NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1717 8.2649 123.5773 51.6834 20.3418 176.8688 2 T 3.4812 8.1082 119.3863 64.3881 66.6692 170.7590 3 S 4.5726 8.3087 115.5667 57.5025 64.6248 173.7819 4 T 4.0588 8.3097 121.0570 65.9537 68.6132 175.7328 5 K 4.1610 7.8217 121.0208 55.3717 32.5507 176.0604 6 K 4.2039 8.4177 125.8233 54.9998 32.8886 176.4140 7 L 4.0702 8.2098 125.9995 54.9123 42.4927 176.0911 8 H 4.7418 8.5676 117.3622 55.2339 29.6398 174.3385 9 K 5.0705 8.6821 125.2170 54.3867 34.4918 174.9439 10 E 4.8558 9.0813 124.3587 53.8860 33.2627 173.2563 11 P 4.9435 0.0000 0.0000 62.9168 32.2657 175.1820 12 A 4.9564 8.8264 123.4052 50.9685 23.1156 175.3139 13 T 4.5299 9.0884 116.0973 61.9718 70.6950 174.2293 14 L 4.4285 8.5290 128.5033 55.3317 42.3916 175.7975 15 I 4.3800 8.8110 128.1542 62.6106 38.0119 176.0533 16 K 4.5440 7.7514 118.2451 56.0432 35.6551 174.0754 17 A 4.8326 8.5541 124.9272 50.7537 19.5072 176.7994 18 I 3.9473 8.2375 123.2634 64.0628 37.8723 176.8906 19 D 5.1633 8.6256 120.0618 52.7015 43.5933 175.9281 20 G 4.2527 8.2285 106.3907 45.9659 0.0000 173.2544 21 D 4.4016 7.6771 125.5678 54.8432 46.9695 175.7342 22 T 4.7867 7.5666 119.1357 63.1595 69.4341 173.8213 23 V 4.8477 9.2838 119.6827 59.3768 36.9512 174.6038 24 K 5.0481 9.5065 123.6149 55.0036 34.2529 174.9255 25 L 5.4108 9.3868 126.8629 53.1667 46.2158 175.5135 26 M 5.3194 9.5777 121.1780 54.2825 34.5265 173.7145 27 Y 4.8612 9.2625 126.0955 55.5332 40.2702 176.1788 28 K 3.8892 10.0861 123.1309 57.2026 29.8458 176.1658 29 G 3.7990 8.6336 104.8807 45.1204 0.0000 173.9523 30 Q 4.3432 7.7916 120.0150 53.3689 30.0595 173.1954 31 P 5.0454 0.0000 0.0000 62.5382 32.0596 176.1024 32 M 4.8061 9.6182 124.1508 53.6809 37.0284 174.7522 33 T 4.7386 8.3060 118.6300 63.2198 69.9150 174.0424 34 F 5.3416 9.7034 126.0389 56.0568 42.0363 174.9510 35 R 5.4452 8.8526 119.9925 53.5006 34.3912 173.9760 36 L 4.7724 9.3523 124.0071 53.2622 42.8325 176.6853 37 L 3.9246 7.9735 125.2553 56.3017 42.0434 177.5650 38 L 3.9769 8.7937 120.6595 55.0644 39.1079 173.8382 39 V 4.7312 7.6076 117.4894 61.0200 34.2987 174.8472 40 D 4.6780 9.1485 125.0089 53.4119 42.8443 174.2744 41 T 4.2935 8.4840 120.3663 64.9194 70.5358 174.3200 42 P 4.2866 0.0000 0.0000 64.2931 31.9120 175.7271 43 E 4.4736 7.7484 118.4103 54.7950 30.7736 176.2143 44 T 4.3099 8.2419 122.7416 62.7708 69.5652 174.7530 45 K 3.9172 8.6492 123.1150 59.8530 32.1460 176.8704 46 H 4.2052 7.6807 113.1241 54.7281 30.8098 171.1663 47 P 4.4621 0.0000 0.0000 63.0728 30.4051 176.5806 48 K 4.1880 9.6436 124.2102 58.8183 32.3475 179.1941 49 K 4.0457 8.3017 116.1490 57.0052 31.8208 177.0635 50 G 4.0469 7.6167 113.3082 45.5040 0.0000 174.2573 51 V 3.8341 7.0168 120.5429 62.1190 31.8487 176.7852 52 E 4.4047 8.0031 119.7950 56.7359 29.6793 176.5141 53 K 4.1970 8.0313 117.5314 58.0454 33.5926 177.1283 54 Y 3.2698 7.8565 115.1912 58.4572 35.6995 172.2173 55 G 3.9302 7.5409 104.4455 47.8542 0.0000 173.7121 56 P 4.2579 0.0000 0.0000 65.2241 31.4007 178.3240 57 E 3.9972 8.2003 116.8701 59.2142 29.7533 178.1803 58 A 4.0097 8.2766 121.3579 55.4828 18.0324 179.8625 59 S 4.2885 8.6888 112.7886 61.4801 63.0857 176.5434 60 A 4.0978 7.9386 124.6328 54.7821 17.9973 179.3238 61 F 4.0562 8.8736 119.9056 61.6281 39.3390 177.4830 62 T 3.9229 8.1741 109.5034 64.8375 68.4661 176.5038 63 K 3.9250 7.7795 120.1880 59.0131 31.8837 179.2970 64 K 3.8670 7.9286 118.5795 59.9203 31.8104 179.3557 65 M 3.9642 7.3304 117.1993 58.3184 32.1910 178.9299 66 V 3.8462 8.0145 112.6636 64.0697 31.7377 178.4336 67 E 4.0696 8.3430 117.3769 58.6502 29.5265 177.3262 68 N 4.4597 7.7062 115.4567 54.2347 39.3797 174.6605 69 A 4.4183 7.3492 120.5450 51.9694 19.6833 177.5535 70 K 4.1761 8.6297 121.1931 57.9021 33.0379 177.4505 71 K 4.6167 7.9173 118.3391 54.5063 35.0570 175.3394 72 I 4.9596 8.4106 125.6923 59.5129 40.1587 174.2780 73 E 5.0178 9.4616 126.9692 54.5000 32.7870 175.3975 74 V 4.4973 8.7245 117.5202 59.5240 34.0666 174.2098 75 E 4.7875 9.0766 127.4137 54.2868 31.9262 174.5658 76 F 5.2670 8.7260 125.1607 56.1019 41.2526 175.2430 77 D 4.9669 8.5990 121.2151 52.8473 43.2058 176.5996 78 K 4.1584 8.6142 117.6452 57.6792 33.2159 178.6017 79 G 3.6512 7.7705 109.5652 46.5910 0.0000 174.5465 80 Q 4.5941 8.4728 114.5920 54.2051 34.0558 