NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3593 8.3301 115.2906 58.0703 63.4192 173.7860 2 A 3.9071 8.4079 129.1091 53.6231 18.6309 176.2831 3 Y 4.3688 7.4036 113.9384 56.9543 39.6289 171.7628 4 P 5.1383 0.0000 0.0000 62.1043 33.6988 174.9658 5 I 4.2333 8.6589 122.1265 60.7663 38.3813 175.1001 6 T 4.7821 8.3679 123.5341 62.1196 71.1710 174.2785 7 G 3.9639 8.5913 111.6093 45.9708 0.0000 171.2733 8 K 5.2117 8.6803 119.4772 54.4274 34.5697 176.5183 9 L 4.3487 8.6416 124.3106 57.1099 42.0393 177.8805 10 G 4.0712 9.6829 112.0435 44.9485 0.0000 173.4941 11 S 4.9321 8.3311 115.7682 56.9639 65.6302 172.8072 12 E 5.0915 8.8301 123.8429 55.3904 30.5228 175.0426 13 L 4.8356 9.4872 127.5404 53.5233 44.3011 175.4673 14 T 5.0290 8.4837 119.5530 62.4742 70.2172 173.8370 15 M 4.9135 9.3146 125.5896 54.1209 36.0307 173.7926 16 T 4.6867 8.6904 121.9511 62.2460 70.4961 173.9738 17 D 4.8642 9.3455 127.3141 52.7270 41.4844 176.3671 18 T 4.0650 8.4275 122.0678 65.3199 69.2624 177.5135 19 V 3.5847 8.1079 120.9876 65.5658 31.5963 176.7416 20 G 3.8081 8.3377 105.5834 44.8610 0.0000 172.9042 21 Q 3.4879 7.5117 118.7938 57.3670 28.2195 173.1725 22 V 4.8243 7.8976 107.3321 59.2501 36.5134 175.3494 23 V 5.0157 8.6750 122.0984 61.1528 34.6153 174.3940 24 L 5.2336 9.1888 126.7855 54.0832 44.6073 175.0817 25 G 4.5625 8.9129 107.0804 44.2758 0.0000 172.1055 26 W 5.5657 9.5339 123.8840 54.6598 32.8269 174.1849 27 K 5.3866 9.4907 126.0215 53.9929 34.2589 174.9133 28 V 4.6175 7.7463 126.0785 61.0099 34.6860 174.1932 29 S 4.6382 8.8202 120.8866 56.9117 67.3974 173.0202 30 D 4.4468 8.5392 116.2287 55.2332 37.8999 174.0027 31 L 4.8739 7.9339 120.8360 55.1855 42.7888 176.0777 32 K 4.0123 9.1946 124.5267 55.3753 36.2825 174.7634 33 S 2.7900 6.8298 115.9753 58.3619 62.5663 173.2102 34 S 4.8837 8.5444 121.6541 56.8986 64.2570 173.9268 35 T 4.2523 8.4601 113.0842 61.3079 69.5528 174.9654 36 A 3.9417 7.7516 126.1222 52.7023 18.7880 177.0446 37 V 4.2649 7.9130 121.0853 59.7845 32.8321 175.9011 38 I 3.6329 8.3333 126.2725 63.1073 38.2685 173.5444 39 P 5.0306 0.0000 0.0000 62.4191 31.0679 175.5085 40 G 3.8479 8.9893 105.6062 45.9666 0.0000 171.5283 41 Y 4.4684 7.6885 119.9347 55.2380 40.2214 174.7091 42 P 4.3598 0.0000 0.0000 60.9907 29.9684 175.0119 43 V 3.9754 7.7302 122.4557 64.1237 32.2849 175.3300 44 A 4.6491 9.8930 130.1583 52.6939 21.0683 177.1523 45 G 4.2447 8.2310 103.0158 46.4661 0.0000 174.8078 46 Q 4.8261 9.4503 128.1348 53.8028 31.1575 173.9580 47 V 4.4238 8.5262 126.6521 62.9336 32.9529 174.7717 48 W 5.3922 9.6287 127.5838 55.0134 32.7860 174.2321 49 E 5.2600 9.3912 118.4525 54.9949 33.1683 174.0031 50 A 5.4511 8.5125 120.6010 50.0362 23.7316 174.9782 51 T 4.8351 8.7958 116.0056 61.8490 70.7365 173.8396 52 A 5.2159 8.8271 128.4164 50.3434 22.5567 174.8878 53 T 5.2254 9.2767 117.7180 61.7472 72.5334 173.3450 54 V 3.9506 8.3715 126.0698 59.4888 34.1920 174.2674 55 N 5.0454 8.6203 121.8911 51.8368 41.7290 173.2898 56 A 4.4165 8.7183 129.5742 51.5595 17.7571 177.5064 57 I 3.8353 8.1704 121.8069 64.0136 38.5176 176.6192 58 R 4.5218 8.1476 122.3803 55.5530 33.0839 176.4139 59 G 4.2813 9.7595 113.4862 44.6984 0.0000 172.0321 60 S 4.7046 8.2747 113.6425 57.9728 64.1120 173.8326 61 V 4.4048 8.7421 123.2794 61.3331 34.4361 174.1808 62 T 4.9513 8.4734 124.5119 60.9715 69.6864 172.5870 63 P 4.5284 0.0000 0.0000 62.8259 32.6894 177.4042 64 A 4.4658 8.5736 126.4132 50.7232 17.6804 177.9147 65 V 3.6459 7.7002 123.5125 65.0642 32.3848 177.9057 66 S 4.1359 7.8857 112.6439 60.1211 62.8537 174.8167 67 Q 4.1672 7.8600 119.6783 56.6698 29.0598 175.8326 68 F 5.1031 7.7653 117.7086 57.6823 40.6187 174.3468 69 N 