NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9368 8.3544 109.7334 44.0486 0.0000 174.4784 2 S 5.5161 7.5997 126.9219 58.7968 62.1244 176.0112 3 K 4.2582 7.5076 118.2187 54.6892 33.8146 175.3573 4 V 3.3871 8.3116 121.8815 61.3633 30.5083 175.1645 5 E 3.7753 8.7298 126.1308 56.2551 29.3835 176.5211 6 D 4.1432 8.5273 126.7670 53.7733 41.3382 174.5849 7 P 4.4113 0.0000 0.0000 62.3826 31.9034 176.4439 8 K 4.2432 8.5695 122.0056 57.5637 32.7399 175.8040 9 D 4.8341 7.3895 116.1966 54.0008 44.3932 174.8421 10 F 4.2015 9.2554 118.7037 56.9598 39.8838 173.4621 11 P 4.5816 0.0000 0.0000 62.1936 32.3547 177.5034 12 S 4.1595 8.8167 115.9121 61.7556 62.1830 176.5743 13 E 3.9907 8.2428 121.7463 59.0033 29.6385 177.7771 14 L 4.6583 8.1863 116.5395 54.8930 41.8231 177.5569 15 L 4.6324 7.3393 118.1292 55.2548 41.5222 177.9240 16 S 4.2400 7.1566 114.7022 60.1673 63.0690 175.2868 17 F 5.0126 7.3942 114.0992 55.6506 38.1293 172.4831 18 L 4.6681 7.6374 127.5066 54.2613 46.1770 176.0513 19 S 4.1852 8.3442 112.3632 60.8455 62.7465 175.0336 20 H 4.0417 8.4569 113.4607 56.0868 25.2874 174.3644 21 A 4.5158 7.5810 118.2412 51.4071 21.8874 176.8640 22 V 4.1907 8.1014 119.2363 63.2369 34.0570 176.5082 23 F 5.2442 7.3102 117.6326 56.6885 38.6294 174.7062 24 S 4.4756 7.8034 114.8736 58.4236 63.4876 172.5732 25 N 4.9600 8.5668 117.8681 52.8924 38.5183 175.1553 26 R 4.6714 7.7755 116.5599 54.4129 33.1205 175.1350 27 T 4.5772 8.3692 111.3508 60.7592 70.0444 173.9671 28 L 4.5775 8.7910 126.4282 52.6221 44.6255 176.6976 29 A 4.9506 7.9938 121.2723 50.6908 21.0943 174.8090 30 C 4.8151 6.7106 117.5272 58.7630 35.1703 172.8959 31 F 4.9683 8.4235 123.0530 55.6392 43.7387 173.5129 32 A 5.1348 8.9543 123.4798 50.3822 21.3080 175.5253 33 I 4.4651 8.9891 123.8087 61.6993 39.2313 175.0462 34 Y 5.3407 8.5486 126.8402 56.7340 41.2757 174.1133 35 T 3.9458 8.6011 116.1243 60.2899 72.9470 172.8170 36 T 4.3002 6.8740 112.1997 61.6907 69.4494 175.1405 37 K 3.9828 8.8721 122.4179 60.3844 32.4179 178.6779 38 E 3.9078 8.2518 119.1279 58.7641 29.6901 178.3997 39 K 4.0927 7.7317 117.8237 59.6328 32.4274 178.7044 40 A 4.0423 7.9103 120.1489 55.0523 17.8358 179.4472 41 A 4.0059 8.0515 119.5709 55.1425 18.4073 179.7353 42 L 3.9997 7.9340 117.5318 57.5713 41.9149 179.2235 43 L 4.1803 7.8128 117.7779 56.8962 41.7318 178.4163 44 Y 3.7996 8.0842 120.3658 60.7566 38.6415 178.0168 45 K 4.3012 7.7871 118.4751 59.5572 32.4716 179.0676 46 K 4.1364 8.1012 119.1015 59.2212 32.0211 179.1400 47 I 3.9456 8.3063 120.3454 64.6921 36.9196 177.9314 48 M 3.9533 7.5167 118.0084 57.9604 31.9908 176.2532 49 E 4.6012 8.1100 115.3008 55.3941 31.0002 175.8401 50 K 4.0580 8.0888 118.4265 58.8293 32.6247 176.8392 51 Y 4.6967 7.7005 112.9596 56.9566 40.2146 175.0785 52 S 3.7055 8.4892 113.7469 59.4724 60.6366 173.4429 53 V 4.5107 7.6732 110.8497 61.9363 31.7000 178.0634 54 T 4.0705 8.6672 121.5409 64.8018 68.8262 174.0220 55 F 4.8066 7.0090 120.8108 57.7145 44.3216 172.3304 56 I 4.9064 7.6248 127.1976 58.4025 40.3281 173.6859 57 S 5.3175 7.9742 124.1371 56.5818 65.9601 172.3876 58 R 4.7920 9.0835 127.9605 55.9146 31.1842 174.9675 59 H 5.3710 8.8848 122.8264 54.1974 32.9409 172.6848 60 N 5.3426 8.6924 116.0921 53.1211 40.9751 173.7609 61 S 4.4606 9.1825 115.7211 58.3298 64.7514 174.3519 62 Y 4.4919 8.7892 114.0687 58.4821 41.1742 176.1927 63 N 5.0534 8.3839 111.7724 53.0418 41.3544 173.7142 64 H 4.9059 7.8721 115.5715 55.0321 32.1720 171.5288 65 N 5.5703 8.8297 116.8848 52.8134 43.4992 174.1244 66 I 4.5455 8.3389 122.0166 59.7135 39.0232 175.2482 67 L 4.5672 8.8231 131.4867 54.3110 42.1088 175.5531 68 F 5.3434 9.2939 129.7722 58.1748 41.0975 174.5493 69 F 5.4680 8.6142 116.5319 57.4107 40.7927 173.7836 70 L 4.6608 8.2366 125.8280 54.8425 44.2770 175.6259 71 T 4.8013 8.4665 107.4743 61.3814 71.6833 171.6443 72 P 