NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3796 8.2493 123.5852 51.3024 19.6085 176.5632 2 P 4.2011 0.0000 0.0000 63.3112 31.5385 171.6815 3 V 4.4494 8.4041 119.1895 59.3825 34.3986 176.2659 4 R 4.6501 8.6815 123.6356 55.8109 32.3593 175.6722 5 S 5.6723 8.7414 116.4418 57.0778 67.6930 173.0835 6 L 5.2101 8.5556 123.1378 54.0092 43.9266 174.5190 7 N 5.6806 8.7311 116.6025 51.7589 41.5443 173.5475 8 C 4.9360 9.0867 117.2435 57.2637 33.8875 172.8129 9 T 4.9912 8.8524 110.0986 60.0789 70.9665 173.1399 10 L 5.7367 8.2635 121.3911 52.2787 45.2749 175.7176 11 R 5.4685 8.7572 119.6652 53.3422 34.7906 175.2985 12 D 4.7967 8.5581 121.7003 52.1661 41.0465 177.1074 13 S 4.0887 8.1508 114.1738 60.7318 62.6661 175.2336 14 Q 4.3797 8.1304 117.6609 55.1207 28.8821 175.3364 15 Q 3.6152 8.0606 115.9572 56.8720 26.7848 173.9186 16 K 4.2856 8.9301 117.5665 56.2310 33.9341 176.1931 17 S 5.0374 9.1199 117.7425 56.7686 66.0409 173.3710 18 L 4.9700 7.9297 119.9328 54.2415 42.8537 176.3774 19 V 4.4975 8.9604 117.0579 59.5475 36.0036 175.1355 20 M 4.5773 8.5109 123.4225 54.8969 31.4085 175.9696 21 S 4.1913 8.4012 121.9255 58.5203 63.4709 175.9657 22 G 4.2197 7.4169 108.2258 42.6467 0.0000 171.5691 23 P 4.0814 0.0000 0.0000 65.3230 30.9777 176.2264 24 Y 4.9522 7.5938 115.4048 57.4129 39.3454 174.2487 25 E 4.8373 8.2558 119.3896 54.4453 33.4965 173.9492 26 L 5.2809 8.6411 125.2955 52.9673 45.3107 175.4636 27 K 5.1087 9.3245 121.3139 54.5024 36.3794 174.9686 28 A 5.3529 9.1371 124.7798 50.2002 21.4979 175.4082 29 L 5.0555 8.6919 121.8026 54.5390 44.8674 174.9881 30 H 4.5097 9.4904 117.8164 55.6717 29.1731 175.2121 31 L 4.6706 8.5928 124.7155 53.4308 44.2379 174.5957 32 Q 4.5385 7.9446 127.9392 55.9063 32.6756 175.4423 33 G 3.6411 8.3829 109.6998 48.4425 0.0000 173.8495 34 Q 4.4770 8.7856 125.0997 55.8629 29.1259 175.2264 35 D 4.7828 7.9888 115.1429 54.0297 41.8507 178.0996 36 M 4.0666 7.8666 120.2721 58.5257 32.3862 177.2854 37 E 4.2403 8.0570 115.3653 57.7737 29.5863 176.9780 38 Q 4.3438 7.8113 117.7414 55.7483 28.9253 176.1622 39 Q 4.0697 7.6104 116.9567 56.1426 29.1716 175.8120 40 V 3.9759 7.6263 119.9658 61.8941 32.9455 175.0685 41 V 4.3198 7.9213 126.5502 61.1454 34.0930 173.9821 42 F 5.1657 8.8755 125.9167 55.8737 41.4611 174.6678 43 S 5.2403 8.9275 119.2419 56.9769 64.8060 173.0170 44 M 5.2419 9.1167 125.1034 53.3178 33.6742 175.1401 45 S 5.3984 8.3858 120.0438 56.3623 65.4818 174.2936 46 F 4.8637 8.3868 123.5626 57.4007 36.8870 176.9487 47 V 4.7587 7.7570 117.0428 60.0010 34.1755 174.6113 48 Q 4.7240 9.4264 122.0734 54.1270 32.1316 177.5100 49 G 3.9239 7.9781 110.4369 46.2704 0.0000 172.3256 50 E 4.0422 8.6914 126.0954 56.1445 29.3337 176.1681 51 E 4.8903 8.3990 127.2106 54.6219 32.0743 175.0194 52 S 4.5496 8.3345 117.7473 57.9032 65.6885 173.4591 53 N 4.5298 8.7748 117.7892 55.6613 39.3065 175.4243 54 D 4.7617 8.1692 116.9551 53.9879 42.1167 176.2143 55 K 4.9936 8.1225 121.3503 54.3809 34.3636 175.1352 56 I 4.9556 8.7895 128.5482 58.7009 39.3599 172.8828 57 P 5.0609 0.0000 0.0000 62.8113 32.4102 175.7110 58 V 5.3228 9.5308 117.1428 58.5757 36.7336 174.3969 59 A 5.4049 8.5381 123.2886 50.1440 21.7959 176.4123 60 L 4.7920 8.9080 119.1930 53.0354 44.6960 175.8515 61 G 3.3714 8.1599 110.0860 43.3514 0.0000 170.6290 62 L 4.1630 8.3833 121.5175 53.6612 42.8417 176.8011 63 K 3.8269 8.2914 125.4676 57.3027 32.7241 176.2910 64 E 3.8732 8.7994 124.5763 56.4223 28.5659 174.4764 65 K 4.6176 7.5955 115.2461 56.5499 36.8867 175.4029 66 N 5.0279 8.7393 118.6724 53.3720 38.9298 173.7908 67 L 5.1288 7.9556 120.3268 54.6495 43.3378 175.1466 68 Y 5.1181 8.9892 121.6592 55.8021 41.8036 175.1331 69 L 4.8326 8.9544 123.5220 54.9586 42.4092 176.5347 70 S 4.7276 9.7285 118.7357 56.5673 65.9311 172.3256 71 C 5.1732 8.5381 124.4277 