NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4123 8.2893 120.3486 55.3530 33.0437 174.7597 2 N 4.6444 8.5794 124.0882 51.5293 38.8765 173.0219 3 I 4.5876 8.7958 121.0883 59.5954 41.9073 176.3035 4 I 4.3645 8.3392 124.1072 59.6241 38.4113 175.1219 5 K 4.4559 8.6000 124.7887 54.3830 34.1332 176.2018 6 A 4.5879 8.3944 126.3106 50.7457 21.3520 175.0468 7 N 5.0488 8.1686 116.8214 51.9315 41.3893 175.7436 8 V 3.8959 8.1905 114.6158 62.7906 32.2727 176.8270 9 A 4.2521 8.0314 123.5904 52.1094 18.6443 177.9114 10 A 4.5886 8.2195 122.2240 51.3212 21.3101 174.0858 11 P 4.7014 0.0000 0.0000 64.7792 32.2191 178.6499 12 D 4.7182 8.0756 116.1170 54.2571 40.6051 175.7953 13 A 4.6192 7.5590 125.1330 51.8558 20.2031 178.2510 14 R 4.8409 9.4714 120.7128 55.0710 32.7810 175.8299 15 V 4.9387 9.0213 124.4078 59.9865 34.9264 173.9164 16 A 4.9062 8.5032 128.5172 50.0781 21.5014 175.1412 17 I 4.7929 8.6638 123.9639 59.5989 39.3741 174.7018 18 T 4.9332 8.5823 117.7406 59.9569 70.8192 173.4117 19 I 5.1492 8.3918 126.4139 58.2178 40.6570 174.4133 20 A 5.0886 8.4280 127.7257 51.1928 19.3453 177.9519 21 R 4.4489 9.3417 119.5976 58.3423 30.2696 176.8704 22 F 4.6486 8.1691 121.7072 59.8294 39.7013 174.3348 23 N 4.6782 9.8601 124.0693 54.4916 35.5211 176.1642 24 Q 4.1642 8.2801 120.1962 59.3954 28.0984 177.8427 25 F 3.8064 8.4921 121.5394 61.1993 39.4229 176.5161 26 I 4.1894 8.2447 118.6343 63.8458 37.1255 177.7786 27 N 4.3591 8.2889 116.6449 56.3356 38.2785 176.8854 28 D 4.5080 8.8254 120.9778 57.6811 41.0164 178.8994 29 S 4.0745 7.9569 112.9241 60.9973 62.4401 175.4505 30 L 4.0737 7.7910 123.2499 58.6844 41.6899 178.2579 31 L 3.8557 8.4521 120.5089 57.6949 41.9153 178.6203 32 D 4.4950 8.5491 118.4599 57.3436 40.9703 179.8076 33 G 3.5399 8.2109 105.7718 47.7542 0.0000 175.3219 34 A 3.9238 7.8964 123.4341 54.6948 18.4458 179.3081 35 V 3.4533 7.8476 116.6040 66.3410 31.5647 177.3368 36 D 4.3050 8.0462 117.1168 57.7730 40.9421 177.7235 37 A 3.9157 8.3311 120.9259 55.8238 18.3354 179.0427 38 L 3.8566 8.5209 116.3696 59.1975 41.8479 179.9164 39 T 4.2075 8.2909 110.8004 64.1768 68.6573 176.3733 40 R 3.8591 8.1776 123.5572 58.2815 30.6478 178.0266 41 I 4.0561 8.0763 117.4333 63.6033 37.7393 177.1316 42 G 3.7461 7.9404 106.5571 45.2620 0.0000 173.9385 43 Q 3.7633 8.2807 119.9399 56.5301 28.0892 172.8058 44 V 3.8584 7.5295 116.7748 61.8783 32.2297 175.1758 45 K 4.2130 8.5704 128.8670 56.2384 32.5628 176.5840 46 D 4.6916 8.8039 124.4297 54.0070 39.1475 176.1885 47 D 4.7904 7.9829 117.1868 53.7601 40.0744 176.3219 48 N 4.7154 8.5481 117.7379 53.6402 39.3345 174.0903 49 I 4.8678 7.5878 120.3002 60.2852 38.4280 175.1960 50 T 4.7025 8.8530 117.3792 59.7052 71.8753 172.9642 51 V 4.6179 8.4374 124.0249 61.0417 33.9902 174.5383 52 V 4.2936 9.0201 129.2776 60.7928 33.6773 174.6127 53 W 4.8980 8.9881 129.1817 56.5952 29.4315 176.5013 54 V 4.3826 8.7010 119.3407 59.2064 33.5697 175.1544 55 P 4.3171 0.0000 0.0000 65.2686 31.4947 176.8697 56 G 4.4829 7.9970 108.6840 42.7585 0.0000 174.0491 57 A 4.0990 8.4808 120.5890 54.7262 18.1126 179.2868 58 Y 4.2065 8.1525 117.1277 60.6279 39.2644 177.3376 59 E 4.1214 8.2925 119.1616 58.1547 29.6301 178.7633 60 L 3.8640 7.4775 119.5983 58.0345 41.6299 177.0479 61 P 4.1770 0.0000 0.0000 64.7762 31.1453 177.9971 62 L 3.8111 7.6907 117.9563 58.4590 42.3614 179.2760 63 A 3.9857 7.8130 120.1117 55.6305 18.3003 179.8315 64 T 3.8137 8.1378 108.3312 64.5562 68.7341 176.1361 65 E 3.8451 8.8619 122.4404 59.1583 29.5810 178.2650 66 A 3.9923 7.9907 120.5956 55.6227 18.1860 179.5731 67 L 4.0684 7.6048 114.9006 57.9747 41.9539 179.4835 68 A 4.2283 8.4449 121.0270 55.1085 18.1873 179.8433 69 K 3.9527 8.3386 116.4501 59.5797 32.1482 178.9746 70 S 4.1963 8.2273 113.1724 59.4858 62.2227 175.9457 71 G 3.9571 8.4569 110.4352 46.3300 0.0000 176.1087 72 K 3.8482 7.6637 120.1596 56.3670 31.8340 182.1580 73 Y 5.1289 6.9931 113.7635 56.8588 40.6471 175.4285 74 D 4.7418 9.2207 122.0074 56.1074 41.9134 176.4605 75 A 4.5716 7.4385 117.2145 51.1407 22.5777 175.0962 76 V 4.7584 8.2588 119.8833 61.1449 34.6026 174.4913 77 V 4.3568 8.7776 128.3386 61.5175 33.3470 174.1959 78 A 4.8999 8.6182 130.3380 49.7758 20.6869 175.2715 