NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4633 8.3044 118.1955 55.2344 32.5861 174.1701 1 V 4.2523 7.8457 117.8227 60.8579 34.3543 172.8811 2 L 4.4301 8.3165 127.3233 53.8672 43.8198 176.7236 3 S 4.5849 8.5333 116.8548 57.5901 65.5426 175.0188 4 E 4.2829 8.8895 122.9786 59.5605 29.3477 179.2582 5 G 3.6525 8.1124 105.2482 47.8778 0.0000 175.3277 6 E 3.8997 7.9872 120.6183 58.9665 29.3728 179.5673 7 W 4.2436 8.0631 118.9382 59.6273 29.1536 178.6524 8 Q 4.0952 8.3740 118.2345 59.1714 28.2592 178.7805 9 L 4.0955 7.8905 119.7424 57.8163 41.5859 179.9625 10 V 3.7455 7.8300 118.2403 65.9848 31.7436 177.8353 11 L 4.4123 8.4492 117.8163 56.7213 41.3578 178.7948 12 H 4.3308 8.0514 118.2690 59.2362 30.2934 177.2758 13 V 3.7345 7.8489 120.2983 64.1666 31.3539 178.0945 14 W 3.9995 8.5060 129.1593 60.0772 30.2686 177.7963 15 A 4.0257 7.8214 119.7553 54.6375 17.9951 179.4880 16 K 3.9392 7.8275 117.4572 59.3987 32.1628 179.4792 17 V 2.8623 7.1944 117.9586 65.8759 31.0193 177.5842 18 E 3.8492 7.5578 116.0574 58.3285 29.2707 178.6608 19 A 4.2382 7.4937 120.4742 53.6324 19.9117 177.3872 20 D 4.5909 7.8498 116.8757 51.8063 42.1180 175.6118 21 V 3.4338 7.9828 122.9517 65.4219 32.0506 176.9112 22 A 4.1697 7.9744 120.1973 54.9774 18.2260 179.7045 23 G 3.8912 8.3155 105.8147 47.6114 0.0000 175.8206 24 H 4.2507 8.2580 118.5795 58.3002 28.7562 177.9878 25 G 3.7364 8.4725 108.0811 47.9249 0.0000 175.6322 26 Q 3.9111 8.1680 120.3665 58.8057 28.8200 178.2809 27 D 4.3619 7.9749 119.7118 57.7236 40.8908 179.4242 28 I 3.7061 7.8217 119.7081 64.5075 37.0982 178.5659 29 L 3.4009 7.8251 119.7339 57.6256 41.3113 179.7413 30 I 3.7232 7.7879 119.8959 64.1890 36.9719 178.4348 31 R 3.8458 7.9476 119.7106 59.0793 29.8873 178.3852 32 L 3.8854 7.8351 120.2017 58.3328 41.8708 179.0761 33 F 4.6601 8.0115 118.0280 60.5750 38.5506 177.9262 34 K 4.0407 8.4139 117.9751 59.3459 31.9053 179.3047 35 S 4.3806 8.0323 114.7835 60.0490 63.9387 174.1836 36 H 4.5788 8.4278 119.8600 52.3751 29.2582 172.1251 37 P 4.5160 0.0000 0.0000 64.3747 31.4403 177.6225 38 E 4.0826 8.2952 116.6070 59.5981 29.3177 179.1742 39 T 3.7985 8.1310 110.7590 64.3077 68.7952 176.2077 40 L 3.7857 7.9376 123.1345 57.5705 41.7232 178.6024 41 E 4.0598 7.8969 117.4846 59.1380 29.4026 178.9439 42 K 4.3352 8.0718 117.5286 57.4768 32.4015 176.9341 43 F 4.2480 8.0635 118.7856 55.7158 38.1741 176.2966 44 D 4.3740 8.3281 126.5259 56.6505 40.9237 178.4152 45 R 4.1477 7.5721 117.1194 57.6685 30.6081 176.9608 46 F 4.9348 6.8832 113.7774 57.4757 41.0740 177.9648 47 K 4.3528 8.2463 122.5249 59.4580 32.4819 176.8786 48 H 4.3289 8.2166 112.9753 57.8248 28.7698 175.7899 49 L 4.0239 7.0251 120.0045 55.3978 41.8342 176.9848 50 K 4.3656 9.4943 122.0940 56.8786 33.9785 176.5739 51 T 4.7149 7.4528 107.5990 59.0372 73.2008 174.2258 52 E 3.9190 8.5745 120.1841 59.0667 29.4437 178.3634 53 A 4.0253 7.9014 120.7377 55.1104 18.3001 179.2935 54 E 3.9268 7.9769 116.2754 59.6068 29.7738 179.1959 55 M 4.1364 8.1309 119.0868 58.3115 31.8225 178.9501 56 K 3.9944 8.3732 117.7310 58.6314 32.2783 178.2709 57 A 4.5310 7.2845 118.6542 51.0339 19.6629 176.8676 58 S 4.2526 7.5474 114.2206 57.4941 62.9737 174.7315 59 E 4.0083 8.8835 128.2433 59.4206 29.3420 178.8397 60 D 4.4353 8.1075 118.5457 57.4344 41.0163 178.3649 61 L 3.0312 7.4941 120.5955 57.8413 41.9231 179.0041 62 K 3.9514 7.8839 119.1894 59.3153 32.1270 178.9968 63 K 4.0318 8.0130 118.9691 59.7317 31.9349 178.8344 64 H 4.4964 8.5128 118.6141 59.0345 29.8237 177.4661 65 G 3.9105 8.2896 107.7844 48.0481 0.0000 175.8445 66 V 3.6135 