58.4482 29.3299 173.4500 72 V 4.6942 8.7814 116.5225 59.5930 36.5027 174.4501 73 L 4.7399 8.5002 121.5345 53.4456 42.8537 176.7164 74 K 4.2840 8.8928 124.0734 55.2692 34.5864 175.9872 75 D 4.5131 9.2465 125.1385 55.9251 39.0513 172.8025 76 D 4.4230 8.1520 111.4581 54.8680 39.2541 173.8067 77 K 4.4058 7.5570 119.4180 53.8106 35.6004 173.6279 78 P 4.1164 0.0000 0.0000 62.9173 31.4533 175.8413 79 T 4.7754 9.3173 121.2444 61.6584 73.1261 172.7286 80 L 5.1875 8.5824 125.6437 54.4135 43.9536 175.1657 81 Q 4.7072 9.1250 122.0167 55.4577 32.9060 172.6611 82 L 5.3440 8.5723 119.0796 53.2501 43.5991 176.0145 83 E 4.6445 9.4929 124.2240 54.8709 32.2515 175.9789 84 S 5.1862 8.6952 120.8272 57.6519 61.9066 174.3787 85 V 3.5474 8.0584 117.0780 59.9773 32.6479 175.4483 86 D 4.3284 8.4720 121.5347 54.4497 41.1226 175.8771 87 P 4.4055 0.0000 0.0000 64.3165 31.5408 177.0236 88 K 4.4872 8.6745 115.7329 56.6409 33.8869 176.4588 89 N 4.7705 8.4008 115.0766 53.2115 39.2953 173.9378 90 Y 4.5230 7.5220 115.7489 55.2644 41.7429 173.4452 91 P 4.6500 0.0000 0.0000 62.0504 32.9516 174.7327 92 K 4.5631 7.7664 116.0386 55.1671 35.7600 176.3614 93 K 4.0385 8.6779 120.3510 59.3266 32.2651 176.6065 94 K 4.4687 7.6348 121.6800 55.3830 30.6021 175.3677 95 M 4.5084 7.8879 122.7336 53.1881 33.8920 176.2310 96 E 4.1594 8.7646 120.0940 56.3850 30.3133 178.4614 97 K 3.9978 8.7222 123.3486 59.3180 32.4958 178.6378 98 R 3.7554 7.7640 114.0130 57.4819 29.5624 177.2904 99 F 4.9308 8.3590 117.1050 57.2041 40.1839 174.6423 100 V 4.3885 7.3278 122.8753 61.7016 32.6015 174.5538 101 F 5.0458 9.4153 127.3981 56.1412 41.9388 175.1702 102 N 4.9198 9.8356 121.9061 51.7774 39.0545 173.4871 103 K 4.1159 9.2143 125.7867 56.0198 32.7737 175.4771 104 I 5.3157 8.7578 128.8335 59.3908 39.9406 175.1635 105 E 4.9889 8.4549 123.4217 54.6815 30.1666 175.6103 106 I 3.9892 8.4171 117.1717 63.1399 39.7019 177.0127 107 N 4.9021 7.8028 113.6497 52.5166 36.5076 175.9933 108 N 4.6236 9.2845 116.3645 53.6288 39.8020 173.5620 109 K 4.7872 8.3760 117.4394 54.8164 34.4823 175.6435 110 L 4.9814 8.6663 123.5454 53.9919 43.2489 174.9930 111 E 5.0608 9.1575 119.4921 54.7097 33.0206 175.0083 112 F 5.2429 9.1853 120.9490 56.0707 40.7553 173.6870 113 E 4.6312 9.2219 125.8340 54.9168 31.2601 175.0356 114 S 4.5647 8.9373 121.9435 57.9318 62.5742 174.0549 115 A 4.0401 8.2150 128.9997 55.0651 18.1673 178.8047 116 Q 3.5600 7.8492 115.6044 58.0772 29.5582 175.5278 117 F 4.7515 7.4318 116.7496 54.2488 39.9764 171.9087 118 P 4.4406 0.0000 0.0000 63.9354 31.4917 176.9204 119 N 4.3643 9.9898 118.9477 53.1268 37.0321 173.2596 120 W 4.9774 7.9629 119.2533 55.3292 31.2235 174.9154 121 Y 6.0578 9.0808 122.2998 55.0109 41.5236 175.1832 122 I 4.3607 8.7464 122.0172 61.8392 37.1551 175.9365 123 S 5.6565 9.4101 122.7492 56.2890 67.1998 173.2962 124 T 4.1317 7.7806 116.7452 61.9508 72.8014 174.1393 125 S 4.9546 8.6929 120.6058 57.8367 63.7223 174.6519 126 Q 4.0232 8.6314 121.1649 58.7871 28.7152 177.4076 127 A 4.1614 7.8360 119.1864 52.1694 18.9859 176.0854 128 E 4.3244 8.4428 120.0832 56.4498 30.6857 175.4628 129 N 4.3414 8.1202 121.2861 54.8559 38.0980 173.4976 130 M 4.6185 7.7578 115.1776 53.1694 33.9787 174.4707 131 P 5.0051 0.0000 0.0000 62.3958 33.0057 175.3970 132 V 4.1994 8.1553 121.4366 61.8230 32.7149 174.8418 133 F 5.1435 8.1120 121.4559 55.5091 42.2516 172.4455 134 L 5.1876 8.9498 120.9878 53.8316 43.1160 175.6255 135 G 4.3271 9.2733 113.1099 43.1811 0.0000 173.2316 136 G 3.2271 7.8365 109.4287 44.3729 0.0000 174.3680 137 T 4.4372 7.0724 110.0727 58.9976 68.2172 172.5218 138 K 3.8359 7.7750 126.8710 58.4053 33.1196 176.7334 139 G 3.9332 8.8714 114.2389 45.8662 0.0000 173.6297 140 G 4.2519 7.0437 113.7566 45.4701 0.0000 175.9724 141 Q 4.1464 8.8524 121.8986 58.3053 29.1130 176.1218 142 