NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0961 8.0549 120.3913 62.3926 32.5485 175.1955 2 L 3.9608 8.2945 127.5234 52.5793 42.2284 176.0469 3 S 4.5243 9.1953 118.2290 57.5678 66.2617 174.8456 4 E 4.2246 8.8188 122.3628 59.5639 29.3719 178.9682 5 G 3.6442 8.1256 105.2022 47.8002 0.0000 175.3322 6 E 3.8890 8.2174 120.8478 59.0720 29.4034 179.4886 7 W 4.4279 8.2170 119.0685 59.9028 29.0604 178.5755 8 Q 4.1270 8.5823 118.2403 59.0017 28.1322 178.8803 9 L 4.0669 7.9767 119.8970 57.6909 41.6621 179.6772 10 V 3.7448 7.9825 118.1007 66.3067 31.5994 178.1146 11 L 4.3277 8.5315 118.4523 57.3644 41.2579 179.0000 12 H 4.2237 8.3453 118.4397 59.2452 30.2427 177.3729 13 V 3.7432 7.8827 120.7108 64.4682 31.2903 178.1169 14 W 3.9087 8.5978 128.8910 60.1447 30.2913 177.8048 15 A 4.0258 8.0697 120.0033 54.9025 17.9934 179.4702 16 K 3.9064 7.6994 117.2166 59.3814 31.9969 179.6309 17 V 2.9178 6.9939 118.0550 65.6553 31.0953 177.2246 18 E 3.9709 7.3894 115.3634 57.5643 29.3988 178.2763 19 A 4.1628 7.4666 120.4810 53.7660 20.1281 177.5296 20 D 4.6458 8.0539 116.9391 51.9837 42.3427 175.6556 21 V 3.4181 7.8397 123.8670 66.2392 32.1138 176.7929 22 A 4.0738 7.9935 120.0059 55.0355 18.2963 179.6968 23 G 3.6081 8.4295 104.3681 46.0447 0.0000 175.7882 24 H 4.1836 8.2515 118.5854 58.4975 28.6607 178.1016 25 G 3.5576 8.2504 107.6700 47.7067 0.0000 175.7013 26 Q 3.8664 8.0321 120.2661 58.9532 28.7857 178.6856 27 D 4.2911 7.8547 119.6095 57.3999 40.7503 179.1270 28 I 3.6517 7.8946 120.4028 64.3955 37.0760 178.5606 29 L 3.4201 7.7894 119.8616 57.4979 41.2156 179.6693 30 I 3.5686 7.6800 120.0159 64.2129 36.9733 178.4035 31 R 3.7731 7.9357 119.5703 59.1664 29.8822 178.1274 32 L 3.9388 7.8786 120.2378 58.4767 41.5534 179.1369 33 F 4.5610 8.1145 117.8737 60.5049 38.5444 177.9601 34 K 4.0526 8.1857 117.6684 59.5348 32.0406 179.3879 35 S 4.2830 8.2720 114.6100 60.2502 64.1530 174.5600 36 H 4.6836 8.0822 118.3365 52.1049 29.3225 171.9375 37 P 4.4673 0.0000 0.0000 64.3997 31.6652 177.5304 38 E 4.0817 8.2369 116.4441 59.4268 29.3474 179.1858 39 T 4.0978 8.2064 111.4751 64.6298 68.9042 176.3274 40 L 3.5255 7.8662 123.3048 57.7634 41.8100 178.5131 41 E 4.0811 7.7191 116.8456 58.5617 29.6365 178.2934 42 K 4.4327 8.0127 117.0299 57.1074 32.7576 177.3516 43 F 4.5852 8.0936 119.1474 55.4111 39.4075 175.4707 44 D 4.4182 8.6009 124.4021 57.3365 41.0356 178.7469 45 R 3.8381 7.9436 116.8035 58.4526 30.0378 177.1270 46 F 5.0556 8.0093 113.6839 56.8474 40.7049 176.8091 47 K 4.0897 8.1067 119.2560 58.6814 32.6101 177.6646 48 H 4.3521 8.1144 114.7124 57.4831 28.8372 175.3453 49 L 4.3279 7.6644 121.8826 54.3862 41.7267 176.6796 50 K 4.5320 9.4214 122.8075 56.1471 34.3905 176.6640 51 T 4.7489 7.5046 108.3555 58.8047 73.1634 174.1840 52 E 3.8836 8.6718 121.8661 59.4272 29.7537 178.8365 53 A 3.9881 7.9779 120.3321 55.1983 18.2215 179.3525 54 E 3.9024 7.7712 115.9571 59.8013 30.0063 179.0703 55 M 4.1764 8.1498 118.7280 58.5347 31.8468 179.1119 56 K 4.0011 8.2558 117.2707 58.8548 32.2739 178.4407 57 A 4.4644 7.6152 118.7610 51.6633 19.2050 176.9941 58 S 4.3941 7.4996 113.5642 57.0525 62.6474 174.4142 59 E 4.0032 8.8387 129.4911 59.2120 29.4727 177.8857 60 D 4.4326 8.1923 117.8746 57.2755 41.2664 177.8808 61 L 3.4349 8.0894 120.8686 57.8062 42.1679 178.7697 62 K 3.8421 7.9349 119.3731 59.4537 32.0927 178.8370 63 K 4.0042 8.4082 119.0164 59.8761 31.9450 178.8522 64 H 4.4550 8.6102 118.6233 59.0510 29.7536 177.3428 65 G 3.6167 8.3523 108.0207 47.8867 0.0000 175.7409 66 V 3.6142 7.7082 120.1050 65.9251 31.6123 178.1038 67 T 3.8899 7.9105 115.5164 66.6977 68.2879 176.6285 68 V 3.6041 7.8978 119.9785 66.2348 31.5545 178.1642 69 L 4.2312 8.1751 118.5353 57.8079 41.4949 179.6358 70 T 3.9565 8.3809 116.2145 66.4977 68.3742 176.5236 71 A 3.9924 8.0009 122.5555 55.0640 18.4144 179.4292 72 L 3.7244 8.2011 119.1742 58.0497 42.0965 179.3382 73 G 3.2860 8.4039 105.7549 47.7230 0.0000 175.4509 74 A 3.9924 7.6541 121.9983 54.7543 18.6273 179.6224 75 I 3.7713 7.5118 118.2137 64.6400 37.2583 178.6751 76 L 3.9603 7.9196 120.1408 57.6750 41.1691 179.5564 77 K 4.0079 7.7969 116.7926 58.2202 32.3243 178.6171 78 K 3.9773 7.8330 118.2677 55.7640 32.6744 176.4901 79 K 2.0000 8.2721 118.1771 56.4279 29.8056 