NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.6094 8.4444 117.8523 56.0173 29.7667 172.7057 0 H 4.1924 7.6705 119.7721 55.5034 31.0501 173.2216 1 M 4.1692 8.6128 125.4237 55.1469 33.5383 175.6253 2 Y 4.4235 8.1225 119.4347 57.6131 38.9211 175.3426 3 R 4.3546 8.4758 122.6593 55.3859 31.0980 175.9784 4 I 4.1508 8.0908 126.4327 60.7033 37.7859 175.9884 5 R 4.1871 8.8840 125.6087 56.3857 30.7841 176.5605 6 V 4.7308 8.1826 114.6752 59.0841 35.3196 174.9536 7 F 4.3862 8.6472 121.0561 59.6657 38.6254 175.6203 8 G 3.9769 9.1318 110.6807 45.8431 0.0000 173.3625 9 D 4.5152 8.3480 120.9101 52.6880 41.3254 175.0745 10 P 4.2781 0.0000 0.0000 65.6947 30.7813 178.5660 11 V 3.5746 8.1067 119.1973 64.5561 31.1952 177.7541 12 L 4.1749 8.0731 118.3972 56.0542 41.3393 178.1225 13 R 4.3913 7.5801 116.6253 55.2259 31.2514 176.2892 14 K 4.2420 6.9161 116.8441 56.0155 33.3825 176.4072 15 R 4.3771 8.2054 121.9531 54.6740 30.6137 175.9089 16 A 4.3016 8.6210 129.1441 52.4064 19.3085 176.4950 17 K 4.6916 8.6626 119.4850 53.7238 34.6457 174.7466 18 P 4.8247 0.0000 0.0000 63.1165 32.0560 175.7240 19 V 3.9634 9.3758 121.8830 62.3363 32.2042 175.9359 20 T 4.4623 8.2809 115.3444 61.5182 70.7954 174.0145 21 K 4.4272 7.7325 121.2683 54.9215 33.0216 176.8317 22 F 4.3852 8.6670 125.1821 55.3645 38.0888 173.9772 23 D 5.1351 7.3972 123.8804 50.7430 42.7408 177.5292 24 E 4.0225 8.5876 117.0591 59.4710 29.1750 178.9226 25 N 4.3264 7.8836 116.1775 56.2853 38.9281 176.7565 26 L 3.7377 7.8672 121.8148 57.8278 42.1221 178.6299 27 K 3.8105 7.9725 119.1319 59.6046 32.0991 178.4068 28 K 4.2044 8.0145 120.9989 59.2134 32.0918 178.9221 29 T 4.0532 7.9128 116.1068 66.7651 68.3512 176.6857 30 I 3.8242 8.1225 122.1298 64.3719 36.5733 178.3318 31 E 3.9987 8.4858 119.6128 59.6577 29.2845 179.7103 32 R 3.9984 8.2180 117.9949 59.4795 29.9383 179.1171 33 M 4.3269 8.3568 118.6896 58.2970 31.9448 178.8726 34 I 3.4942 8.0095 120.1643 64.2640 37.2370 177.9346 35 E 4.0436 8.5700 120.5585 59.7181 29.3695 179.1517 36 T 4.0451 8.3986 116.0283 66.8307 68.5312 176.4213 37 M 4.1289 8.7912 120.9766 59.0921 32.2203 177.9406 38 Y 4.5122 8.4237 117.2503 61.4277 37.8209 177.5983 39 H 4.1202 8.4510 118.4243 59.0455 29.8187 175.7615 40 Y 4.4904 7.7498 115.5879 56.7875 38.6782 175.0754 41 D 4.4188 8.3646 118.2744 55.3389 39.1611 173.9636 42 G 4.1515 8.2642 107.0623 44.7548 0.0000 174.2283 43 V 4.5643 8.1591 109.2039 60.9740 33.9919 175.9828 44 G 4.3501 7.8737 105.7030 45.5592 0.0000 172.7888 45 L 4.6845 8.9213 123.8526 53.9875 45.7719 174.3474 46 A 4.8823 9.1981 129.6333 50.1365 21.4713 176.9808 47 A 3.4566 8.4315 123.2997 55.0552 18.1753 179.0047 48 P 4.1622 0.0000 0.0000 64.8386 31.2802 178.4858 49 Q 4.1172 8.1374 116.7022 57.3067 28.2936 177.4411 50 V 4.4368 7.3182 113.7403 60.9357 32.1747 176.7519 51 G 3.7118 7.8283 106.5967 45.7588 0.0000 174.4099 52 I 4.0746 6.9820 121.1855 59.6801 37.8912 176.1462 53 S 4.5010 8.1935 125.9293 58.4611 60.8074 172.6284 54 Q 5.1039 7.3952 117.5427 54.0659 33.1398 178.2948 55 R 4.4644 8.7508 121.8822 54.4129 28.7011 175.3980 56 F 5.2676 7.5579 116.3314 56.1399 41.7861 173.3787 57 F 5.2184 8.3731 114.0705 56.4054 41.7601 172.9677 58 V 5.1660 9.0229 111.9353 60.0905 35.5486 174.9399 59 M 5.2509 8.7378 118.8677 54.5111 35.2144 173.5712 60 D 5.0067 9.4814 119.4885 52.2370 44.1874 175.3187 61 V 4.5095 8.7010 119.0799 61.3828 31.8096 176.4601 62 G 3.9421 8.4162 111.2229 45.8581 0.0000 175.2147 63 N 4.7487 8.1506 115.3354 52.4211 39.5566 173.9427 