4.5019 0.0000 0.0000 64.1493 32.0136 177.6366 73 H 4.2717 8.3773 116.2108 55.3384 29.1946 174.4301 74 R 4.7122 8.2917 117.7390 55.0789 32.0545 175.7573 75 H 5.1277 8.4716 115.8828 54.4718 32.6215 172.6833 76 R 4.7506 8.7085 118.8185 55.5550 31.3728 177.9327 77 V 4.0477 8.9074 121.9288 65.8328 31.1945 178.6066 78 S 4.4388 8.1828 112.8994 61.5068 63.4009 175.9273 79 A 4.1817 8.1794 124.3901 55.1666 18.4392 179.7807 80 I 3.6308 7.7927 117.6980 64.3763 37.0591 178.0477 81 N 4.4409 8.3699 118.0826 56.4403 38.5320 176.4710 82 N 4.4567 8.1097 118.0299 56.9262 39.2822 175.4997 83 Y 4.5160 8.0504 121.1109 59.8175 39.1722 176.6401 84 A 3.4958 7.9895 121.1328 55.3864 18.3498 179.5214 85 Q 3.8909 8.0151 117.1379 59.0206 29.2586 177.9281 86 K 4.0796 8.0979 119.4455 58.0346 33.3027 177.4588 87 L 4.8539 7.3605 120.5403 54.1459 39.3932 175.5510 88 C 4.2720 7.3119 112.2523 59.5144 32.6677 173.7524 89 T 4.4263 6.7225 105.1308 60.8974 68.7202 174.2094 90 F 4.8988 6.8864 112.6016 55.7881 39.2666 174.1620 91 S 4.7480 7.0845 116.2220 58.6031 65.6295 175.7208 92 F 4.4773 8.2740 117.1890 57.1658 38.5697 173.9316 93 L 3.8214 7.8655 120.2330 53.6028 44.7652 175.2873 94 I 4.8502 7.8971 125.5820 60.1285 37.4603 173.8428 95 C 4.9409 8.0017 122.4865 58.9652 33.1792 173.2296 96 K 4.7634 9.0432 123.8896 55.1012 37.1191 175.5061 97 G 4.1279 8.4824 109.0102 45.4078 0.0000 173.1929 98 V 4.3643 7.5657 118.3626 61.3875 33.8744 175.0084 99 N 4.3599 8.8881 124.5164 54.7813 39.5196 175.4442 100 K 4.1728 7.3897 119.9546 54.2601 31.6282 176.2424 101 E 3.8079 7.5668 123.5101 57.7545 28.9959 178.4608 102 Y 3.9821 5.3700 121.9147 61.1187 39.8991 178.0508 103 L 4.0728 8.1475 120.5639 58.7260 42.0371 178.0272 104 M 2.6081 7.2267 116.2987 59.0031 32.3275 177.6730 105 Y 4.3258 8.4256 118.7102 61.3102 39.0443 178.5164 106 S 4.0464 8.2694 113.4874 61.4039 62.4100 175.9350 107 A 4.2835 8.0446 122.2101 54.4774 18.2894 178.6923 108 L 3.8784 7.5411 117.1855 57.1367 41.9652 178.8237 109 T 4.0073 7.4601 108.6421 62.6624 69.5955 175.0828 110 R 4.3630 7.4604 121.4394 54.7154 31.1950 175.7229 111 D 4.7015 8.6918 122.5323 54.1321 41.4369 175.0865 112 P 4.3000 0.0000 0.0000 63.2376 31.4440 176.0922 113 F 4.4749 7.4040 118.5408 57.6564 39.2723 175.7458 114 S 4.6828 8.5034 120.9861 57.4752 65.2949 173.2295 115 V 4.4568 8.2409 119.1842 61.8716 33.7669 173.3824 116 I 4.5024 8.4074 122.3676 61.9692 39.2648 175.4401 117 E 5.0040 7.6704 118.7239 55.2300 34.6284 173.3910 118 E 5.8443 8.4471 116.5169 56.7055 31.6058 175.3307 119 S 4.5504 8.5387 116.2103 60.5254 63.0709 174.6989 120 L 4.4643 8.4117 118.8586 53.5368 42.2114 175.1491 121 P 4.4623 0.0000 0.0000 65.3802 32.2117 177.5195 122 G 4.0179 7.7843 107.5255 44.3154 0.0000 172.9465 123 G 3.5616 7.9267 107.4289 43.5250 0.0000 172.0897 124 L 3.4616 5.6815 118.3897 53.9667 43.2140 175.8476 125 K 4.2909 6.3658 116.4735 57.5504 36.3997 174.5387 126 E 4.2373 8.9344 114.1525 58.4374 29.9965 176.8750 127 H 4.6094 8.0042 113.8348 55.8447 29.3824 174.6939 128 D 4.4463 7.5992 118.1422 55.7336 43.3885 175.9367 129 F 4.8703 6.9537 118.5469 57.2975 40.8029 174.4458 130 N 5.0369 8.5249 114.3570 52.9485 39.1879 174.7863 131 P 4.5978 0.0000 0.0000 62.2449 31.0222 179.6970 132 E 4.1899 7.7212 117.8503 57.7809 28.5680 180.0600 133 S 3.4430 8.5959 117.2012 59.1551 64.4349 173.3288 134 S 4.2861 8.7641 114.7037 57.9298 63.0385 174.8425 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 G 8.35 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 2 S 7.60 5.52 0.00 3.98 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 3 K 7.51 4.26 0.00 1.77 1.71 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.41 7.81 4 V 8.31 3.39 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 0.75 0.00 0.00 0.91 0.00 0.00 5 E 8.73 3.78 0.00 1.90 1.91 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 