79 L 5.2569 7.8650 123.0870 52.5978 44.5263 176.4229 80 G 4.2110 7.6418 108.4935 46.0401 0.0000 171.8150 81 T 5.0596 8.5479 116.0949 61.5030 71.9892 174.3333 82 V 4.2209 8.9548 125.1465 61.3256 34.1420 173.9440 83 I 4.7168 8.2061 128.7614 59.7561 38.5885 175.9852 84 R 3.6781 8.4172 127.7479 56.5205 30.2677 176.4097 85 G 4.3839 8.3749 116.2870 44.4112 0.0000 173.0828 86 G 3.6495 8.7672 107.7644 47.3966 0.0000 173.2962 87 T 4.5254 7.6108 108.4061 59.7654 71.5916 173.4625 88 A 4.5036 8.3597 121.2922 52.7185 18.9359 178.6852 89 H 4.3008 8.3306 120.3634 60.3197 29.7687 176.9093 90 F 4.0275 8.4707 122.0283 61.5319 38.9882 176.5912 91 E 3.6004 7.9277 118.1909 59.6020 29.3723 178.4393 92 Y 4.3115 7.3967 115.8552 60.7458 38.1988 177.6275 93 V 3.6637 7.6504 119.2266 65.8784 31.6095 177.8679 94 A 4.0915 7.7896 120.1743 55.0029 18.0920 179.7873 95 G 3.5917 8.0623 104.6970 47.8608 0.0000 176.1383 96 G 3.8674 8.5715 108.2086 45.8254 0.0000 174.7765 97 A 4.2948 7.8333 122.5102 54.2175 19.7488 179.0895 98 S 4.1274 8.2585 111.8188 61.8635 62.3698 176.2934 99 N 4.4234 8.4619 119.3216 55.9699 38.3240 177.4125 100 G 3.7335 7.7036 106.2366 48.0398 0.0000 175.4937 101 L 3.9926 7.9939 121.6863 57.2519 41.7953 179.5096 102 A 3.9813 8.0978 120.5967 55.1660 18.2650 179.5569 103 S 3.9373 8.3302 111.7111 61.5150 62.4546 176.1422 104 V 3.5392 7.7846 120.7115 66.2149 31.1234 177.6553 105 A 4.3442 7.8142 121.1974 54.8316 18.0321 179.4134 106 Q 3.8995 7.7124 116.3106 59.2024 29.1100 177.8000 107 D 4.5505 7.9704 119.3088 56.7862 41.3335 178.4023 108 S 4.3705 8.3610 112.8559 58.5073 63.5246 175.5828 109 G 3.8938 8.0978 109.4501 45.8595 0.0000 173.8736 110 V 3.9432 7.4828 121.0063 61.7527 33.0221 173.6246 111 P 4.5536 0.0000 0.0000 62.5956 32.5890 175.1991 112 V 4.9213 8.3464 123.1618 61.0253 34.1008 174.2686 113 A 4.4007 8.9185 130.4929 51.0620 20.2374 176.4297 114 F 4.7431 8.9673 126.9191 56.2288 38.2477 175.9297 115 G 3.9394 8.1052 118.0879 45.0319 0.0000 171.1836 116 V 4.5903 6.1401 117.8103 60.5441 33.7201 176.0015 117 L 4.2611 8.7290 129.5123 55.0966 42.7559 176.6495 118 T 4.9990 8.5067 113.0018 59.8830 68.8571 172.6057 119 T 4.5962 8.6968 121.1938 61.0717 71.9520 175.1954 120 E 4.1630 9.8247 120.6299 57.2288 30.6185 177.1782 121 S 4.6996 7.5848 111.9695 55.5790 67.6130 174.7914 122 I 3.6795 8.2398 123.1511 64.3082 36.5989 177.9098 123 E 3.9183 8.2102 118.9353 59.7942 29.6769 178.6418 124 Q 4.2921 8.0765 117.3290 58.8765 28.8643 178.6389 125 A 4.0106 7.8192 121.5602 55.4270 18.2968 179.7470 126 I 3.7628 7.9195 118.1339 64.6228 37.1017 178.5488 127 E 4.5403 8.1232 120.6401 58.1221 29.3013 178.4111 128 R 4.5206 7.8931 115.5893 55.7229 30.4547 176.7654 129 A 4.7818 7.2091 121.8772 52.6804 19.4905 177.0840 130 G 4.4530 7.9598 107.9731 48.0853 0.0000 175.3628 131 T 4.5782 7.5681 114.9003 59.9967 68.9436 175.8271 132 K 3.7980 9.1487 117.0536 59.2921 31.8503 177.8801 133 A 4.5938 7.7606 119.4249 51.9820 20.0527 178.7537 134 G 3.7598 8.2539 111.0066 47.1805 0.0000 173.7180 135 N 5.2840 8.2271 117.2342 50.8681 40.8505 175.6032 136 K 4.0092 8.9254 128.7387 59.0686 32.0661 178.9762 137 G 4.0675 8.2881 107.8142 47.3428 0.0000 175.6131 138 A 4.0294 7.8769 123.3403 54.2605 18.4530 179.2708 139 E 3.8570 8.3771 117.9867 59.3371 29.7577 178.8587 140 A 4.0427 8.5564 122.4183 54.4673 18.5257 179.3234 141 A 3.9119 8.2171 119.5509 55.3617 18.3608 179.9205 142 L 3.9375 8.0306 117.5813 58.2064 41.2618 179.9442 143 T 3.8500 8.1286 109.2894 64.4195 68.5134 176.2879 144 A 3.9735 7.9381 124.0448 55.0294 18.5240 179.1213 145 L 3.8943 7.7773 116.7991 58.2055 41.7791 179.3694 146 E 4.1895 8.3320 120.3395 58.9991 29.4554 178.8437 147 M 4.0329 7.9496 117.9739 58.4304 31.9636 178.3693 148 I 3.6752 7.7922 119.9154 64.8923 37.2837 178.1115 149 N 4.3260 8.0057 116.2414 56.3105 38.1655 177.5839 150 V 3.5900 7.9110 118.9485 66.0297 31.7728 177.9360 151 L 4.0847 8.4510 118.9642 57.7840 41.4144 179.0859 152 K 3.8453 8.1677 118.4981 59.6351 32.0512 177.4269 153 A 4.4358 8.1766 120.0284 51.7364 19.0470 177.2772 154 I 3.8726 7.8164 120.8706 63.2169 37.7566 173.9459 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 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.64 