64 G 4.2494 8.5324 105.7142 42.6319 0.0000 171.5312 65 P 4.7713 0.0000 0.0000 62.7591 32.2609 175.8091 66 V 4.4910 9.3035 122.7348 61.0532 34.3443 173.8098 67 A 4.7098 8.6925 129.8300 50.7696 20.2972 176.2186 68 V 3.8796 8.5264 123.3932 61.0233 34.0301 174.2355 69 I 4.7228 8.4705 129.1003 59.8889 39.8867 175.8703 70 N 4.3282 9.1038 124.4279 53.8245 36.5385 172.7086 71 P 5.1841 0.0000 0.0000 63.3369 33.0610 176.8185 72 E 4.9313 9.7626 120.0231 54.9649 34.1584 174.6370 73 I 4.2909 8.1822 124.5461 59.9901 37.6168 175.5332 74 L 4.2564 8.9259 129.0891 57.1347 42.2895 177.7317 75 E 4.8187 7.9361 116.0474 54.5972 34.3198 174.8206 76 I 4.8343 8.0928 122.0175 59.5039 40.5294 174.6867 77 D 4.6568 9.0921 128.4035 53.3523 41.2763 174.8662 78 P 4.3939 0.0000 0.0000 64.9401 32.1177 176.3577 79 E 4.2865 8.5335 121.0913 56.5290 30.2514 176.3182 80 T 5.1216 8.4226 113.7275 60.0912 72.3990 172.4281 81 E 4.7608 8.9813 120.7256 54.9740 33.4508 173.5828 82 V 5.0076 8.3017 124.6129 61.5476 33.8934 174.2742 83 A 4.7189 8.5437 126.9779 50.9013 23.2827 175.0234 84 E 4.8308 8.7486 118.9395 56.4360 30.6659 176.6336 85 E 4.7776 9.4193 122.4493 54.6940 33.6563 175.0636 86 G 3.7287 8.6858 112.9855 44.8095 0.0000 173.5520 88 L 4.2746 8.3203 117.6281 56.3638 42.9607 178.1626 89 S 4.3562 7.8647 112.5144 59.5415 63.5968 173.7594 90 F 5.0628 7.3909 122.6203 55.1268 39.5411 171.3087 91 P 3.9137 0.0000 0.0000 64.4908 31.5265 177.4343 92 E 4.0029 8.7575 118.9207 56.6537 27.4810 173.7600 93 I 4.4555 6.8538 120.9879 59.5823 39.0790 174.6631 94 F 5.1558 8.9944 125.3729 55.5194 42.1677 175.0008 95 V 4.6299 8.7485 121.6924 59.8463 34.9659 174.4700 96 E 4.8398 8.8575 123.3275 56.3726 30.8469 175.6458 97 I 4.8518 9.0938 125.1417 59.3757 41.3934 174.0299 98 E 4.8474 8.8552 127.4800 55.6632 30.5102 175.5498 99 R 4.8235 9.0285 125.3428 53.9848 34.6747 174.8387 100 S 4.6366 8.8501 116.4187 58.7131 62.7472 174.4089 101 K 4.3021 9.3447 125.7877 58.7320 33.3259 176.9728 102 R 5.2216 7.9135 119.0416 54.6941 33.7269 174.0704 103 I 5.0798 8.8720 118.3312 59.2229 41.9825 173.4427 104 K 4.8536 8.7353 124.2083 54.8144 34.6406 175.3825 105 V 4.9035 8.7586 119.8123 59.4933 36.2799 174.2949 106 K 5.2169 9.0519 122.2440 55.5493 35.9596 174.4738 107 Y 5.3555 8.7543 124.0011 56.9046 42.0403 172.7811 108 Q 5.1099 9.5933 118.3769 54.1875 32.5303 176.0491 109 N 5.0682 8.4382 119.6605 51.5708 39.4696 175.8416 110 T 4.0615 8.3588 107.2298 64.0987 68.7852 175.0783 111 R 4.1364 8.6721 120.6204 56.3192 30.4450 177.3367 112 G 2.5175 8.0092 106.5863 44.6007 0.0000 173.3655 113 E 4.1306 7.5919 119.2321 55.7948 30.8928 175.6710 114 Y 4.7113 8.3728 121.0339 57.7970 39.2967 175.1258 115 V 4.3480 9.0221 122.1517 61.1125 35.0443 173.9103 116 E 5.1230 8.4696 126.3968 54.6135 32.5851 174.7303 117 E 4.6647 8.8942 120.4618 55.7456 33.6115 173.3028 118 E 5.0295 8.6522 121.0935 54.7071 31.3592 174.8484 119 L 5.0763 8.8691 125.9351 52.9621 45.9885 175.2466 120 E 5.1640 8.4758 118.8402 53.9036 33.7938 176.9263 121 G 3.8690 9.1018 109.5915 46.0970 0.0000 175.0340 122 Y 4.2350 9.0742 120.7998 60.8998 38.4230 177.9729 123 A 3.9259 8.1968 120.5482 55.1708 18.5233 179.2310 124 A 3.9637 7.8879 119.2304 55.2089 18.3696 179.8194 125 R 3.8128 8.2149 117.3766 59.7346 30.2100 179.0333 126 V 3.4115 7.7008 118.0940 65.5793 31.3953 177.7291 127 F 3.8866 8.3211 120.5456 61.4521 39.2478 177.1257 128 Q 4.1910 8.4811 117.7862 59.1423 28.2473 178.3230 129 H 3.9862 8.1468 118.3836 59.3397 29.7407 176.8764 130 E 3.7667 