174.5426 80 G 4.0855 7.9040 106.4543 46.0998 0.0000 174.1255 81 H 4.4806 7.5041 117.9341 55.2800 27.5695 175.0034 82 H 5.4378 7.3249 110.6930 54.6339 29.6016 176.5815 83 E 3.9731 8.6280 121.8491 60.4685 28.9593 179.0892 84 A 4.0465 7.8988 118.5758 55.1428 18.5511 179.0820 85 E 4.0956 8.1207 116.7464 59.2779 29.6468 178.9780 86 L 4.1605 8.1047 118.5548 56.4387 41.7551 179.0546 87 K 3.8790 7.7808 120.5270 59.1043 32.0972 176.9646 88 P 4.4215 0.0000 0.0000 65.6023 31.1224 178.0549 89 L 3.9639 7.4525 116.9123 57.9986 42.0106 178.7877 90 A 4.1282 8.3862 121.0971 55.3296 18.3310 179.6286 91 Q 3.8004 8.2278 116.7844 59.1011 28.7886 179.2555 92 S 3.9997 8.3152 115.5359 61.7491 63.1056 176.2384 93 H 4.2566 8.7073 119.9075 58.0820 28.2203 177.7616 94 A 2.9616 7.7397 122.5301 54.5749 18.1922 179.0108 95 T 3.7982 7.1186 105.7048 61.8993 69.7296 175.3661 96 K 4.1958 7.4326 120.3978 58.3112 33.3717 176.8903 97 H 4.2568 8.2720 116.6160 56.7129 29.4033 175.9819 98 K 3.7788 7.6720 119.1064 55.4687 28.2403 181.2393 99 I 4.2748 7.9695 121.6614 59.0128 38.6512 175.1934 100 P 4.4620 0.0000 0.0000 62.1865 32.1336 177.5145 101 I 3.4434 8.4506 121.9999 64.5692 36.8906 178.4056 102 K 3.6244 7.9885 119.7536 59.8669 31.8604 178.1245 103 Y 4.0461 8.0257 116.5592 60.5392 37.7929 178.0333 104 L 4.1771 7.8607 120.3102 57.4431 41.6452 178.9876 105 E 3.9549 7.8978 119.0508 59.2547 29.6532 178.6713 106 F 4.6452 7.7976 117.8035 60.8765 38.9129 177.5947 107 I 3.8834 8.1901 118.1091 63.9512 37.7162 178.0548 108 S 4.1872 8.3043 116.4079 61.5929 62.5667 176.4281 109 E 4.0439 8.4662 121.0514 59.3882 29.1703 179.3063 110 A 4.0107 8.1192 120.7993 55.0754 18.3731 179.6134 111 I 3.6677 8.1123 118.6430 64.8040 37.2537 178.7225 112 I 3.8169 8.0063 120.5018 64.5270 36.9479 177.9225 113 H 4.0675 8.5538 119.2862 59.4657 29.6998 177.5247 114 V 3.5901 8.0328 120.0356 65.9193 31.2847 177.9091 115 L 3.7489 7.9979 118.9730 57.8779 41.0590 179.0208 116 H 4.3962 7.9222 117.3636 59.3547 29.9145 177.2404 117 S 4.1850 7.8720 116.0305 61.5955 62.7598 176.4259 118 R 4.0805 7.8284 119.1834 57.6217 30.9640 176.4280 119 H 5.0519 8.2359 116.1300 54.2273 29.9443 173.4491 120 P 4.3088 0.0000 0.0000 65.7882 31.6198 178.8107 121 G 3.7497 8.1084 106.1904 47.3013 0.0000 173.5816 122 D 5.0499 8.1505 118.4310 54.0099 41.5075 176.2704 123 F 4.9570 8.0642 121.0163 56.4528 39.6813 174.7247 124 G 3.8710 7.9668 107.3931 43.8967 0.0000 172.9683 125 A 3.9394 8.4373 121.0564 55.0363 18.1702 179.4162 126 D 4.1958 7.9705 116.8585 56.7842 39.3676 178.7131 127 A 3.9548 7.7412 122.0799 54.3747 18.3702 179.1505 128 Q 3.1955 7.9523 118.7089 59.0473 29.0696 178.8763 129 G 3.4709 8.2877 106.9017 47.5618 0.0000 175.5975 130 A 3.8590 7.9116 123.1672 55.1294 18.3384 179.3907 131 M 3.9935 8.3658 117.1382 58.6960 32.2861 177.8059 132 N 4.2996 8.4393 117.4620 56.8110 39.0750 176.9987 133 K 4.2107 8.3566 120.8417 58.8175 32.0767 179.2512 134 A 3.8359 7.9774 121.2246 55.1487 18.2761 179.7113 135 L 4.1198 8.3247 117.7283 57.6045 41.1642 179.4301 136 E 3.9881 8.6479 119.3317 59.3254 29.3545 179.1006 137 L 4.0147 8.1939 120.4356 57.9474 42.1159 178.5394 138 F 4.1489 8.3407 120.6689 61.6714 39.2173 177.3915 139 R 3.5707 8.2662 117.4769 58.8387 29.8123 178.9027 140 K 3.8191 8.4172 119.8354 59.7868 32.0851 178.6499 141 D 4.3469 8.2090 119.1045 57.2422 40.7030 178.8098 142 I 3.5104 7.6250 120.2538 64.2417 37.0135 178.2779 143 A 3.7096 8.0518 121.6870 55.0218 18.1407 179.5626 144 A 3.9630 7.9864 119.3044 55.1636 18.4095 180.0970 145 K 3.9852 7.9032 117.2304 59.7708 32.0646 179.0371 146 Y 4.1627 8.6108 117.5524 61.1533 37.7901 178.8652 147 K 3.9965 8.3078 120.4677 59.3307 32.0835 178.2515 148 E 3.9473 7.9573 118.6976 59.4450 29.6737 178.3630 149 L 4.4125 7.8209 115.5878 54.9617 41.9247 177.5177 150 G 3.7850 8.0990 107.1698 46.1629 0.0000 173.4156 151 Y 4.2216 8.2644 122.9892 57.7385 38.3615 175.6722 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 V 8.05 4.10 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 0.96 0.00 0.00 2 L 8.29 3.96 0.00 0.73 0.61 0.57 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.20 4.52 0.00 4.01 3.97 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 4 E 8.82 4.22 0.00 2.20 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 