5.7525 9.2586 116.6076 52.2547 43.7279 173.1873 70 A 4.6617 8.8928 124.0798 50.2577 21.5607 176.0338 71 R 4.9876 8.8735 120.2475 54.5370 35.1970 174.8312 72 T 4.6156 8.2283 110.8984 60.3035 70.6149 175.8219 73 A 3.9957 8.6412 125.3439 55.1447 18.4700 178.6011 74 D 4.4161 7.8261 113.2484 53.7056 40.0689 176.8945 75 G 4.0492 7.7235 108.0181 45.0573 0.0000 174.0741 76 I 3.6788 7.9303 121.2618 61.2777 38.1279 174.5697 77 N 5.1714 8.2373 123.9713 51.8013 41.9156 172.8243 78 Y 4.9114 8.7098 123.2215 55.9829 40.9337 175.4972 79 R 4.9037 9.2591 123.8353 55.3863 31.0408 177.1921 80 V 3.6633 8.5410 122.6999 61.9553 31.9561 177.0123 81 L 4.4959 8.4218 125.4273 53.3630 39.0537 176.6520 82 W 4.4927 8.3571 117.4663 55.7413 29.8231 177.5902 83 Q 4.1589 8.6276 119.4881 58.5162 27.7352 176.0674 84 A 4.5074 7.0859 115.6148 53.1788 23.1453 177.6435 85 A 3.7257 8.2474 120.0905 51.2188 17.7334 178.5819 86 G 3.4827 5.3800 100.9738 44.0720 0.0000 171.9029 87 P 4.3564 0.0000 0.0000 63.9321 32.4441 175.7417 88 D 4.4211 8.8214 119.3011 55.5011 38.6551 173.7509 89 T 4.5059 7.8593 113.6119 63.3568 69.3554 175.1932 90 I 3.9688 8.1736 126.0367 61.5558 38.6441 175.5511 91 S 4.3507 8.7488 123.0235 58.1551 63.0377 173.8751 92 G 4.0040 8.7044 113.3797 45.3272 0.0000 173.8926 93 A 4.2009 7.7337 122.9681 51.8886 18.9621 178.0118 94 T 4.4079 8.3648 117.8162 63.6017 69.3511 173.9706 95 I 4.6964 8.8981 119.7185 58.1963 40.7384 173.5291 96 P 4.7380 0.0000 0.0000 62.0925 32.9535 175.3218 97 Q 4.2427 7.5820 123.7411 58.2853 29.1811 177.3532 98 G 3.9263 9.4376 113.9413 44.9874 0.0000 172.9164 99 E 4.6245 7.7825 119.0969 55.1703 32.2385 174.6438 100 Q 5.0368 8.2762 118.1894 54.5921 33.3800 174.9105 101 S 4.6273 8.8777 114.6520 57.1752 65.8949 172.6923 102 T 5.1212 9.1867 120.2368 59.9545 71.1288 172.8412 103 G 3.9806 7.8054 110.1610 46.5452 0.0000 171.6942 104 K 4.8708 8.3711 119.4667 55.4631 34.0040 176.4986 105 I 4.6633 7.9021 114.9576 59.2569 41.0985 173.8674 106 Y 5.1443 7.9063 119.9057 56.3698 42.0862 174.3565 107 F 5.1392 9.1095 118.3789 56.1263 44.0767 173.7648 108 D 4.9486 8.9201 121.8322 52.8792 41.7659 175.6478 109 V 2.8429 8.7767 128.2895 61.7546 32.0054 176.2230 110 T 4.5911 8.2810 117.4578 61.3558 70.3070 174.7765 111 G 4.1122 7.6317 113.5161 43.9537 0.0000 170.8826 112 P 4.3789 0.0000 0.0000 62.5574 32.0234 176.3045 113 S 3.7172 8.3498 117.4748 57.7813 63.3575 172.7941 114 P 4.5610 0.0000 0.0000 62.8378 32.0135 175.8785 115 T 4.7875 8.5002 106.8231 61.2489 70.4757 173.5832 116 I 4.9818 7.6034 122.3046 59.8202 41.9193 174.0382 117 V 4.9597 8.9695 124.6728 61.1334 34.7361 174.1739 118 A 5.4039 9.3969 128.2649 50.5816 22.8855 174.4881 119 M 4.8749 9.4186 121.4170 53.7712 34.2874 174.8099 120 N 5.2955 9.0991 122.5815 51.4499 42.5225 174.0775 121 N 4.6623 8.6809 122.2782 52.4993 37.6254 175.6692 122 G 4.0091 8.3319 109.0444 45.9301 0.0000 174.6939 123 M 4.2839 7.9317 118.1346 56.6411 33.4755 175.5400 124 E 4.6380 7.4858 113.6211 55.3396 31.9739 173.9657 125 D 4.6882 8.5547 119.8096 54.4814 41.6679 175.8528 126 L 4.2215 8.9929 123.9222 55.8158 43.8857 176.5737 127 L 5.0312 7.4944 117.1885 52.8879 46.0848 175.4784 128 I 5.0108 8.2283 122.9642 59.2952 41.5391 174.1501 129 W 5.2651 9.6701 127.0680 54.9142 31.5384 174.7700 130 E 5.1500 9.2101 122.2008 53.2924 33.3560 174.4896 131 P 4.4618 0.0000 0.0000 63.0503 31.3933 176.6147 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 S 8.33 4.36 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.41 3.91 1.11 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 0.00 0.00 3 Y 7.40 4.37 0.00 3.17 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 4 P 0.00 5.14 0.00 2.02 1.95 0.00 3.49 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.22 0.00 5 I 8.66 4.23 1.86 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 1.17 0.64 0.84 0.00 0.00 6 T 8.37 4.78 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 1.16 0.00 0.00 7 G 8.59 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 8 K 8.68 5.21 0.00 1.84 1.80 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.56 7.81 9 L 8.64 4.35 0.00 1.70 1.70 1.