 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 3.94 0.00 3.96 4.02 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 0.00 104 V 7.74 3.55 2.22 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 1.04 0.00 0.00 0.91 0.00 0.00 105 A 7.83 4.26 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 0.00 106 Q 7.63 3.91 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 107 D 8.06 4.52 0.00 2.69 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 0.00 108 S 8.33 4.34 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.08 3.88 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 0.00 0.00 0.00 110 V 7.52 3.97 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 1.00 0.00 0.00 1.00 0.00 0.00 111 P 0.00 4.48 0.00 2.12 1.96 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.38 4.94 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 0.81 0.00 0.00 0.97 0.00 0.00 113 A 8.84 4.47 1.26 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 0.00 0.00 114 F 9.01 4.85 0.00 2.98 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 0.00 115 G 8.13 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 0.00 0.00 0.00 116 V 6.16 4.63 1.24 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 0.67 0.00 0.00 -0.04 0.00 0.00 117 L 8.79 4.26 0.00 1.61 1.58 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.71 5.08 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 119 T 8.13 4.58 4.41 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 1.23 0.00 0.00 120 E 9.81 4.13 0.00 1.95 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 2.32 2.31 0.00 121 S 7.59 4.72 0.00 3.95 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 0.00 122 I 8.22 3.68 1.84 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 1.48 0.63 0.87 0.00 0.00 123 E 8.25 3.92 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 124 Q 7.85 4.16 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.78 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.87 3.76 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 1.88 0.91 0.99 0.00 0.00 127 E 8.03 4.55 0.00 2.23 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 2.34 2.40 0.00 128 R 7.99 4.55 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 129 A 7.23 4.75 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 0.00 130 G 8.03 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 0.00 0.00 0.00 0.00 131 T 7.54 4.60 4.25 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 0.00 0.00 0.00 1.28 0.00 0.00 132 K 9.21 3.80 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.82 4.54 1.27 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 0.00 0.00 0.00 134 G 8.12 3.74 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 0.00 0.00 0.00 135 N 8.26 5.29 0.00 2.70 2.66 0.00 0.00 6.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.87 4.01 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.25 4.08 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 0.00 0.00 0.00 138 A 7.91 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.50 3.84 0.00 2.04 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 2.31 2.33 0.00 140 A 8.56 4.05 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 0.00 141 A 8.15 3.88 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 0.00 142 L 8.07 3.91 0.00 1.98 1.72 0.91 0.53 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 0.00 143 T 8.11 3.88 4.25 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 0.00 0.00 0.00 1.29 0.00 0.00 144 A 7.89 3.97 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 0.00 145 L 7.76 3.89 0.00 1.88 1.91 0.96 0.82 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 0.00 146 E 8.45 4.19 0.00 2.00 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 2.31 2.23 0.00 147 M 8.16 4.03 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.86 0.00 148 I 7.80 3.70 2.04 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 1.68 0.87 0.92 0.00 0.00 149 N 7.96 4.31 0.00 2.91 2.86 0.00 0.00 6.73 8.99 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 0.00 150 V 7.80 3.58 2.22 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 0.83 0.00 0.00 0.94 0.00 0.00 151 L 8.33 4.08 0.00 1.93 1.69 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.06 3.83 0.00 1.84 2.09 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 7.98 4.49 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.83 3.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.91 0.00 0.00