D 4.5679 7.8263 117.6692 53.6071 41.7890 175.9263 143 I 3.6564 8.7600 125.1234 61.9700 37.3083 176.6984 144 T 4.8068 8.2882 113.3360 60.8338 69.7902 172.9896 145 D 5.1636 7.4899 121.3708 51.8978 42.0471 174.9995 146 F 5.2344 9.4334 119.3283 56.2906 44.4426 173.1553 147 T 5.0460 9.0337 109.4648 60.2557 72.2408 172.7887 148 M 5.0702 8.4333 120.5843 53.9033 35.0106 174.1419 149 Q 4.5316 8.6256 125.0651 53.8906 31.8907 174.9664 150 F 4.8380 8.8222 123.6894 57.6280 39.8520 175.6321 151 V 4.3613 8.0831 116.4767 59.6847 34.6192 176.7991 152 S 4.3293 8.6520 117.6213 58.5900 61.2502 174.9516 153 S 4.1022 8.3992 119.7162 58.8779 62.7030 172.4187 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 A 8.25 4.38 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 2 P 0.00 4.20 0.00 2.29 2.20 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 3 V 8.40 4.45 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 0.83 0.00 0.00 1.09 0.00 0.00 4 R 8.68 4.65 0.00 2.32 2.19 0.00 3.18 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 5 S 8.74 5.67 0.00 3.75 3.70 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 6 L 8.56 5.21 0.00 1.97 1.81 1.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.73 5.68 0.00 2.68 2.74 0.00 0.00 6.19 7.67 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 8 C 9.09 4.94 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.85 4.99 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 1.29 0.00 0.00 10 L 8.26 5.74 0.00 1.33 1.35 -0.07 1.05 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 11 R 8.76 5.47 0.00 1.79 1.84 0.00 3.13 0.00 0.00 3.32 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.41 0.00 12 D 8.56 4.80 0.00 2.40 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 13 S 8.15 4.09 0.00 3.78 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 14 Q 8.13 4.38 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 15 Q 8.06 3.62 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 16 K 8.93 4.29 0.00 1.70 1.70 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.95 1.53 7.81 17 S 9.12 5.04 0.00 3.70 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 18 L 7.93 4.97 0.00 1.76 1.67 0.61 0.84 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 19 V 8.96 4.50 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 0.78 0.00 0.00 0.97 0.00 0.00 20 M 8.51 4.58 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 21 S 8.40 4.19 0.00 3.84 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.42 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 0.00 0.00 0.00 23 P 0.00 4.08 0.00 1.35 1.92 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 24 Y 7.59 4.95 0.00 2.98 2.94 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 25 E 8.26 4.84 0.00 2.07 1.87 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 2.24 2.32 0.00 26 L 8.64 5.28 0.00 1.64 1.53 1.03 0.81 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 27 K 9.32 5.11 0.00 1.64 1.67 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 28 A 9.14 5.35 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 29 L 8.69 5.06 0.00 1.92 1.84 0.93 0.74 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 30 H 9.49 4.51 0.00 3.23 3.31 0.00 5.79 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 31 L 8.59 4.67 0.00 1.53 1.54 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.94 4.54 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 5.67 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 33 G 8.38 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 34 Q 8.79 4.48 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 35 D 7.99 4.78 0.00 2.95 2.65 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 36 M 7.87 4.07 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 37 E 8.06 4.24 0.00 1.99 