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.80 4.59 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.34 4.36 1.87 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 1.41 0.60 0.91 0.00 0.00 5 K 8.60 4.46 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.59 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 7 N 8.17 5.05 0.00 2.73 2.64 0.00 0.00 6.87 7.71 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 8 V 8.19 3.90 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 0.80 0.00 0.00 0.93 0.00 0.00 9 A 8.03 4.25 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 10 A 8.22 4.59 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 11 P 0.00 4.70 0.00 2.23 2.37 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.08 4.72 0.00 2.69 2.72 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 13 A 7.56 4.62 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 14 R 9.47 4.84 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 9.02 4.94 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 0.91 0.00 0.00 0.95 0.00 0.00 16 A 8.50 4.91 0.30 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 17 I 8.66 4.79 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.89 0.69 0.00 0.00 18 T 8.58 4.93 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.39 5.15 0.73 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.10 0.34 0.00 0.00 20 A 8.43 5.09 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 21 R 9.34 4.45 0.00 2.09 2.51 0.00 2.86 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 22 F 8.17 4.65 0.00 3.17 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 23 N 9.86 4.68 0.00 2.97 3.00 0.00 0.00 6.88 8.06 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 24 Q 8.28 4.16 0.00 2.54 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.49 3.81 0.00 3.14 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.24 4.19 2.14 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 1.67 0.91 0.95 0.00 0.00 27 N 8.29 4.36 0.00 2.87 2.93 0.00 0.00 7.06 8.08 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 28 D 8.83 4.51 0.00 2.67 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 29 S 7.96 4.07 0.00 3.81 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 30 L 7.79 4.07 0.00 1.93 1.64 0.94 0.54 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 31 L 8.45 3.86 0.00 1.79 1.78 0.77 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.55 4.50 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 33 G 8.21 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 0.00 0.00 0.00 34 A 7.90 3.92 1.32 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 0.00 0.00 35 V 7.85 3.45 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 0.98 0.00 0.00 0.94 0.00 0.00 36 D 8.05 4.30 0.00 2.86 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 37 A 8.33 3.92 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 38 L 8.52 3.86 0.00 1.86 1.73 0.89 0.58 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 39 T 8.29 4.21 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 1.27 0.00 0.00 40 R 8.18 3.86 0.00 1.80 2.24 0.00 3.24 0.00 0.00 3.46 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 8.08 4.06 2.07 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 1.23 0.96 0.91 0.00 0.00 42 G 7.94 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 43 Q 8.28 3.76 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.53 3.86 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 0.88 0.00 0.00 1.03 0.00 0.00 45 K 8.57 4.21 0.00 1.80 1.68 0.00 1.93 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.69 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.98 4.79 0.00 2.78 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 48 N 8.55 4.72 0.00 2.87 2.99 0.00 0.00 6.92 7.25 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 49 I 7.59 4.87 1.88 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 1.40 0.52 0.89 0.00 0.00 50 T 8.85 4.70 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 1.51 0.00 0.00 51 V 8.44 4.62 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 0.50 0.00 0.00 0.84 0.00 0.00 52 V 9.02 4.29 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.99 4.90 0.00 3.