174.8190 81 R 4.1767 8.4818 119.7301 57.9603 30.6872 176.4617 82 T 4.8483 7.4791 105.4454 59.5951 71.8948 172.3322 83 D 4.8599 8.4290 122.6699 51.9053 43.5138 177.0884 84 K 3.7953 8.2326 124.0167 59.5420 32.1234 177.2316 85 Y 4.4719 7.9704 114.6832 58.5377 37.8305 176.0308 86 G 3.8943 8.3964 108.4753 45.6445 0.0000 173.2689 87 R 4.6941 7.8017 115.2394 53.8721 32.4066 175.3108 88 G 4.0384 8.6825 109.3157 45.5511 0.0000 172.6781 89 L 5.3473 9.0299 121.1350 53.0473 43.8625 175.7996 90 A 4.6652 8.8151 124.7649 50.9694 23.7063 173.7817 91 Y 4.8308 8.9861 117.0450 56.4884 40.4073 175.2609 92 I 4.8717 8.5018 125.1790 59.9429 39.6130 174.1544 93 Y 5.0858 9.2655 124.8879 56.1141 40.9777 174.7153 94 A 4.9632 9.3887 126.7995 50.1881 20.5919 175.9104 95 D 4.4223 10.2644 121.3582 55.2734 39.0033 175.1295 96 G 4.0397 8.5803 105.9400 45.9729 0.0000 174.3890 97 K 4.2102 8.6122 121.1244 55.1981 32.5873 175.8743 98 M 3.9176 8.3945 124.9503 54.6198 32.2618 176.8560 99 V 3.6185 8.6831 127.7838 66.0527 31.4855 177.5195 100 N 4.3317 8.0417 115.9617 56.2042 38.2883 176.7513 101 E 3.8955 7.9958 120.2663 59.2377 29.8493 178.6760 102 A 4.0720 8.0008 120.3353 55.0877 18.3851 179.3970 103 L 3.7826 7.9920 117.3938 58.2260 41.7877 180.2943 104 V 3.7463 7.5221 112.3980 64.3736 31.2715 178.7165 105 R 3.9548 8.1256 117.6720 58.6153 30.0093 177.3433 106 Q 4.2549 7.7102 117.1376 55.2624 29.2615 175.5802 107 G 3.7249 7.5535 106.7193 47.3457 0.0000 174.4766 108 L 4.1328 7.8119 118.6814 54.5698 42.2822 176.0510 109 A 4.7314 7.3399 118.6106 50.7105 22.5000 175.2561 110 K 4.6679 8.5375 118.0103 54.3169 35.6373 176.2751 111 V 4.2977 8.3147 122.1508 63.0582 32.3566 175.1559 112 A 4.4097 8.5470 130.4495 51.1213 19.3968 176.7069 113 Y 3.9854 8.8229 124.5286 57.3047 38.1722 174.6849 114 V 4.0322 7.9834 127.6043 61.9289 32.4809 174.5170 115 Y 4.5216 8.6746 128.4797 56.3076 39.5222 174.4145 116 K 4.3515 7.9373 126.8685 53.7267 33.6093 174.1400 117 P 3.9359 0.0000 0.0000 64.6568 31.3083 175.6088 118 N 4.7577 7.4495 118.2675 53.0004 45.7800 174.3093 119 N 4.9184 7.9255 111.4746 54.0338 40.8498 175.2421 120 T 4.2313 8.5426 122.8076 66.2160 70.2781 174.5558 121 H 4.3326 7.9247 124.7308 56.8279 29.7813 173.1442 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 A 8.26 4.17 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 2 T 8.11 3.48 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 1.19 0.00 0.00 3 S 8.31 4.57 0.00 3.80 3.82 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 4 T 8.31 4.06 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 5 K 7.82 4.16 0.00 1.72 1.73 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.41 7.81 6 K 8.42 4.20 0.00 1.67 1.67 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.39 7.81 7 L 8.21 4.07 0.00 1.65 1.80 0.99 1.14 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 8 H 8.57 4.74 0.00 3.27 3.34 0.00 5.58 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.68 5.07 0.00 1.73 1.53 0.00 1.50 0.00 0.00 1.77 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.17 1.18 7.81 10 E 9.08 4.86 0.00 2.10 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 2.41 2.48 0.00 11 P 0.00 4.94 0.00 1.98 2.03 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 12 A 8.83 4.96 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 13 T 9.09 4.53 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 14 L 8.53 4.43 0.00 1.66 1.60 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.81 4.38 2.08 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 1.34 0.79 0.95 0.00 0.00 16 K 7.75 4.54 0.00 1.81 1.88 0.00 1.48 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 17 A 8.55 4.83 1.28 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 18 I 8.24 3.95 2.08 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 0.62 0.93 0.00 0.00 19 D 8.63 5.16 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.23 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 21 D 7.68 4.40 0.00 2.71 2.60 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 22 T 7.57 4.79 4.39 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 1.24 0.00 0.00 23 V 9.28 4.85 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 0.86 0.00 0.00 1.09 0.00 0.00 24 K 9.51 5.05 0.00 1.82 1.72 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.55 7.81 25 L 9.39 5.41 0.00 1.87 1.65 1.