NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4600 8.3044 118.1954 55.1738 32.5606 174.3432 1 V 4.2611 7.8904 118.7749 60.7769 34.4699 173.4957 2 L 4.3030 8.3408 127.4307 53.9396 43.5740 176.9619 3 S 4.4849 8.7477 117.4763 57.8896 65.1816 175.1735 4 E 4.3117 8.8387 122.7278 59.5108 29.4999 179.1728 5 G 3.6107 8.0884 105.4275 47.6778 0.0000 175.4843 6 E 3.9250 8.1236 120.7401 58.9523 29.4519 179.2497 7 W 4.3637 8.0288 118.9931 59.9836 29.0527 178.4901 8 Q 4.1559 8.5310 118.0333 59.1094 28.0688 178.9908 9 L 4.0583 7.9083 119.5418 57.6605 41.6302 179.8193 10 V 3.7116 7.9555 118.1830 66.2132 31.6179 178.1420 11 L 4.3593 8.6816 118.5839 57.3021 40.9741 179.0361 12 H 4.2217 8.5919 119.1125 59.3065 29.9002 177.4272 13 V 3.3735 7.7749 119.9383 65.7001 31.3162 177.6740 14 W 3.8845 8.4991 127.9477 60.3661 30.2003 177.7764 15 A 3.9765 7.9292 120.0940 54.7469 18.0104 179.6082 16 K 3.9200 7.2934 116.9182 59.5233 32.1769 179.3910 17 V 2.8018 7.0929 118.4683 66.0340 30.9862 177.6678 18 E 3.9125 7.6058 115.2926 57.9855 29.3214 178.5596 19 A 4.2135 7.5203 120.6896 53.8283 19.8128 177.6536 20 D 4.6608 7.8905 116.6894 52.1600 42.6698 175.5550 21 V 3.4663 7.9533 123.0131 65.4747 32.0970 176.8314 22 A 4.0809 7.9833 120.2458 55.0180 18.2955 179.7033 23 G 3.7527 8.2620 105.5941 47.8146 0.0000 175.7521 24 H 4.1912 8.2844 119.0718 58.3241 28.6754 178.0540 25 G 3.6570 8.4271 107.9774 47.8608 0.0000 175.5977 26 Q 3.9301 8.1015 120.3280 58.9074 28.8309 178.6087 27 D 4.3128 7.9682 119.6465 57.5221 40.7814 179.2034 28 I 3.6589 7.7940 120.0397 64.4986 37.0847 178.6433 29 L 3.4423 7.7359 119.6796 57.3059 41.3097 179.7230 30 I 3.7150 7.7584 120.2070 64.1540 36.9763 178.2149 31 R 3.7874 7.8724 119.5864 59.2519 29.7772 178.1688 32 L 3.8729 7.8805 120.1831 58.4482 41.8036 179.1381 33 F 4.5410 7.9441 117.7469 60.3973 38.5570 178.0267 34 K 4.0339 8.4838 118.0369 59.5846 31.9880 179.3409 35 S 4.2687 8.0672 114.5287 60.5378 64.1679 174.7266 36 H 4.7199 8.2595 118.4844 52.1855 29.9254 171.8923 37 P 4.5008 0.0000 0.0000 64.5031 31.3673 177.5915 38 E 4.2594 8.2481 116.3898 59.5139 29.4232 179.1288 39 T 3.8324 8.2812 111.2107 64.4246 68.8077 176.2742 40 L 3.6308 8.0143 122.9786 57.6269 41.7274 178.6480 41 E 4.0690 7.8185 118.0988 59.1012 29.4055 178.9280 42 K 4.3550 8.1397 117.4618 57.1229 32.3392 176.7582 43 F 4.5698 8.0628 118.8613 55.6320 39.0386 176.3148 44 D 4.4221 8.6471 126.8302 57.0575 40.9011 178.3961 45 R 4.2483 8.1140 116.7558 58.0675 30.5099 177.3404 46 V 4.5235 8.2781 114.3346 60.6692 33.6737 176.9244 47 K 3.7838 8.4415 120.6201 60.0687 31.8840 177.3573 48 H 4.4657 8.1211 111.3267 56.4350 29.0930 175.4426 49 L 4.1046 7.3667 121.8553 54.8831 41.8562 176.8337 50 K 4.3242 9.5536 122.9724 57.1446 33.7273 176.7855 51 T 4.7245 7.4335 107.4853 59.0116 73.2273 174.2932 52 E 3.9567 8.5968 120.5458 59.0878 29.3739 178.4463 53 A 3.9973 7.8739 119.9074 55.1931 18.8597 178.9188 54 E 4.0511 8.1935 117.1075 59.7278 29.4845 179.5022 55 M 4.0687 8.1501 118.6976 58.4888 31.8618 179.0541 56 K 4.0258 8.3954 117.3446 58.8813 32.2459 178.5344 57 A 4.3988 7.4991 118.9337 52.0417 19.2975 177.2086 58 S 4.2763 7.5407 113.9260 57.7152 63.0323 174.8003 59 E 4.0381 8.8714 128.0221 59.5391 29.2267 178.9786 60 D 4.2970 8.0343 118.6417 57.1386 40.8903 178.3276 61 L 4.0058 7.9734 120.9547 58.0568 42.1273 178.9674 62 K 3.9339 7.9410 119.1340 59.3198 32.0649 178.9702 63 K 3.9830 8.1339 118.8568 59.8001 31.9184 178.9266 64 H 4.4128 8.4092 116.6708 58.8744 28.6472 178.0125 65 G 3.6238 8.3195 107.5395 47.9234 0.0000 175.8930 66 V 3.6624 7.8941 120.9852 65.8340 31.5249 178.1649 67 T 3.9013 8.1694 115.6095 66.6079 68.2477 176.6601 68 V 3.6544 8.0968 120.1625 66.2673 31.5564 178.1817 69 L 4.2602 8.1336 118.6074 57.9639 41.5504 179.7000 70 T 3.9646 8.3710 115.9494 66.5225 68.5309 176.6482 71 A 4.0082 8.1170 122.7432 55.0722 18.3757 179.4502 72 L 3.7219 8.3453 119.4088 58.0087 42.1251 179.2417 73 G 3.4374 8.4710 105.7836 47.9157 0.0000 175.5184 74 A 4.0402 7.6453 121.6958 54.5806 18.6258 179.6829 75 I 3.7747 7.4195 118.1199 64.6554 37.2182 178.6653 76 L 3.9885 7.8844 120.0952 57.5710 41.1415 179.4046 77 K 3.9997 7.6793 116.7258 58.0926 32.3887 178.8385 78 K 3.9279 7.9036 118.8090 56.4157 32.2303 176.7927 79 K 2.0000 8.3170 