2.26 2.32 0.00 6 D 8.53 4.14 0.00 2.56 2.35 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 7 P 0.00 4.41 0.00 2.51 2.19 0.00 2.74 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 2.03 0.00 8 K 8.57 4.24 0.00 1.77 1.93 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 9 D 7.39 4.83 0.00 2.76 2.80 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 10 F 9.26 4.20 0.00 3.00 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 11 P 0.00 4.58 0.00 2.42 2.23 0.00 3.80 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 12 S 8.82 4.16 0.00 4.05 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 0.00 13 E 8.24 3.99 0.00 2.18 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 14 L 8.19 4.66 0.00 1.84 1.88 -0.50 0.30 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 15 L 7.34 4.63 0.00 1.75 1.70 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.16 4.24 0.00 3.09 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 17 F 7.39 5.01 0.00 2.94 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 18 L 7.64 4.67 0.00 1.46 1.10 0.57 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.34 4.19 0.00 3.68 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 20 H 8.46 4.04 0.00 3.36 3.37 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.58 4.52 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 22 V 8.10 4.19 1.13 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 0.85 0.00 0.00 0.59 0.00 0.00 23 F 7.31 5.24 0.00 3.10 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 24 S 7.80 4.48 0.00 3.86 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 25 N 8.57 4.96 0.00 2.77 2.82 0.00 0.00 6.74 7.69 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 26 R 7.78 4.67 0.00 1.75 1.78 0.00 3.17 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 27 T 8.37 4.58 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 28 L 8.79 4.58 0.00 1.34 0.98 0.91 0.48 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 29 A 7.99 4.95 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 30 C 6.71 4.82 0.00 2.78 2.40 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 31 F 8.42 4.97 0.00 2.14 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.95 5.13 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 33 I 8.99 4.47 2.12 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.09 0.88 0.00 0.00 34 Y 8.55 5.34 0.00 1.82 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.60 3.95 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 1.02 0.00 0.00 36 T 6.87 4.30 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 37 K 8.87 3.98 0.00 2.04 2.17 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.52 7.81 38 E 8.25 3.91 0.00 2.00 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 2.26 2.37 0.00 39 K 7.73 4.09 0.00 1.91 1.69 0.00 1.36 0.00 0.00 1.36 0.00 0.00 2.54 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.63 1.81 7.81 40 A 7.91 4.04 1.43 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 41 A 8.05 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.93 4.00 0.00 1.80 1.67 0.73 0.29 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 43 L 7.81 4.18 0.00 1.56 1.39 0.67 0.69 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 44 Y 8.08 3.80 0.00 3.28 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 45 K 7.79 4.30 0.00 1.71 1.92 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.55 7.81 46 K 8.10 4.14 0.00 2.04 1.99 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.75 7.81 47 I 8.31 3.95 1.76 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 1.03 0.00 0.00 48 M 7.52 3.95 0.00 2.16 2.39 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 49 E 8.11 4.60 0.00 1.94 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 2.19 2.21 0.00 50 K 8.09 4.06 0.00 1.79 1.96 0.00 1.24 