2.44 2.61 0.00 5 G 8.13 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 0.00 0.00 0.00 6 E 8.22 3.89 0.00 2.02 1.70 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 2.21 2.26 0.00 7 W 8.22 4.43 0.00 3.57 3.18 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 0.00 8 Q 8.58 4.13 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.80 0.00 9 L 7.98 4.07 0.00 1.92 1.76 0.94 0.83 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 10 V 7.98 3.74 2.50 0.00 0.00 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 0.91 0.00 0.00 11 L 8.53 4.33 0.00 1.92 1.82 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.35 4.22 0.00 3.31 3.57 0.00 5.95 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 13 V 7.88 3.74 2.48 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 1.00 0.00 0.00 0.84 0.00 0.00 14 W 8.60 3.91 0.00 3.66 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 15 A 8.07 4.03 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 16 K 7.70 3.91 0.00 1.41 1.54 0.00 1.61 0.00 0.00 1.45 0.00 0.00 2.69 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.42 7.81 17 V 6.99 2.92 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 0.00 0.00 -0.13 0.00 0.00 0.20 0.00 0.00 18 E 7.39 3.97 0.00 1.88 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 2.23 2.12 0.00 19 A 7.47 4.16 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 20 D 8.05 4.65 0.00 2.69 2.52 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 0.00 21 V 7.84 3.42 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 0.98 0.00 0.00 0.85 0.00 0.00 22 A 7.99 4.07 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 8.43 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 0.00 0.00 0.00 24 H 8.25 4.18 0.00 3.27 3.24 0.00 5.82 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 8.25 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 26 Q 8.03 3.87 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 27 D 7.85 4.29 0.00 2.76 2.64 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 28 I 7.89 3.65 1.87 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 1.51 0.66 0.88 0.00 0.00 29 L 7.79 3.42 0.00 1.26 0.73 0.75 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.68 3.57 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.87 0.00 0.00 31 R 7.94 3.77 0.00 1.87 1.99 0.00 2.94 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 32 L 7.88 3.94 0.00 1.78 1.52 1.09 1.33 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 33 F 8.11 4.56 0.00 3.09 2.90 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 34 K 8.19 4.05 0.00 1.68 1.83 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.64 7.81 35 S 8.27 4.28 0.00 3.76 3.60 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 36 H 8.08 4.68 0.00 3.02 2.80 0.00 5.63 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 37 P 0.00 4.47 0.00 2.14 2.10 0.00 3.81 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 2.08 1.98 0.00 38 E 8.24 4.08 0.00 2.29 2.28 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 2.01 2.38 0.00 39 T 8.21 4.10 4.58 0.00 0.00 0.00 0.00 0.00 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 40 L 7.87 3.53 0.00 1.33 1.76 -0.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.72 4.08 0.00 2.11 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 2.37 2.44 0.00 42 K 8.01 4.43 0.00 1.91 1.67 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.75 1.88 7.81 43 F 8.09 4.59 0.00 3.28 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 44 D 8.60 4.42 0.00 2.62 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 45 R 7.94 3.84 0.00 1.15 0.66 0.00 2.99 0.00 0.00 2.84 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 46 F 8.01 5.06 0.00 2.84 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 47 K 8.11 4.09 0.00 1.86 2.12 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.45 7.81 48 H 8.11 4.35 0.00 3.29 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.66 4.33 0.00 1.61 1.60 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.42 4.53 0.00 1.77 1.81 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 51 T 7.50 4.75 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 52 E 8.67 3.88 0.00 2.04 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 