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.70 4.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.08 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.32 0.00 3.74 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 2.16 2.04 0.00 56 G 8.00 4.48 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 57 A 8.48 4.10 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 58 Y 8.15 4.21 0.00 2.92 3.09 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 59 E 8.29 4.12 0.00 1.99 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 2.64 2.58 0.00 60 L 7.48 3.86 0.00 1.73 1.68 0.87 1.38 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 61 P 0.00 4.18 0.00 2.02 1.95 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 62 L 7.69 3.81 0.00 1.63 1.67 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.81 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.14 3.81 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 1.26 0.00 0.00 65 E 8.86 3.85 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 66 A 7.99 3.99 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 67 L 7.60 4.07 0.00 1.78 1.66 0.65 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.44 4.23 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 69 K 8.34 3.95 0.00 1.84 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.60 7.81 70 S 8.23 4.20 0.00 3.90 4.22 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 71 G 8.46 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 72 K 7.66 3.85 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.29 7.81 73 Y 6.99 5.13 0.00 2.96 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 74 D 9.22 4.74 0.00 2.55 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 75 A 7.44 4.57 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 76 V 8.26 4.76 2.03 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 0.96 0.00 0.00 0.84 0.00 0.00 77 V 8.78 4.36 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.62 4.90 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 79 L 7.86 5.26 0.00 1.38 1.40 0.80 0.68 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 80 G 7.64 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 0.00 0.00 0.00 0.00 81 T 8.55 5.06 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 1.19 0.00 0.00 82 V 8.95 4.22 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 0.92 0.00 0.00 0.87 0.00 0.00 83 I 8.21 4.72 1.85 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 1.24 0.68 0.88 0.00 0.00 84 R 8.42 3.68 0.00 0.67 1.38 0.00 3.05 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.37 4.38 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 0.00 86 G 8.77 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 87 T 7.61 4.53 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 1.24 0.00 0.00 88 A 8.36 4.50 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 89 H 8.33 4.30 0.00 3.27 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.47 4.03 0.00 3.10 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 91 E 7.93 3.60 0.00 1.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 92 Y 7.40 4.31 0.00 3.00 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 93 V 7.65 3.66 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.75 0.00 0.00 94 A 7.79 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.06 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 96 G 8.57 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.83 4.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.26 4.13 0.00 3.71 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 99 N 8.46 4.42 0.00 2.88 2.83 0.00 0.00 6.96 7.64 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 0.00 100 G 7.70 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.99 3.99 0.00 2.04 1.82 1.02 1.05 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 0.00 102 A 8.10 3.98 1.32 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 0.00 0.00 103 S 8.33 3.94 0.00 3.97 4.03 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 0.00 104 V 7.78 3.54 2.21 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 1.06 0.00 0.00 0.97 0.00 0.00 105 A 