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 G 9.68 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 11 S 8.33 4.93 0.00 4.11 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 12 E 8.83 5.09 0.00 2.09 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 2.36 2.52 0.00 13 L 9.49 4.84 0.00 1.61 1.47 -0.10 0.35 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 14 T 8.48 5.03 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 15 M 9.31 4.91 0.00 2.15 2.03 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 2.60 2.59 0.00 16 T 8.69 4.69 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 17 D 9.35 4.86 0.00 2.75 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 18 T 8.43 4.07 4.26 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 1.22 0.00 0.00 19 V 8.11 3.58 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 0.78 0.00 0.00 0.94 0.00 0.00 20 G 8.34 3.81 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 0.00 0.00 0.00 21 Q 7.51 3.49 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 22 V 7.90 4.82 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 0.70 0.00 0.00 0.95 0.00 0.00 23 V 8.67 5.02 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 1.06 0.00 0.00 0.95 0.00 0.00 24 L 9.19 5.23 0.00 1.67 1.64 1.00 0.56 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 25 G 8.91 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.53 5.57 0.00 3.75 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 27 K 9.49 5.39 0.00 1.90 1.72 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.29 7.81 28 V 7.75 4.62 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 0.55 0.00 0.00 -0.52 0.00 0.00 29 S 8.82 4.64 0.00 3.87 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 30 D 8.54 4.45 0.00 2.82 2.71 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 31 L 7.93 4.87 0.00 1.68 1.68 1.11 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 K 9.19 4.01 0.00 1.49 1.70 0.00 1.25 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.15 7.81 33 S 6.83 2.79 0.00 3.09 3.33 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 34 S 8.54 4.88 0.00 4.01 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 35 T 8.46 4.25 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 1.16 0.00 0.00 36 A 7.75 3.94 1.09 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 0.00 0.00 37 V 7.91 4.26 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 0.74 0.00 0.00 0.89 0.00 0.00 38 I 8.33 3.63 1.82 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.17 0.73 0.00 0.00 39 P 0.00 5.03 0.00 2.31 1.53 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 40 G 8.99 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 0.00 0.00 0.00 41 Y 7.69 4.47 0.00 2.87 2.85 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 42 P 0.00 4.36 0.00 1.95 1.82 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.53 0.00 43 V 7.73 3.98 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 0.95 0.00 0.00 1.17 0.00 0.00 44 A 9.89 4.65 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 45 G 8.23 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 9.45 4.83 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 47 V 8.53 4.42 