2.36 2.36 0.00 53 A 7.98 3.99 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 54 E 7.77 3.90 0.00 2.08 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 0.00 2.36 2.35 0.00 55 M 8.15 4.18 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.61 0.00 56 K 8.26 4.00 0.00 1.83 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 57 A 7.62 4.46 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 58 S 7.50 4.39 0.00 3.95 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 59 E 8.84 4.00 0.00 2.14 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 2.40 2.46 0.00 60 D 8.19 4.43 0.00 2.97 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 61 L 8.09 3.43 0.00 1.40 1.63 -0.16 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.93 3.84 0.00 1.87 1.98 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.41 4.00 0.00 2.13 1.93 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 64 H 8.61 4.45 0.00 3.61 3.61 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 65 G 8.35 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.61 2.27 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 1.14 0.00 0.00 0.98 0.00 0.00 67 T 7.91 3.89 4.49 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 1.31 0.00 0.00 68 V 7.90 3.60 2.19 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 1.16 0.00 0.00 0.89 0.00 0.00 69 L 8.18 4.23 0.00 1.81 1.92 0.87 0.78 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 70 T 8.38 3.96 4.44 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 1.26 0.00 0.00 71 A 8.00 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.72 0.00 1.58 1.56 0.22 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.40 3.29 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 0.00 74 A 7.65 3.99 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 75 I 7.51 3.77 1.87 0.00 0.00 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 1.54 0.58 0.93 0.00 0.00 76 L 7.92 3.96 0.00 1.16 1.55 -0.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.80 4.01 0.00 1.65 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.53 7.81 78 K 7.83 3.98 0.00 1.86 1.84 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.75 7.81 79 K 8.27 2.00 0.00 1.24 0.74 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.67 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.69 7.81 80 G 7.90 4.09 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 0.00 81 H 7.50 4.48 0.00 3.22 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.32 5.44 0.00 3.27 3.43 0.00 5.66 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 8.63 3.97 0.00 2.09 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 0.00 2.42 2.49 0.00 84 A 7.90 4.05 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 85 E 8.12 4.10 0.00 2.22 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 0.00 2.40 2.46 0.00 86 L 8.10 4.16 0.00 1.69 1.65 0.73 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.78 3.88 0.00 1.78 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 88 P 0.00 4.42 0.00 2.33 2.31 0.00 3.81 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 2.10 2.04 0.00 89 L 7.45 3.96 0.00 1.90 1.87 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.39 4.13 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 91 Q 8.23 3.80 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 92 S 8.32 4.00 0.00 3.86 4.09 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 93 H 8.71 4.26 0.00 3.49 3.57 0.00 5.81 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 7.74 2.96 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.12 3.80 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 0.83 0.00 0.00 96 K 7.43 4.20 0.00 1.54 1.64 0.00 1.67 0.00 0.00 1.50 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.21 1.33 7.81 97 H 8.27 4.26 0.00 2.99 3.12 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.67 3.78 0.00 1.93 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.01 7.81 99 I 7.97 4.27 2.02 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 1.31 1.40 1.08 0.00 0.00 100 P 0.00 4.46 0.00 1.76 1.79 0.00 2.22 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.78 0.00 101 I 8.45 3.44 1.72 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.88 0.72 