7.81 4.34 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.71 3.90 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 107 D 7.97 4.55 0.00 2.70 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 0.00 108 S 8.36 4.37 0.00 4.02 4.03 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 0.00 109 G 8.10 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 0.00 110 V 7.48 3.94 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 0.96 0.00 0.00 0.99 0.00 0.00 111 P 0.00 4.55 0.00 2.12 1.96 0.00 3.78 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 2.12 2.09 0.00 112 V 8.35 4.92 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 0.81 0.00 0.00 0.98 0.00 0.00 113 A 8.92 4.40 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 0.00 114 F 8.97 4.74 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.11 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 6.14 4.59 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 0.66 0.00 0.00 -0.05 0.00 0.00 117 L 8.73 4.26 0.00 1.62 1.58 0.92 0.68 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 0.00 118 T 8.51 5.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 119 T 8.70 4.60 4.40 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 1.24 0.00 0.00 120 E 9.82 4.16 0.00 1.96 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 2.30 2.30 0.00 121 S 7.58 4.70 0.00 3.95 3.86 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 0.00 0.00 0.00 122 I 8.24 3.68 1.84 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 1.47 0.74 0.87 0.00 0.00 123 E 8.21 3.92 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.08 4.29 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.82 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.92 3.76 2.01 0.00 0.00 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 1.87 0.96 0.99 0.00 0.00 127 E 8.12 4.54 0.00 2.29 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 2.34 2.38 0.00 128 R 7.89 4.52 0.00 1.89 1.94 0.00 3.11 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.21 4.78 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 0.00 130 G 7.96 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 0.00 0.00 0.00 0.00 131 T 7.57 4.58 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 1.27 0.00 0.00 132 K 9.15 3.80 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.76 4.59 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 0.00 134 G 8.25 3.76 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 0.00 0.00 0.00 135 N 8.23 5.28 0.00 2.69 2.65 0.00 0.00 6.93 7.06 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 0.00 136 K 8.93 4.01 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.29 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 0.00 138 A 7.88 4.03 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 0.00 139 E 8.38 3.86 0.00 2.04 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 0.00 2.31 2.33 0.00 140 A 8.56 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.22 3.91 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 0.00 142 L 8.03 3.94 0.00 2.01 1.72 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.13 3.85 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 1.25 0.00 0.00 144 A 7.94 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 0.00 145 L 7.78 3.89 0.00 1.88 1.90 0.97 0.76 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 0.00 146 E 8.33 4.19 0.00 2.01 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 2.31 2.23 0.00 147 M 7.95 4.03 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 148 I 7.79 3.68 2.05 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 1.68 0.92 0.92 0.00 0.00 149 N 8.01 4.33 0.00 2.96 2.86 0.00 0.00 6.75 7.93 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 0.00 150 V 7.91 3.59 2.22 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 0.83 0.00 0.00 0.99 0.00 0.00 151 L 8.45 4.08 0.00 1.92 1.69 0.92 0.79 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 0.00 152 K 8.17 3.85 0.00 1.82 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.18 4.44 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.82 3.87 1.87 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 1.16 0.71 0.91 0.00 0.00