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 1.12 0.00 0.00 0.94 0.00 0.00 48 W 9.63 5.39 0.00 3.39 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.39 5.26 0.00 1.61 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 2.26 2.18 0.00 50 A 8.51 5.45 1.17 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 0.00 0.00 51 T 8.80 4.84 4.16 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 1.16 0.00 0.00 52 A 8.83 5.22 1.09 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 0.00 0.00 53 T 9.28 5.23 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 1.26 0.00 0.00 54 V 8.37 3.95 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 0.32 0.00 0.00 0.01 0.00 0.00 55 N 8.62 5.05 0.00 2.73 2.70 0.00 0.00 6.98 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.72 4.42 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 57 I 8.17 3.84 2.01 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 1.22 0.72 0.91 0.00 0.00 58 R 8.15 4.52 0.00 1.84 1.81 0.00 3.14 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 59 G 9.76 4.28 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 0.00 60 S 8.27 4.70 0.00 3.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.74 4.40 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 0.76 0.00 0.00 0.90 0.00 0.00 62 T 8.47 4.95 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 1.30 0.00 0.00 63 P 0.00 4.53 0.00 2.66 2.13 0.00 3.96 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 2.13 2.03 0.00 64 A 8.57 4.47 1.25 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 65 V 7.70 3.65 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 1.28 0.00 0.00 1.23 0.00 0.00 66 S 7.89 4.14 0.00 2.93 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 67 Q 7.86 4.17 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 68 F 7.77 5.10 0.00 3.10 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 69 N 9.26 5.75 0.00 2.76 2.80 0.00 0.00 6.91 7.23 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 70 A 8.89 4.66 -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 71 R 8.87 4.99 0.00 1.61 1.70 0.00 3.08 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 72 T 8.23 4.62 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 1.20 0.00 0.00 73 A 8.64 4.00 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 74 D 7.83 4.42 0.00 2.75 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 75 G 7.72 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 76 I 7.93 3.68 1.65 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 1.00 0.81 0.36 0.00 0.00 77 N 8.24 5.17 0.00 2.52 2.51 0.00 0.00 6.87 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 78 Y 8.71 4.91 0.00 2.82 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 79 R 9.26 4.90 0.00 1.92 2.08 0.00 3.74 0.00 0.00 3.97 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 80 V 8.54 3.66 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 0.97 0.00 0.00 0.77 0.00 0.00 81 L 8.42 4.50 0.00 1.34 1.26 0.47 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 82 W 8.36 4.49 0.00 3.38 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 83 Q 8.63 4.16 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 84 A 7.09 4.51 1.04 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 85 A 8.25 3.73 1.19 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 0.00 0.00 0.00 86 G 5.38 3.48 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 0.00 87 P 0.00 4.36 0.00 2.25 2.06 0.00 3.30 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 88 D 8.82 4.42 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.86 4.51 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 1.36 