7.8540 120.2342 59.1144 29.0930 178.9677 131 F 4.0411 8.0661 120.8686 61.5473 39.3620 176.6234 132 D 4.2708 8.4102 118.6704 57.9674 40.5754 178.6490 133 H 4.0088 7.7360 116.1187 58.8864 28.6237 177.4933 134 L 4.0776 7.7677 119.5870 56.2746 41.1662 177.9288 135 N 4.7108 7.6256 114.9140 52.4852 39.0845 175.1940 136 G 4.2020 7.8425 106.1496 45.0076 0.0000 173.4441 137 V 4.2362 7.4099 118.3758 60.6968 33.0112 175.0372 138 L 4.6091 9.0963 127.1063 52.1879 44.6614 177.5175 139 I 3.6341 8.1737 113.7808 63.9349 37.4223 178.2161 140 I 3.9039 7.6159 113.0137 63.0393 37.6221 176.5119 141 D 4.4631 8.0255 120.5011 55.8417 40.9137 177.1872 142 R 4.5250 7.5877 116.7679 55.4583 30.6085 175.5145 143 I 3.9893 7.8911 118.7875 61.7710 38.1663 175.6324 144 S 4.4940 8.8123 124.9811 57.1732 63.9473 172.4463 145 P 4.5061 0.0000 0.0000 63.2728 30.5971 176.0142 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 H 8.44 4.61 0.00 3.08 3.59 0.00 5.87 0.00 0.00 0.00 0.00 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 H 7.67 4.19 0.00 3.10 3.12 0.00 5.92 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.61 4.17 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 2 Y 8.12 4.42 0.00 3.04 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 3 R 8.48 4.35 0.00 1.84 1.89 0.00 3.25 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 4 I 8.09 4.15 1.60 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.42 0.76 0.00 0.00 5 R 8.88 4.19 0.00 1.61 1.94 0.00 3.26 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 6 V 8.18 4.73 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 0.85 0.00 0.00 0.97 0.00 0.00 7 F 8.65 4.39 0.00 2.59 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 8 G 9.13 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 0.00 0.00 0.00 9 D 8.35 4.52 0.00 2.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.25 2.27 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 11 V 8.11 3.57 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 0.86 0.00 0.00 0.85 0.00 0.00 12 L 8.07 4.17 0.00 1.69 1.62 1.02 0.56 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 13 R 7.58 4.39 0.00 1.80 1.85 0.00 3.21 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.65 0.00 14 K 6.92 4.24 0.00 1.61 1.69 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.50 7.81 15 R 8.21 4.38 0.00 1.75 1.79 0.00 3.21 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 16 A 8.62 4.30 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 17 K 8.66 4.69 0.00 1.70 1.71 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.33 7.81 18 P 0.00 4.82 0.00 2.13 2.14 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 19 V 9.38 3.96 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 -0.05 0.00 0.00 0.95 0.00 0.00 20 T 8.28 4.46 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 1.23 0.00 0.00 21 K 7.73 4.43 0.00 1.65 1.88 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.40 7.81 22 F 8.67 4.39 0.00 2.96 3.18 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 23 D 7.40 5.14 0.00 2.85 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 24 E 8.59 4.02 0.00 1.99 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 0.00 2.40 2.31 0.00 25 N 7.88 4.33 0.00 2.78 2.88 0.00 0.00 6.68 6.54 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 26 L 7.87 3.74 0.00 1.57 1.68 0.07 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.97 3.81 0.00 1.89 1.95 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.58 7.81 28 K 8.01 4.20 