118.0488 56.3783 29.8479 175.8596 80 G 3.9599 7.9530 106.4646 45.7882 0.0000 174.3063 81 H 4.6861 7.3651 119.2133 55.3222 27.4946 174.8837 82 H 5.2326 7.2125 111.0841 54.1714 29.5226 175.9868 83 E 3.9876 8.6459 121.5732 60.2867 28.9474 179.1455 84 A 4.0329 7.9046 118.3246 55.3310 19.1921 179.1127 85 E 4.0862 8.1799 116.5695 59.4449 29.4867 179.3302 86 L 3.9111 8.0478 119.0165 57.0685 41.6874 179.3898 87 K 3.9661 7.7853 118.5661 59.1243 32.0575 177.5714 88 P 4.3256 0.0000 0.0000 65.5285 31.2934 178.1757 89 L 4.0249 7.4935 119.4052 57.9320 41.9645 178.7014 90 A 4.2157 8.4460 121.2322 55.1427 18.3544 179.4280 91 Q 3.8657 8.2967 118.3457 59.3953 29.1256 178.6644 92 S 4.0159 8.2814 115.4423 61.8116 63.0481 176.1269 93 H 4.0951 8.6503 119.5541 58.0427 28.7757 177.6900 94 A 2.6998 8.2477 123.2344 54.1470 18.0757 178.7881 95 T 3.7334 7.4599 108.5926 62.2244 68.9104 174.8893 96 K 4.0628 7.5597 120.7331 58.8108 32.9777 177.2303 97 H 4.2270 8.0390 116.3833 56.6987 29.3417 175.3257 98 K 3.3452 6.8894 116.6492 56.7509 28.6788 174.9188 99 I 4.3484 7.9880 118.9766 58.4367 38.6999 174.7889 100 P 4.5469 0.0000 0.0000 62.3161 32.1388 177.3762 101 I 3.5616 8.4521 121.3679 64.5590 36.8933 178.4917 102 K 3.7685 7.9711 119.8306 59.9793 31.8284 178.1893 103 Y 4.1396 8.0824 116.9193 60.8370 37.8865 178.1793 104 L 4.2127 7.8832 119.6801 57.5402 41.7502 179.1196 105 E 4.0115 8.0979 118.7920 59.4192 29.4204 179.2267 106 F 4.6100 7.9278 117.7982 60.9335 38.9262 177.6683 107 I 3.9010 8.1344 117.8907 63.8569 37.7589 178.0924 108 S 4.1977 8.1537 116.2181 61.4730 62.6514 176.1508 109 E 4.0290 8.3999 121.9198 59.2547 29.4396 178.7703 110 A 4.0670 8.1292 120.9256 55.0367 18.3773 179.7449 111 I 3.7150 8.0275 118.6662 64.6832 37.1938 178.7253 112 I 3.8512 7.9763 120.6770 64.5207 36.9043 178.0082 113 H 4.1224 8.3901 119.1186 59.3744 29.6739 177.6045 114 V 3.5733 7.9065 120.0263 65.8570 31.2706 177.9999 115 L 3.7683 7.8723 118.8694 57.7781 41.0646 178.8101 116 H 4.2909 7.8225 117.1569 59.4658 29.8749 177.2294 117 S 4.1683 7.8477 115.4538 61.7594 62.8347 176.5559 118 R 4.0832 7.9362 118.8501 57.4473 31.0102 176.4239 119 H 5.0480 8.2313 116.2139 54.0498 29.6820 173.4144 120 P 4.3282 0.0000 0.0000 65.8311 31.5836 179.0397 121 G 3.6777 8.1328 106.6443 47.4901 0.0000 173.7292 122 N 5.0026 8.1374 115.2398 52.9661 39.3488 174.8003 123 F 4.9520 7.8676 119.2729 56.4764 39.6493 174.4359 124 G 3.9035 7.7472 108.6188 43.8826 0.0000 172.2126 125 A 3.8842 8.3997 120.6569 55.4733 18.3070 179.7315 126 D 4.1947 7.9573 116.5912 57.3685 40.8961 178.6997 127 A 3.9264 7.7646 120.8719 55.0060 18.3931 179.3685 128 Q 3.1130 7.8069 118.4124 58.7963 28.9792 178.3902 129 G 3.5897 7.9991 106.6401 47.9289 0.0000 175.4787 130 A 3.8365 7.9905 123.4345 54.8364 18.3285 179.3882 131 M 3.9855 8.3585 117.1892 58.7493 32.3169 177.9346 132 N 4.3057 8.6181 117.6707 56.5518 39.0454 176.6680 133 K 3.8391 8.2571 121.0095 59.4955 32.1906 178.6040 134 A 3.8324 7.9775 121.0203 55.1270 18.1706 179.6483 135 L 4.0854 8.2002 117.5934 57.7516 41.6372 179.4479 136 E 3.9684 8.6544 119.1646 59.1900 29.4052 179.0365 137 L 3.9381 8.1894 120.5163 58.1568 42.1229 178.4456 138 F 4.1678 8.4417 120.6811 61.7686 39.1532 177.4130 139 R 3.4503 8.3150 117.5815 58.9143 29.8186 178.9989 140 K 3.8386 8.2857 119.7921 59.5975 32.2193 178.6821 141 D 4.3264 8.1511 119.1923 57.2177 40.6341 178.8084 142 I 3.4025 7.6467 120.4447 64.1975 37.0351 178.2496 143 A 3.8492 8.1716 122.9830 54.4084 18.2074 179.5061 144 A 3.9475 7.9138 119.2117 55.3141 18.4731 180.0918 145 K 4.0088 7.9467 116.9366 59.5803 32.0161 179.0000 146 Y 4.3518 8.4007 117.5012 61.2014 37.8716 178.6515 147 K 3.8926 8.2003 120.1831 59.9027 32.0639 178.5687 148 E 4.0335 7.9587 116.9611 59.1579 29.4487 178.6883 149 L 4.3419 7.8084 117.0128 55.1587 42.0227 177.7136 150 G 4.0680 7.9450 107.2493 45.3876 0.0000 173.0196 151 Y 4.3103 8.0191 119.8419 60.1369 39.9502 177.4211 152 Q 3.1443 7.0016 116.4849 57.1736 26.6175 174.7476 153 G 2.9019 7.0044 114.8435 44.7513 0.0000 170.7154 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 0 M 8.30 4.46 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 7.89 4.26 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.34 4.30 0.00 0.91 0.62 0.62 -0.38 