0.00 0.00 102 K 7.99 3.62 0.00 1.76 1.75 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 0.76 7.81 103 Y 8.03 4.05 0.00 3.17 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 0.00 104 L 7.86 4.18 0.00 1.84 1.80 0.61 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.90 3.95 0.00 1.95 1.90 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 2.57 2.42 0.00 106 F 7.80 4.65 0.00 3.21 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 0.00 107 I 8.19 3.88 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 1.11 0.00 0.00 108 S 8.30 4.19 0.00 4.20 3.97 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 0.00 109 E 8.47 4.04 0.00 2.32 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 2.43 2.56 0.00 110 A 8.12 4.01 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 0.00 111 I 8.11 3.67 2.09 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 1.61 0.73 1.05 0.00 0.00 112 I 8.01 3.82 2.01 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 1.68 0.76 1.16 0.00 0.00 113 H 8.55 4.07 0.00 3.39 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.03 3.59 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 0.96 0.00 0.00 0.94 0.00 0.00 115 L 8.00 3.75 0.00 0.90 0.55 0.81 0.77 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 0.00 116 H 7.92 4.40 0.00 3.56 3.51 0.00 5.76 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 7.87 4.18 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.83 4.08 0.00 1.55 1.52 0.00 2.78 0.00 0.00 2.75 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 119 H 8.24 5.05 0.00 3.17 3.18 0.00 5.62 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 4.31 0.00 2.19 2.28 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 121 G 8.11 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 0.00 122 D 8.15 5.05 0.00 2.75 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 0.00 123 F 8.06 4.96 0.00 3.00 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 0.00 124 G 7.97 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 0.00 125 A 8.44 3.94 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 0.00 126 D 7.97 4.20 0.00 2.83 2.90 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 0.00 127 A 7.74 3.95 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 0.00 128 Q 7.95 3.20 0.00 1.35 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 129 G 8.29 3.47 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 0.00 130 A 7.91 3.86 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 0.00 131 M 8.37 3.99 0.00 2.42 2.41 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 N 8.44 4.30 0.00 2.94 2.93 0.00 0.00 7.22 7.59 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 0.00 133 K 8.36 4.21 0.00 1.85 1.67 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.38 7.81 134 A 7.98 3.84 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 0.00 135 L 8.32 4.12 0.00 1.74 1.79 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.65 3.99 0.00 2.15 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 2.34 2.55 0.00 137 L 8.19 4.01 0.00 1.87 1.97 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.34 4.15 0.00 3.10 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 8.27 3.57 0.00 2.02 1.86 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 140 K 8.42 3.82 0.00 1.81 2.02 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.21 4.35 0.00 2.78 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 0.00 142 I 7.62 3.51 1.31 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.11 0.40 0.00 0.00 143 A 8.05 3.71 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 0.00 144 A 7.99 3.96 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 0.00 145 K 7.90 3.99 0.00 1.93 1.91 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.62 7.81 146 Y 8.61 4.16 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.31 4.00 0.00 1.94 2.00 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.96 3.95 0.00 2.05 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 2.35 2.39 0.00 149 L 7.82 4.41 0.00 1.94 1.92 0.81 1.02 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 8.10 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.26 4.22 0.00 2.64 2.64 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