7.8698 120.8458 65.8044 31.4698 178.3020 67 T 3.9166 8.0367 115.8260 66.6445 68.3558 176.6947 68 F 4.3954 8.7042 117.0841 59.6965 38.0711 177.4842 69 L 3.2897 7.4093 120.8589 57.7875 41.7840 178.9683 70 T 3.8823 8.0872 115.7759 66.5359 68.2906 176.4035 71 A 3.9680 7.8154 122.2304 55.0636 18.3566 179.3657 72 L 3.7216 8.0280 119.0179 58.2204 42.1079 179.3777 73 G 3.4300 8.2843 105.3810 47.7720 0.0000 175.4119 74 A 4.0930 7.7107 121.7874 54.3540 18.6577 179.4731 75 I 3.8844 7.2603 118.5652 64.3236 37.4069 178.3980 76 L 4.0039 7.8739 120.1009 57.6412 41.1297 179.6998 77 K 3.9532 7.6429 117.4200 58.8117 32.1786 179.1333 78 K 3.9211 7.9036 118.5937 56.6447 31.8358 177.2004 79 K 2.0000 8.0901 117.4230 56.7621 29.7173 176.0182 80 G 4.0614 8.0905 107.6545 46.1193 0.0000 175.1182 81 H 4.7228 7.7313 118.1464 53.8690 27.1785 174.5149 82 H 5.3086 7.2437 115.1815 53.5685 29.7351 176.8563 83 E 4.0234 8.5273 122.0722 60.3595 29.0572 178.5934 84 A 4.1023 7.8868 119.4119 55.1951 18.6482 178.9756 85 E 4.0943 8.1854 116.6454 59.6983 29.5277 179.5264 86 L 4.1231 8.2328 118.9235 57.3661 41.5747 179.4297 87 K 3.9329 7.8412 119.1689 59.2345 32.1283 177.5504 88 P 4.3689 0.0000 0.0000 65.5241 31.3163 178.1389 89 L 4.0732 7.4990 120.1427 58.0018 42.0571 178.7036 90 A 4.2439 8.3989 121.0594 54.9121 18.2979 179.4995 91 Q 3.9199 8.1922 118.5623 59.5145 29.2009 178.6793 92 S 4.0728 8.2069 115.2476 61.5657 63.0694 175.8469 93 H 4.2008 8.7009 119.2512 57.7397 28.3566 177.0847 94 A 3.0198 7.8967 121.6797 53.4096 18.8144 178.6116 95 T 4.0261 7.4696 112.6804 64.7426 69.7594 176.0370 96 K 4.0229 7.4749 119.9415 59.0712 32.7820 177.3496 97 H 4.2581 7.8261 114.7755 56.3835 29.3622 175.2395 98 K 3.1129 7.4849 117.2055 56.7093 28.1047 174.8548 99 I 4.3115 7.9301 118.9163 58.4622 38.4169 174.7713 100 P 4.5346 0.0000 0.0000 62.4951 31.9884 177.3049 101 I 3.6691 8.9507 121.7809 64.7721 37.0073 178.5042 102 K 3.5877 7.9802 119.6413 59.8596 31.7283 178.1929 103 Y 4.1587 7.7889 116.9170 60.9352 37.8884 178.1601 104 L 4.1679 7.9017 119.5147 57.7313 41.7752 179.2551 105 E 4.0585 8.2344 118.8541 59.2697 29.3184 179.2767 106 F 4.4787 7.9297 117.8939 60.8117 38.9427 177.6147 107 I 3.9065 8.2477 117.9386 63.8270 37.7519 178.0693 108 S 4.2635 8.1157 116.2245 61.4505 62.6205 176.0367 109 E 4.1166 8.4550 121.8706 58.8653 29.3109 178.7030 110 A 4.0873 7.9054 120.8858 54.9773 18.4584 179.5913 111 I 3.7482 8.2315 118.7368 64.7960 37.1766 178.8217 112 I 3.8550 8.0246 120.5743 64.3892 36.8713 178.0981 113 H 4.1234 8.3855 119.4460 59.1336 29.6267 177.5876 114 V 3.5681 8.0248 120.1447 65.9658 31.3287 177.9357 115 L 3.7886 7.8780 118.8300 57.9366 41.0937 178.8810 116 H 4.2370 7.8533 117.0439 59.4411 29.8464 177.2019 117 S 4.1729 7.7629 115.5562 61.8439 62.8269 176.6876 118 R 4.0291 7.9545 119.2170 57.8997 30.7578 176.5397 119 H 5.0269 8.3805 116.5697 53.7842 29.8539 173.4719 120 P 4.2775 0.0000 0.0000 66.0688 31.2544 178.7602 121 G 3.6261 8.2362 106.4134 47.7767 0.0000 173.6360 122 N 4.9502 8.0971 114.6227 52.8130 39.1847 175.2713 123 F 4.9162 7.7665 119.2234 56.3444 39.5875 174.3265 124 G 3.9090 7.6765 109.0494 44.0387 0.0000 171.9134 125 A 3.8931 8.4187 120.6064 55.3976 18.2382 179.7548 126 D 4.1819 7.9442 116.6113 57.4331 40.9300 178.7178 127 A 3.8799 7.7666 120.7955 54.9361 18.3795 179.3759 128 Q 3.0925 7.8434 118.6595 58.8914 29.0726 178.4188 129 G 3.6344 8.0595 106.6562 47.6520 0.0000 175.5426 130 A 3.8058 8.0808 123.0917 55.1705 18.4890 179.1654 131 M 3.9211 8.2060 117.1110 59.0642 32.1706 177.9185 132 N 4.3473 8.6632 117.3728 56.5300 