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 3 S 8.75 4.48 0.00 4.05 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 4 E 8.84 4.31 0.00 2.20 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 0.00 2.44 2.52 0.00 5 G 8.09 3.61 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 0.00 6 E 8.12 3.93 0.00 1.91 1.70 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 2.20 2.25 0.00 7 W 8.03 4.36 0.00 3.60 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 8 Q 8.53 4.16 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 9 L 7.91 4.06 0.00 1.90 1.74 0.89 0.60 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 10 V 7.96 3.71 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.90 0.00 0.00 11 L 8.68 4.36 0.00 1.83 1.82 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.59 4.22 0.00 3.40 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.77 3.37 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 1.02 0.00 0.00 1.30 0.00 0.00 14 W 8.50 3.88 0.00 3.71 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 15 A 7.93 3.98 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 16 K 7.29 3.92 0.00 1.35 1.67 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 17 V 7.09 2.80 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 0.00 0.00 -0.03 0.00 0.00 0.40 0.00 0.00 18 E 7.61 3.91 0.00 1.98 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 2.22 2.07 0.00 19 A 7.52 4.21 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 20 D 7.89 4.66 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.47 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 1.08 0.00 0.00 0.85 0.00 0.00 22 A 7.98 4.08 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 23 G 8.26 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 24 H 8.28 4.19 0.00 3.14 3.24 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.43 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 0.00 0.00 0.00 26 Q 8.10 3.93 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 27 D 7.97 4.31 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.79 3.66 1.90 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 1.52 0.75 0.89 0.00 0.00 29 L 7.74 3.44 0.00 1.54 1.07 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.76 3.72 1.90 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 1.45 0.65 0.90 0.00 0.00 31 R 7.87 3.79 0.00 1.97 2.12 0.00 3.02 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 32 L 7.88 3.87 0.00 1.69 1.34 1.04 1.17 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 33 F 7.94 4.54 0.00 3.08 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 34 K 8.48 4.03 0.00 1.69 1.84 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 35 S 8.07 4.27 0.00 3.72 3.54 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 36 H 8.26 4.72 0.00 2.87 2.91 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.50 0.00 2.15 2.11 0.00 3.83 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 2.09 2.20 0.00 38 E 8.25 4.26 0.00 2.30 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 0.00 2.30 2.57 0.00 39 T 8.28 3.83 4.42 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 0.77 0.00 0.00 40 L 8.01 3.63 0.00 1.32 1.72 -0.09 0.69 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 41 E 7.82 4.07 0.00 2.19 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 0.00 2.37 2.38 0.00 42 K 8.14 4.36 0.00 1.78 1.64 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.69 1.90 7.81 43 F 8.06 4.57 0.00 3.20 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 44 D 8.65 4.42 0.00 2.68 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 45 R 8.11 4.25 0.00 2.00 2.08 0.00 3.24 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 46 V 8.28 4.52 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 0.57 0.00 0.00 0.95 0.00 0.00 47 K 8.44 3.78 0.00 1.81 1.95 0.00 1.98 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.70 7.81 48 H 8.12 4.47 0.00 3.27 3.45 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.37 4.10 0.00 1.53 1.55 0.85 0.72 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 50 K 9.55 4.32 0.00 1.77 1.82 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.52 7.81 51 T 7.43 4.72 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.60 3.96 0.00 2.05 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 