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 2.31 2.27 0.00 38 Q 7.81 4.34 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 39 Q 7.61 4.07 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 40 V 7.63 3.98 1.84 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 0.14 0.00 0.00 0.87 0.00 0.00 41 V 7.92 4.32 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 0.92 0.00 0.00 0.86 0.00 0.00 42 F 8.88 5.17 0.00 2.82 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 43 S 8.93 5.24 0.00 3.69 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 44 M 9.12 5.24 0.00 1.80 1.94 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 45 S 8.39 5.40 0.00 3.86 3.82 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 0.00 0.00 0.00 0.00 46 F 8.39 4.86 0.00 3.06 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.76 4.76 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 1.09 0.00 0.00 1.06 0.00 0.00 48 Q 9.43 4.72 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.10 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 49 G 7.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.69 4.04 0.00 1.93 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 0.00 2.31 2.38 0.00 51 E 8.40 4.89 0.00 1.97 1.81 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 2.21 2.30 0.00 52 S 8.33 4.55 0.00 3.99 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 53 N 8.77 4.53 0.00 2.72 2.89 0.00 0.00 6.76 8.48 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 54 D 8.17 4.76 0.00 2.76 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 55 K 8.12 4.99 0.00 1.90 1.73 0.00 1.60 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.44 7.81 56 I 8.79 4.96 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.01 1.12 0.00 0.00 57 P 0.00 5.06 0.00 2.20 2.27 0.00 3.74 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 58 V 9.53 5.32 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 1.18 0.00 0.00 59 A 8.54 5.40 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.91 4.79 0.00 1.45 1.23 -0.44 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.16 3.37 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 0.00 62 L 8.38 4.16 0.00 1.60 1.40 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.29 3.83 0.00 1.85 1.61 0.00 1.92 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.35 7.81 64 E 8.80 3.87 0.00 2.20 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 2.14 2.22 0.00 65 K 7.60 4.62 0.00 1.70 1.65 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.33 7.81 66 N 8.74 5.03 0.00 2.94 3.07 0.00 0.00 6.43 6.70 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 67 L 7.96 5.13 0.00 1.62 1.72 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.99 5.12 0.00 2.75 2.94 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 69 L 8.95 4.83 0.00 1.76 1.86 0.31 0.85 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 70 S 9.73 4.73 0.00 3.73 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 71 C 8.54 5.17 0.00 2.87 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 72 V 8.78 4.69 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 0.72 0.00 0.00 0.91 0.00 0.00 73 L 8.50 4.74 0.00 1.53 1.55 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.89 4.28 0.00 1.67 1.66 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.29 7.81 75 D 9.25 4.51 0.00 2.76 2.65 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 76 D 8.15 4.42 0.00 2.81 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 77 K 7.56 4.41 0.00 1.75 1.62 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.40 7.81 78 P 0.00 4.12 0.00 0.49 0.49 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.74 0.00 79 T 9.32 4.78 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 1.26 0.00 0.00 80 L 8.58 5.19 0.00 1.77 1.66 1.26 