39.0166 176.7682 133 K 3.8464 8.0945 120.9099 59.4089 32.1998 178.7320 134 A 3.8100 8.0984 121.2959 54.9802 18.1544 179.5837 135 L 4.1264 8.1502 117.5975 57.7810 41.6906 179.4072 136 E 4.0146 8.5423 119.0155 59.0651 29.3318 179.1397 137 L 3.9400 8.2182 120.6996 58.0919 42.1564 178.6016 138 F 4.1545 8.4990 120.7867 61.5639 39.1740 177.3406 139 R 3.4613 8.3728 117.8444 58.9821 29.8576 178.9290 140 K 3.8164 8.2617 119.7526 59.6264 32.1457 178.6105 141 D 4.3275 8.0699 119.1856 57.2502 40.7735 178.8237 142 I 3.4193 7.5875 120.3931 64.0411 36.9543 178.3325 143 A 3.8198 7.9699 121.7625 54.8691 18.2034 179.5998 144 A 3.9521 7.8870 119.4514 55.1837 18.4653 180.0430 145 K 3.9936 8.1557 117.1006 59.7108 32.0842 179.0574 146 Y 4.4699 8.5059 117.4747 61.3538 37.9072 179.0374 147 K 4.0488 8.2557 119.2359 59.5580 31.8953 179.3185 148 E 4.0727 7.9049 117.6033 58.9418 29.4834 178.5130 149 L 4.3732 7.8484 116.8335 55.0896 41.9986 177.7150 150 G 3.9156 7.9870 107.3487 45.3361 0.0000 172.5524 151 Y 4.7139 7.6221 119.5551 55.8199 41.0328 175.7958 152 Q 2.5200 9.1467 121.3839 57.9629 29.4097 173.8865 153 G 3.9786 7.7660 108.0127 45.7280 0.0000 173.1086 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 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.85 4.25 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 0.87 0.00 0.00 0.96 0.00 0.00 2 L 8.32 4.43 0.00 1.16 0.80 0.61 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.53 4.58 0.00 4.07 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 4 E 8.89 4.28 0.00 2.19 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 2.43 2.53 0.00 5 G 8.11 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 6 E 7.99 3.90 0.00 1.93 1.71 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 2.21 2.26 0.00 7 W 8.06 4.24 0.00 3.59 3.22 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 8 Q 8.37 4.10 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.80 0.00 9 L 7.89 4.10 0.00 1.89 1.75 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.83 3.75 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 1.15 0.00 0.00 0.90 0.00 0.00 11 L 8.45 4.41 0.00 1.85 1.80 0.95 1.28 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 8.05 4.33 0.00 3.33 3.55 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.85 3.73 2.43 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 1.12 0.00 0.00 0.92 0.00 0.00 14 W 8.51 4.00 0.00 3.63 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 15 A 7.82 4.03 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 16 K 7.83 3.94 0.00 1.54 1.64 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 17 V 7.19 2.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.41 0.00 0.00 18 E 7.56 3.85 0.00 1.98 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 2.18 2.00 0.00 19 A 7.49 4.24 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 20 D 7.85 4.59 0.00 2.69 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 21 V 7.98 3.43 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 0.93 0.00 0.00 0.80 0.00 0.00 22 A 7.97 4.17 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 23 G 8.32 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 24 H 8.26 4.25 0.00 3.12 3.22 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 8.47 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 26 Q 8.17 3.91 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 27 D 7.97 4.36 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 28 I 7.82 3.71 2.12 0.00 0.00 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 1.61 0.67 1.08 0.00 0.00 