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.58 5.32 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 27 Y 9.26 4.86 0.00 3.18 3.15 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 28 K 10.09 3.89 0.00 1.82 1.88 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.53 7.81 29 G 8.63 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.79 4.34 0.00 1.03 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.88 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 31 P 0.00 5.05 0.00 1.96 2.05 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 32 M 9.62 4.81 0.00 1.33 1.36 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.77 0.00 33 T 8.31 4.74 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 1.27 0.00 0.00 34 F 9.70 5.34 0.00 2.94 2.93 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 35 R 8.85 5.45 0.00 1.89 1.75 0.00 3.17 0.00 0.00 3.30 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.46 0.00 36 L 9.35 4.77 0.00 1.66 1.54 0.98 0.73 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 37 L 7.97 3.92 0.00 0.27 1.16 0.78 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.79 3.98 0.00 2.04 1.88 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.61 4.73 2.24 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 0.92 0.00 0.00 1.02 0.00 0.00 40 D 9.15 4.68 0.00 2.75 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.48 4.29 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 1.35 0.00 0.00 42 P 0.00 4.29 0.00 2.05 2.24 0.00 3.68 0.00 0.00 3.77 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 43 E 7.75 4.47 0.00 1.89 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 2.36 0.00 44 T 8.24 4.31 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 1.29 0.00 0.00 45 K 8.65 3.92 0.00 1.76 1.90 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.61 7.81 46 H 7.68 4.21 0.00 3.03 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.46 0.00 2.01 2.00 0.00 3.56 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 1.97 2.08 0.00 48 K 9.64 4.19 0.00 1.93 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.69 7.81 49 K 8.30 4.05 0.00 1.76 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.76 1.56 7.81 50 G 7.62 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.02 3.83 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 0.34 0.00 0.00 0.81 0.00 0.00 52 E 8.00 4.40 0.00 1.97 1.95 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 2.28 2.33 0.00 53 K 8.03 4.20 0.00 2.17 2.05 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 Y 7.86 3.27 0.00 3.21 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 55 G 7.54 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.26 0.00 2.19 2.15 0.00 3.51 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 57 E 8.20 4.00 0.00 2.17 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 2.38 2.43 0.00 58 A 8.28 4.01 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 59 S 8.69 4.29 0.00 4.19 4.17 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 60 A 7.94 4.10 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.87 4.06 0.00 3.27 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 62 T 8.17 3.92 4.29 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 1.28 0.00 0.00 63 K 7.78 3.92 0.00 2.07 2.10 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.81 7.81 64 K 7.93 3.87 0.00 1.67 1.70 0.00 1.41 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.66 7.81 65 M 7.33 3.96 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 66 V 8.01 3.85 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 1.01 0.00 0.00 1.00 0.00 0.00 67 E 8.34 4.07 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 2.35 2.35 0.00 68 N 7.71 4.46 0.00 2.68 2.82 0.00 0.00 7.10 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.35 4.42 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 70 K 8.63 4.18 0.00 1.75 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 71 K 7.92 4.62 0.00 1.67 1.68 0.00 1.60 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 72 I 8.41 4.96 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 1.34 0.87 0.89 0.00 0.00 73 E 9.46 5.02 0.00 1.84 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 74 V 8.72 4.50 