2.37 2.37 0.00 53 A 7.87 4.00 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 54 E 8.19 4.05 0.00 2.18 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 2.34 0.00 55 M 8.15 4.07 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 56 K 8.40 4.03 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.61 7.81 57 A 7.50 4.40 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 S 7.54 4.28 0.00 3.89 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 E 8.87 4.04 0.00 2.02 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 0.00 2.40 2.34 0.00 60 D 8.03 4.30 0.00 2.70 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 61 L 7.97 4.01 0.00 1.76 1.83 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.94 3.93 0.00 1.87 1.92 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 63 K 8.13 3.98 0.00 1.90 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 64 H 8.41 4.41 0.00 3.39 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.32 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.66 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.97 0.00 0.00 67 T 8.17 3.90 4.55 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 1.31 0.00 0.00 68 V 8.10 3.65 2.28 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 1.20 0.00 0.00 1.13 0.00 0.00 69 L 8.13 4.26 0.00 1.82 1.84 0.91 0.77 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 70 T 8.37 3.96 4.33 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 1.26 0.00 0.00 71 A 8.12 4.01 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 72 L 8.35 3.72 0.00 1.66 1.68 0.24 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.47 3.44 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 0.00 0.00 0.00 0.00 74 A 7.65 4.04 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 75 I 7.42 3.77 1.82 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 1.54 0.74 0.87 0.00 0.00 76 L 7.88 3.99 0.00 1.28 1.53 -0.11 0.89 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 77 K 7.68 4.00 0.00 1.66 1.79 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.50 7.81 78 K 7.90 3.93 0.00 1.81 1.86 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.59 1.74 7.81 79 K 8.32 2.00 0.00 1.25 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.33 0.77 7.81 80 G 7.95 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 81 H 7.37 4.69 0.00 3.16 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.21 5.23 0.00 3.32 3.44 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.65 3.99 0.00 2.09 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 2.43 2.50 0.00 84 A 7.90 4.03 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 85 E 8.18 4.09 0.00 2.26 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 2.47 0.00 86 L 8.05 3.91 0.00 2.08 1.73 1.02 0.67 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 87 K 7.79 3.97 0.00 1.84 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.60 7.81 88 P 0.00 4.33 0.00 2.30 2.33 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 89 L 7.49 4.02 0.00 1.89 1.95 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.45 4.22 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.30 3.87 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 92 S 8.28 4.02 0.00 3.94 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 93 H 8.65 4.10 0.00 3.61 3.64 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.25 2.70 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 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.46 3.73 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 1.10 0.00 0.00 96 K 7.56 4.06 0.00 1.57 1.49 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.34 7.81 97 H 8.04 4.23 0.00 3.01 3.16 0.00 5.83 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.89 3.35 0.00 1.83 1.81 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.11 7.81 99 I 7.99 4.35 2.12 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 1.53 0.99 1.15 0.00 0.00 100 P 0.00 4.55 0.00 1.96 1.99 0.00 3.07 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 0.84 1.43 0.00 101 I 8.45 3.56 1.78 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.94 0.79 0.00 0.00 102 K 7.97 3.77 0.00 1.70 1.64 0.00 1.03 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 0.79 7.81 103 Y 