29 L 7.83 3.40 0.00 1.49 1.12 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.79 3.72 1.89 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 1.42 0.58 0.89 0.00 0.00 31 R 7.95 3.85 0.00 1.93 2.09 0.00 3.00 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 32 L 7.84 3.89 0.00 1.70 1.37 1.02 0.75 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 33 F 8.01 4.66 0.00 3.04 2.83 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 0.00 0.00 0.00 0.00 34 K 8.41 4.04 0.00 1.71 1.84 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.62 7.81 35 S 8.03 4.38 0.00 3.74 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 36 H 8.43 4.58 0.00 2.95 2.94 0.00 5.62 0.00 0.00 0.00 0.00 6.76 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 4.52 0.00 2.14 2.08 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.30 4.08 0.00 2.28 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 0.00 2.32 2.56 0.00 39 T 8.13 3.80 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 0.71 0.00 0.00 40 L 7.94 3.79 0.00 1.24 1.68 0.17 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.90 4.06 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 42 K 8.07 4.34 0.00 1.84 1.66 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.69 1.93 7.81 43 F 8.06 4.25 0.00 3.00 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 0.00 0.00 0.00 0.00 44 D 8.33 4.37 0.00 2.56 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 45 R 7.57 4.15 0.00 1.26 1.97 0.00 3.12 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 46 F 6.88 4.93 0.00 2.81 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 47 K 8.25 4.35 0.00 1.83 1.82 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.55 7.81 48 H 8.22 4.33 0.00 3.35 3.47 0.00 5.61 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 49 L 7.03 4.02 0.00 1.54 1.58 0.80 0.83 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 50 K 9.49 4.37 0.00 1.77 1.82 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.53 7.81 51 T 7.45 4.71 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 8.57 3.92 0.00 2.05 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 2.35 2.36 0.00 53 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 54 E 7.98 3.93 0.00 2.08 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 2.33 2.33 0.00 55 M 8.13 4.14 0.00 2.04 2.34 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 56 K 8.37 3.99 0.00 1.80 1.84 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.61 7.81 57 A 7.28 4.53 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 58 S 7.55 4.25 0.00 3.82 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 59 E 8.88 4.01 0.00 2.04 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 2.40 2.35 0.00 60 D 8.11 4.44 0.00 2.91 3.12 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 0.00 0.00 0.00 61 L 7.49 3.03 0.00 0.98 1.52 0.74 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.88 3.95 0.00 1.86 1.76 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.01 4.03 0.00 2.14 1.93 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 64 H 8.51 4.50 0.00 3.69 3.70 0.00 5.79 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 8.29 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.87 3.61 2.25 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 1.10 0.00 0.00 0.95 0.00 0.00 67 T 8.04 3.92 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 1.34 0.00 0.00 68 F 8.70 4.40 0.00 3.35 3.35 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 69 L 7.41 3.29 0.00 1.54 1.47 0.41 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.09 