0.00 0.00 1.38 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 0.94 7.81 51 Y 7.70 4.70 0.00 3.14 3.07 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 52 S 8.49 3.71 0.00 4.06 3.95 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 53 V 7.67 4.51 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 1.37 0.00 0.00 0.92 0.00 0.00 54 T 8.67 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 1.28 0.00 0.00 55 F 7.01 4.81 0.00 3.05 2.86 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 56 I 7.62 4.91 1.56 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 1.43 0.32 0.00 0.00 57 S 7.97 5.32 0.00 3.84 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 58 R 9.08 4.79 0.00 2.06 1.83 0.00 3.20 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 59 H 8.88 5.37 0.00 3.07 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.69 5.34 0.00 2.70 2.69 0.00 0.00 7.07 7.07 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 61 S 9.18 4.46 0.00 4.12 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 62 Y 8.79 4.49 0.00 2.95 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 63 N 8.38 5.05 0.00 2.51 2.62 0.00 0.00 6.68 8.16 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 64 H 7.87 4.91 0.00 3.70 3.56 0.00 5.57 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.83 5.57 0.00 2.70 2.86 0.00 0.00 7.43 7.08 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 66 I 8.34 4.55 1.73 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 0.71 0.71 0.62 0.00 0.00 67 L 8.82 4.57 0.00 1.87 1.65 1.17 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.29 5.34 0.00 3.32 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 69 F 8.61 5.47 0.00 3.03 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 70 L 8.24 4.66 0.00 1.71 1.70 0.84 0.73 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 71 T 8.47 4.80 4.61 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 1.39 0.00 0.00 72 P 0.00 4.50 0.00 2.31 2.12 0.00 4.08 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 73 H 8.38 4.27 0.00 3.39 3.50 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.29 4.71 0.00 1.74 1.89 0.00 3.21 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 75 H 8.47 5.13 0.00 3.34 3.51 0.00 5.25 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.71 4.75 0.00 1.90 1.99 0.00 3.28 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.69 0.00 77 V 8.91 4.05 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 1.27 0.00 0.00 1.07 0.00 0.00 78 S 8.18 4.44 0.00 4.18 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 0.00 79 A 8.18 4.18 1.49 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 0.00 0.00 80 I 7.79 3.63 1.55 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 -0.36 0.39 0.00 0.00 81 N 8.37 4.44 0.00 3.08 3.15 0.00 0.00 6.87 6.43 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 82 N 8.11 4.46 0.00 3.05 2.92 0.00 0.00 7.20 6.88 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 83 Y 8.05 4.52 0.00 3.13 2.98 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 84 A 7.99 3.50 1.15 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 0.00 0.00 85 Q 8.02 3.89 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 86 K 8.10 4.08 0.00 2.23 1.98 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.52 1.54 7.81 87 L 7.36 4.85 0.00 1.79 1.95 0.