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 0.13 0.00 0.00 0.72 0.00 0.00 75 E 9.08 4.79 0.00 1.90 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 2.25 2.32 0.00 76 F 8.73 5.27 0.00 3.05 2.94 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 77 D 8.60 4.97 0.00 3.07 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 78 K 8.61 4.16 0.00 1.83 1.88 0.00 1.81 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 1.47 1.48 7.81 79 G 7.77 3.65 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 0.00 0.00 0.00 80 Q 8.47 4.59 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 81 R 8.48 4.18 0.00 1.39 1.64 0.00 2.81 0.00 0.00 2.83 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 82 T 7.48 4.85 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 1.16 0.00 0.00 83 D 8.43 4.86 0.00 2.70 2.69 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 84 K 8.23 3.80 0.00 1.56 1.40 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.39 7.81 85 Y 7.97 4.47 0.00 3.05 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 86 G 8.40 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 87 R 7.80 4.69 0.00 2.02 2.02 0.00 3.05 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 88 G 8.68 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 0.00 0.00 0.00 89 L 9.03 5.35 0.00 1.71 1.61 0.93 0.59 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 8.82 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.99 4.83 0.00 2.92 2.69 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 92 I 8.50 4.87 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.49 0.87 0.00 0.00 93 Y 9.27 5.09 0.00 2.87 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 94 A 9.39 4.96 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 95 D 10.26 4.42 0.00 2.84 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 96 G 8.58 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 0.00 0.00 0.00 97 K 8.61 4.21 0.00 1.84 1.75 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.66 7.81 98 M 8.39 3.92 0.00 1.79 1.22 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.33 0.00 99 V 8.68 3.62 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 0.95 0.00 0.00 0.93 0.00 0.00 100 N 8.04 4.33 0.00 2.85 2.90 0.00 0.00 7.13 7.73 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 0.00 101 E 8.00 3.90 0.00 2.00 2.13 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 2.30 2.31 0.00 102 A 8.00 4.07 1.55 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 0.00 0.00 103 L 7.99 3.78 0.00 1.90 1.70 1.00 1.10 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 0.00 104 V 7.52 3.75 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 0.73 0.00 0.00 1.05 0.00 0.00 105 R 8.13 3.95 0.00 1.89 2.02 0.00 3.25 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 106 Q 7.71 4.25 0.00 2.14 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.27 0.00 0.00 0.00 0.00 0.00 1.62 2.06 0.00 107 G 7.55 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.81 4.13 0.00 1.44 1.52 -0.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.34 4.73 1.16 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 0.00 0.00 0.00 0.00 0.00 110 K 8.54 4.67 0.00 1.75 1.72 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81 111 V 8.31 4.30 2.12 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 0.92 0.00 0.00 0.95 0.00 0.00 112 A 8.55 4.41 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 0.00 113 Y 8.82 3.99 0.00 2.99 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 0.00 114 V 7.98 4.03 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 0.82 0.00 0.00 1.02 0.00 0.00 115 Y 8.67 4.52 0.00 3.12 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 0.00 116 K 7.94 4.35 0.00 1.54 1.58 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.38 7.81 117 P 0.00 3.94 0.00 2.05 2.36 0.00 3.75 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 2.01 2.10 0.00 118 N 7.45 4.76 0.00 2.60 2.75 0.00 0.00 6.69 7.78 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 0.00 119 N 7.93 4.92 0.00 2.69 2.53 0.00 0.00 6.89 7.54 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 0.00 120 T 8.54 4.23 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 1.24 0.00 0.00 121 H 7.92 4.33 0.00 3.05 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00