0.00 2.09 1.75 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.21 7.81 29 T 7.91 4.05 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 1.50 0.00 0.00 30 I 8.12 3.82 2.02 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 1.47 0.71 0.92 0.00 0.00 31 E 8.49 4.00 0.00 2.23 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 2.38 2.67 0.00 32 R 8.22 4.00 0.00 2.05 1.59 0.00 2.94 0.00 0.00 2.87 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 33 M 8.36 4.33 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.58 0.00 34 I 8.01 3.49 1.97 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 1.25 0.64 0.57 0.00 0.00 35 E 8.57 4.04 0.00 2.13 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 0.00 2.34 2.40 0.00 36 T 8.40 4.05 4.59 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 1.45 0.00 0.00 37 M 8.79 4.13 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.75 0.00 38 Y 8.42 4.51 0.00 3.10 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 39 H 8.45 4.12 0.00 3.22 3.47 0.00 5.93 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.75 4.49 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.36 4.42 0.00 2.81 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 42 G 8.26 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 43 V 8.16 4.56 2.36 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 0.90 0.00 0.00 0.97 0.00 0.00 44 G 7.87 4.35 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 0.00 45 L 8.92 4.68 0.00 1.75 1.48 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.20 4.88 1.13 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 47 A 8.43 3.46 0.21 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 48 P 0.00 4.16 0.00 2.00 2.12 0.00 3.60 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 2.09 1.85 0.00 49 Q 8.14 4.12 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 50 V 7.32 4.44 1.23 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 0.54 0.00 0.00 0.32 0.00 0.00 51 G 7.83 3.71 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 0.00 0.00 0.00 52 I 6.98 4.07 1.69 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 1.24 1.16 0.88 0.00 0.00 53 S 8.19 4.50 0.00 3.83 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 54 Q 7.40 5.10 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.43 7.24 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 55 R 8.75 4.46 0.00 1.81 1.93 0.00 3.33 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 56 F 7.56 5.27 0.00 3.02 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 57 F 8.37 5.22 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.02 5.17 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 0.84 0.00 0.00 0.97 0.00 0.00 59 M 8.74 5.25 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 60 D 9.48 5.01 0.00 2.82 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 61 V 8.70 4.51 2.29 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 0.73 0.00 0.00 1.06 0.00 0.00 62 G 8.42 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 63 N 8.15 4.75 0.00 2.79 2.90 0.00 0.00 7.10 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 64 G 8.53 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 0.00 0.00 0.00 0.00 65 P 0.00 4.77 0.00 2.07 1.96 0.00 3.86 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 2.06 2.08 0.00 66 V 9.30 4.49 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 0.99 0.00 0.00 1.07 0.00 0.00 67 A 8.69 4.71 1.22 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 0.00 