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 88 C 7.31 4.27 0.00 2.76 2.66 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 89 T 6.72 4.43 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 1.19 0.00 0.00 90 F 6.89 4.90 0.00 3.14 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 91 S 7.08 4.75 0.00 3.99 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 F 8.27 4.48 0.00 3.10 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 93 L 7.87 3.82 0.00 1.31 1.38 0.80 0.85 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 94 I 7.90 4.85 2.16 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 1.12 1.39 0.00 0.00 95 C 8.00 4.94 0.00 3.00 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 96 K 9.04 4.76 0.00 1.59 1.39 0.00 1.79 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.41 7.81 97 G 8.48 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 0.00 0.00 0.00 0.00 98 V 7.57 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 0.83 0.00 0.00 0.97 0.00 0.00 99 N 8.89 4.36 0.00 2.68 2.77 0.00 0.00 6.85 7.55 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 0.00 100 K 7.39 4.17 0.00 1.76 1.60 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.33 7.81 101 E 7.57 3.81 0.00 1.16 1.74 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 2.30 2.20 0.00 102 Y 5.37 3.98 0.00 2.46 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 0.00 103 L 8.15 4.07 0.00 1.68 1.31 1.38 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 104 M 7.23 2.61 0.00 2.37 1.47 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 105 Y 8.43 4.33 0.00 3.37 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 0.00 106 S 8.27 4.05 0.00 3.96 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 0.00 107 A 8.04 4.28 1.65 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 0.00 108 L 7.54 3.88 0.00 1.47 1.33 0.35 -0.28 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 0.00 109 T 7.46 4.01 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 0.49 0.00 0.00 110 R 7.46 4.36 0.00 2.00 1.95 0.00 3.22 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 111 D 8.69 4.70 0.00 2.63 2.59 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 0.00 112 P 0.00 4.30 0.00 1.68 2.00 0.00 3.36 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.95 0.00 113 F 7.40 4.47 0.00 3.25 2.96 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 0.00 114 S 8.50 4.68 0.00 3.80 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 0.00 115 V 8.24 4.46 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 0.81 0.00 0.00 1.02 0.00 0.00 116 I 8.41 4.50 1.99 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 1.32 0.83 0.89 0.00 0.00 117 E 7.67 5.00 0.00 1.72 1.63 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 2.25 2.24 0.00 118 E 8.45 5.84 0.00 2.46 2.37 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 2.42 2.31 0.00 119 S 8.54 4.55 0.00 3.88 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.41 4.46 0.00 1.64 1.55 0.14 1.04 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 0.00 121 P 0.00 4.46 0.00 2.17 2.19 0.00 3.79 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 1.96 1.97 0.00 122 G 7.78 4.02 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 0.00 123 G 7.93 3.56 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 0.00 124 L 5.68 3.46 0.00 1.04 0.13 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 125 K 6.37 4.29 0.00 1.41 1.43 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.24 1.05 7.81 126 E 8.93 4.24 0.00 2.12 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 2.24 2.27 0.00 127 H 8.00 4.61 0.00 3.22 3.35 0.00 5.46 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 7.60 4.45 0.00 1.97 1.73 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 0.00 129 F 6.95 4.87 0.00 3.16 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 0.00 130 N 8.52 5.04 0.00 2.62 2.69 0.00 0.00 6.85 7.69 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 0.00 131 P 0.00 4.60 0.00 2.20 2.07 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 132 E 7.72 4.19 0.00 1.97 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 2.48 2.24 0.00 133 S 8.60 3.44 0.00 4.06 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 0.00 134 S 8.76 4.29 0.00 3.99 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