0.00 0.00 90 I 8.17 3.97 1.93 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 1.03 0.00 0.00 91 S 8.75 4.35 0.00 3.95 3.77 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 92 G 8.70 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 4.20 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 94 T 8.36 4.41 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 1.21 0.00 0.00 95 I 8.90 4.70 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.88 0.00 0.00 96 P 0.00 4.74 0.00 2.13 2.21 0.00 3.79 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 2.17 1.95 0.00 97 Q 7.58 4.24 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 98 G 9.44 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 99 E 7.78 4.62 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 100 Q 8.28 5.04 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 101 S 8.88 4.63 0.00 3.78 3.55 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 0.00 102 T 9.19 5.12 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 0.00 103 G 7.81 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 0.00 104 K 8.37 4.87 0.00 1.37 0.99 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.29 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.47 7.81 105 I 7.90 4.66 1.37 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.49 0.69 0.00 0.00 106 Y 7.91 5.14 0.00 2.71 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 0.00 107 F 9.11 5.14 0.00 2.97 2.91 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 0.00 108 D 8.92 4.95 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.78 2.84 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 0.29 0.00 0.00 -0.11 0.00 0.00 110 T 8.28 4.59 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 1.27 0.00 0.00 111 G 7.63 4.11 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 0.00 0.00 0.00 112 P 0.00 4.38 0.00 2.05 2.02 0.00 3.75 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 2.03 2.13 0.00 113 S 8.35 3.72 0.00 3.87 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.56 0.00 1.91 1.89 0.00 2.20 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.18 0.00 115 T 8.50 4.79 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 0.00 116 I 7.60 4.98 1.99 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 0.77 0.99 0.00 0.00 117 V 8.97 4.96 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 1.15 0.00 0.00 0.84 0.00 0.00 118 A 9.40 5.40 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 0.00 119 M 9.42 4.87 0.00 1.59 1.85 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 2.49 1.15 0.00 120 N 9.10 5.30 0.00 2.82 2.53 0.00 0.00 6.44 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.68 4.66 0.00 2.77 2.73 0.00 0.00 7.18 6.85 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 0.00 122 G 8.33 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 0.00 0.00 0.00 123 M 7.93 4.28 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 124 E 7.49 4.64 0.00 2.07 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 2.10 2.14 0.00 125 D 8.55 4.69 0.00 2.66 2.61 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 0.00 126 L 8.99 4.22 0.00 1.45 1.36 0.69 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.49 5.03 0.00 1.23 0.55 1.14 0.69 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 0.00 128 I 8.23 5.01 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.76 0.91 0.00 0.00 129 W 9.67 5.27 0.00 3.28 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 0.00 130 E 9.21 5.15 0.00 2.01 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 2.44 2.28 0.00 131 P 0.00 4.46 0.00 2.09 2.05 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00