0.00 68 V 8.53 3.88 0.67 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 0.24 0.00 0.00 0.21 0.00 0.00 69 I 8.47 4.72 2.17 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 1.02 0.52 0.88 0.00 0.00 70 N 9.10 4.33 0.00 3.09 3.03 0.00 0.00 7.05 8.03 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 71 P 0.00 5.18 0.00 2.64 2.26 0.00 3.95 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 2.48 2.32 0.00 72 E 9.76 4.93 0.00 1.96 1.89 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 2.37 2.46 0.00 73 I 8.18 4.29 1.59 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.36 0.77 0.00 0.00 74 L 8.93 4.26 0.00 1.55 1.69 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 75 E 7.94 4.82 0.00 1.82 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 0.00 2.26 2.29 0.00 76 I 8.09 4.83 1.86 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 1.19 0.56 0.91 0.00 0.00 77 D 9.09 4.66 0.00 2.81 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 78 P 0.00 4.39 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 79 E 8.53 4.29 0.00 1.98 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 2.33 2.40 0.00 80 T 8.42 5.12 4.34 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 1.25 0.00 0.00 81 E 8.98 4.76 0.00 2.07 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 2.24 2.28 0.00 82 V 8.30 5.01 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 0.88 0.00 0.00 0.96 0.00 0.00 83 A 8.54 4.72 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 84 E 8.75 4.83 0.00 1.97 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 0.00 2.40 2.39 0.00 85 E 9.42 4.78 0.00 1.97 1.89 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 2.31 2.34 0.00 86 G 8.69 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 88 L 8.32 4.27 0.00 1.62 1.53 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.86 4.36 0.00 4.10 4.09 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 90 F 7.39 5.06 0.00 1.51 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 0.00 0.00 0.00 91 P 0.00 3.91 0.00 2.11 1.99 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 92 E 8.76 4.00 0.00 2.05 2.17 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 2.23 2.30 0.00 93 I 6.85 4.46 1.63 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.50 1.04 0.00 0.00 94 F 8.99 5.16 0.00 2.89 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 95 V 8.75 4.63 2.17 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 0.89 0.00 0.00 0.98 0.00 0.00 96 E 8.86 4.84 0.00 2.00 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 2.45 2.40 0.00 97 I 9.09 4.85 1.92 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 1.14 0.98 0.93 0.00 0.00 98 E 8.86 4.85 0.00 2.00 1.87 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 2.28 2.35 0.00 99 R 9.03 4.82 0.00 1.73 1.77 0.00 3.38 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 100 S 8.85 4.64 0.00 3.89 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 0.00 101 K 9.34 4.30 0.00 1.80 1.85 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.41 7.81 102 R 7.91 5.22 0.00 1.87 1.69 0.00 3.20 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 103 I 8.87 5.08 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.67 0.87 0.00 0.00 104 K 8.74 4.85 0.00 1.94 1.70 0.00 1.53 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.32 7.81 105 V 8.76 4.90 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 -0.04 0.00 0.00 0.84 0.00 0.00 106 K 9.05 5.22 0.00 1.79 1.66 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.52 