8.08 4.14 0.00 3.20 3.06 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 0.00 104 L 7.88 4.21 0.00 1.79 1.78 0.70 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.10 4.01 0.00 2.08 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 2.33 2.31 0.00 106 F 7.93 4.61 0.00 3.20 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 0.00 107 I 8.13 3.90 2.00 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 1.58 1.61 1.09 0.00 0.00 108 S 8.15 4.20 0.00 4.23 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 0.00 109 E 8.40 4.03 0.00 2.18 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 2.37 2.40 0.00 110 A 8.13 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.03 3.71 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.73 1.05 0.00 0.00 112 I 7.98 3.85 2.13 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 1.69 0.82 1.12 0.00 0.00 113 H 8.39 4.12 0.00 3.41 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.91 3.57 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 1.01 0.00 0.00 1.01 0.00 0.00 115 L 7.87 3.77 0.00 0.39 0.56 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.82 4.29 0.00 3.47 3.63 0.00 5.95 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 0.00 117 S 7.85 4.17 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.94 4.08 0.00 1.60 1.59 0.00 3.12 0.00 0.00 2.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 119 H 8.23 5.05 0.00 3.20 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.33 0.00 2.20 2.26 0.00 3.73 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 2.06 1.94 0.00 121 G 8.13 3.68 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 0.00 0.00 0.00 122 N 8.14 5.00 0.00 2.80 2.93 0.00 0.00 6.67 6.96 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 0.00 123 F 7.87 4.95 0.00 2.94 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 0.00 124 G 7.75 3.90 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 0.00 125 A 8.40 3.88 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 0.00 126 D 7.96 4.19 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.76 3.93 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 0.00 128 Q 7.81 3.11 0.00 1.23 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 129 G 8.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.99 3.84 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 0.00 131 M 8.36 3.99 0.00 2.45 2.37 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.93 0.00 132 N 8.62 4.31 0.00 2.88 2.96 0.00 0.00 6.86 6.59 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 0.00 133 K 8.26 3.84 0.00 1.94 1.71 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.38 7.81 134 A 7.98 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.20 4.09 0.00 1.77 1.82 1.00 0.71 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 0.00 136 E 8.65 3.97 0.00 2.14 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 2.34 2.58 0.00 137 L 8.19 3.94 0.00 1.84 1.96 1.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.44 4.17 0.00 3.08 3.26 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 0.00 139 R 8.31 3.45 0.00 1.97 1.82 0.00 3.13 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 140 K 8.29 3.84 0.00 1.76 1.98 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.15 4.33 0.00 2.85 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 I 7.65 3.40 1.25 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.09 0.12 0.00 0.00 143 A 8.17 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.91 3.95 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 0.00 145 K 7.95 4.01 0.00 2.08 1.94 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.55 7.81 146 Y 8.40 4.35 0.00 3.40 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.20 3.89 0.00 2.05 1.91 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.96 4.03 0.00 2.21 2.02 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 2.36 2.37 0.00 149 L 7.81 4.34 0.00 1.81 1.69 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.95 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.02 4.31 0.00 2.51 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 0.00 152 Q 7.00 3.14 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 153 G 7.00 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 0.00 0.00 0.00