3.88 4.45 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 1.23 0.00 0.00 71 A 7.82 3.97 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 72 L 8.03 3.72 0.00 1.62 1.68 0.35 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.28 3.43 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 74 A 7.71 4.09 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 75 I 7.26 3.88 1.83 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 1.53 0.80 0.89 0.00 0.00 76 L 7.87 4.00 0.00 1.32 1.52 -0.18 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.64 3.95 0.00 1.79 1.79 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.46 7.81 78 K 7.90 3.92 0.00 1.84 1.78 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.83 7.81 79 K 8.09 2.00 0.00 1.33 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.63 7.81 80 G 8.09 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 0.00 0.00 0.00 0.00 81 H 7.73 4.72 0.00 3.16 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.24 5.31 0.00 3.29 3.42 0.00 5.64 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 83 E 8.53 4.02 0.00 2.10 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 2.41 2.46 0.00 84 A 7.89 4.10 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 8.19 4.09 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 86 L 8.23 4.12 0.00 1.93 1.73 0.96 0.85 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 87 K 7.84 3.93 0.00 1.93 1.90 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.62 7.81 88 P 0.00 4.37 0.00 2.31 2.34 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 89 L 7.50 4.07 0.00 1.89 1.93 1.00 1.21 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 90 A 8.40 4.24 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 91 Q 8.19 3.92 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 92 S 8.21 4.07 0.00 4.01 4.12 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 0.00 0.00 0.00 93 H 8.70 4.20 0.00 3.67 3.63 0.00 5.80 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 7.90 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.47 4.03 4.18 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 1.12 0.00 0.00 96 K 7.47 4.02 0.00 1.54 1.58 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.35 7.81 97 H 7.83 4.26 0.00 3.01 3.11 0.00 5.84 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 7.48 3.11 0.00 1.75 1.76 0.00 1.39 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.19 1.12 7.81 99 I 7.93 4.31 2.12 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 1.13 0.00 0.00 100 P 0.00 4.53 0.00 1.91 1.97 0.00 3.32 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.35 0.00 101 I 8.95 3.67 1.88 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.82 0.87 0.00 0.00 102 K 7.98 3.59 0.00 1.70 1.59 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 0.69 7.81 103 Y 7.79 4.16 0.00 3.15 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 7.90 4.17 0.00 1.83 1.83 0.81 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.23 4.06 0.00 2.07 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 2.33 2.46 0.00 106 F 7.93 4.48 0.00 3.15 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.25 3.91 1.95 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 1.08 0.00 0.00 108 S 8.12 4.26 0.00 4.25 4.01 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 0.00 109 E 8.45 4.12 0.00 2.19 2.25 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 2.39 2.41 0.00 110 A 7.91 4.09 1.44 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 0.00 111 I 8.23 3.75 2.17 