1.47 7.81 107 Y 8.75 5.36 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 9.59 5.11 0.00 2.12 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.66 0.00 0.00 0.00 0.00 0.00 1.19 1.75 0.00 109 N 8.44 5.07 0.00 2.99 3.02 0.00 0.00 6.96 6.66 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 0.00 110 T 8.36 4.06 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 1.18 0.00 0.00 111 R 8.67 4.14 0.00 1.92 1.92 0.00 3.16 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 112 G 8.01 2.52 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 0.00 113 E 7.59 4.13 0.00 1.83 1.79 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 2.28 2.19 0.00 114 Y 8.37 4.71 0.00 2.82 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 0.00 115 V 9.02 4.35 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 0.00 0.00 0.72 0.00 0.00 0.77 0.00 0.00 116 E 8.47 5.12 0.00 1.78 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 0.00 2.29 2.21 0.00 117 E 8.89 4.66 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 118 E 8.65 5.03 0.00 1.95 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 2.20 2.49 0.00 119 L 8.87 5.08 0.00 1.46 1.47 0.65 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.48 5.16 0.00 2.00 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 2.26 2.32 0.00 121 G 9.10 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 9.07 4.23 0.00 3.05 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.20 3.93 1.45 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 0.00 0.00 124 A 7.89 3.96 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 0.00 125 R 8.21 3.81 0.00 1.92 2.07 0.00 3.24 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 126 V 7.70 3.41 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.22 0.00 0.00 127 F 8.32 3.89 0.00 3.41 3.18 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 0.00 128 Q 8.48 4.19 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 129 H 8.15 3.99 0.00 3.26 3.36 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 7.85 3.77 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 2.06 1.94 0.00 131 F 8.07 4.04 0.00 3.12 3.24 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 0.00 132 D 8.41 4.27 0.00 2.80 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 0.00 133 H 7.74 4.01 0.00 3.28 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.77 4.08 0.00 1.42 1.54 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 135 N 7.63 4.71 0.00 2.60 2.68 0.00 0.00 7.01 7.17 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 0.00 136 G 7.84 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 0.00 137 V 7.41 4.24 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 0.79 0.00 0.00 0.85 0.00 0.00 138 L 9.10 4.61 0.00 1.22 1.07 -0.31 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.17 3.63 1.90 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 1.62 0.88 0.89 0.00 0.00 140 I 7.62 3.90 1.85 0.00 0.00 0.57 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 0.39 1.06 0.00 0.00 141 D 8.03 4.46 0.00 2.64 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 0.00 142 R 7.59 4.53 0.00 1.76 1.89 0.00 3.17 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 143 I 7.89 3.99 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 1.43 0.78 0.92 0.00 0.00 144 S 8.81 4.49 0.00 3.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.51 0.00 2.10 2.09 0.00 3.81 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 2.00 1.99 0.00