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.85 1.08 0.00 0.00 112 I 8.02 3.86 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.84 1.13 0.00 0.00 113 H 8.39 4.12 0.00 3.39 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.02 3.57 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 1.04 0.00 0.00 1.03 0.00 0.00 115 L 7.88 3.79 0.00 1.09 0.30 0.87 0.79 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 0.00 116 H 7.85 4.24 0.00 3.42 3.60 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 7.76 4.17 0.00 3.94 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.95 4.03 0.00 1.64 1.52 0.00 2.86 0.00 0.00 3.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 119 H 8.38 5.03 0.00 3.17 3.22 0.00 5.65 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 4.28 0.00 2.20 2.28 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 121 G 8.24 3.63 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 0.00 0.00 0.00 122 N 8.10 4.95 0.00 2.83 2.94 0.00 0.00 6.71 7.20 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 0.00 123 F 7.77 4.92 0.00 2.94 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 0.00 124 G 7.68 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.42 3.89 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 0.00 126 D 7.94 4.18 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 7.77 3.88 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 0.00 128 Q 7.84 3.09 0.00 1.26 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 129 G 8.06 3.63 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 0.00 0.00 0.00 130 A 8.08 3.81 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 0.00 131 M 8.21 3.92 0.00 2.35 2.38 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.95 0.00 132 N 8.66 4.35 0.00 2.87 2.94 0.00 0.00 6.87 7.28 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 0.00 133 K 8.09 3.85 0.00 1.94 1.69 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 8.10 3.81 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 0.00 135 L 8.15 4.13 0.00 1.79 1.84 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.54 4.01 0.00 2.14 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 2.70 0.00 137 L 8.22 3.94 0.00 1.84 1.96 1.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.50 4.15 0.00 3.12 3.25 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 0.00 139 R 8.37 3.46 0.00 1.82 1.84 0.00 3.18 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.00 0.00 140 K 8.26 3.82 0.00 1.76 1.77 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 1.40 1.44 7.81 141 D 8.07 4.33 0.00 2.87 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 0.00 142 I 7.59 3.42 1.23 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.35 0.04 0.00 0.00 143 A 7.97 3.82 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 0.00 144 A 7.89 3.95 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 0.00 145 K 8.16 3.99 0.00 1.93 1.93 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.63 7.81 146 Y 8.51 4.47 0.00 3.14 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.26 4.05 0.00 2.05 1.87 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 7.90 4.07 0.00 2.16 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 2.36 2.49 0.00 149 L 7.85 4.37 0.00 1.85 1.74 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.99 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.62 4.71 0.00 2.59 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 0.00 152 Q 9.15 2.52 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 153 G 7.77 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