0.66 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 81 Q 9.12 4.71 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 82 L 8.57 5.34 0.00 1.87 2.00 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.49 4.64 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 84 S 8.70 5.19 0.00 3.82 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.06 3.55 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 -0.45 0.00 0.00 0.39 0.00 0.00 86 D 8.47 4.33 0.00 2.82 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 87 P 0.00 4.41 0.00 2.10 2.12 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 88 K 8.67 4.49 0.00 1.81 1.91 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.38 7.81 89 N 8.40 4.77 0.00 2.90 2.73 0.00 0.00 7.18 7.46 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 90 Y 7.52 4.52 0.00 2.84 2.47 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 91 P 0.00 4.65 0.00 2.25 2.25 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 92 K 7.77 4.56 0.00 1.68 1.52 0.00 1.41 0.00 0.00 1.12 0.00 0.00 2.26 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.79 1.24 7.81 93 K 8.68 4.04 0.00 1.83 1.85 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.59 7.81 94 K 7.63 4.47 0.00 1.72 1.69 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.51 7.81 95 M 7.89 4.51 0.00 2.18 2.08 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 2.64 2.72 0.00 96 E 8.76 4.16 0.00 2.56 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 2.59 2.47 0.00 97 K 8.72 4.00 0.00 1.74 1.84 0.00 1.57 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.39 7.81 98 R 7.76 3.76 0.00 1.86 1.84 0.00 2.63 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 99 F 8.36 4.93 0.00 3.25 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.33 4.39 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 1.00 0.00 0.00 1.07 0.00 0.00 101 F 9.42 5.05 0.00 3.29 3.19 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 0.00 102 N 9.84 4.92 0.00 2.82 2.83 0.00 0.00 6.71 7.77 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 0.00 103 K 9.21 4.12 0.00 1.71 1.85 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.13 0.59 7.81 104 I 8.76 5.32 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.39 1.00 0.00 0.00 105 E 8.45 4.99 0.00 1.76 1.83 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 2.18 2.27 0.00 106 I 8.42 3.99 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.49 0.91 0.00 0.00 107 N 7.80 4.90 0.00 2.76 2.05 0.00 0.00 5.85 8.00 0.00 0.00 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 N 9.28 4.62 0.00 2.69 2.86 0.00 0.00 6.77 6.70 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 0.00 109 K 8.38 4.79 0.00 1.69 1.66 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.61 7.81 110 L 8.67 4.98 0.00 1.48 1.66 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.16 5.06 0.00 2.01 1.94 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 2.13 2.30 0.00 112 F 9.19 5.24 0.00 3.05 3.05 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 0.00 113 E 9.22 4.63 0.00 1.78 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.65 0.00 114 S 8.94 4.56 0.00 4.02 4.08 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 0.00 115 A 8.22 4.04 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 0.00 116 Q 7.85 3.56 0.00 1.71 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 117 F 7.43 4.75 0.00 2.94 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.44 0.00 2.12 2.03 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 119 N 9.99 4.36 0.00 3.04 3.03 0.00 0.00 6.92 8.42 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 0.00 120 W 7.96 4.98 0.00 3.60 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 0.00 121 Y 9.08 6.06 0.00 2.98 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 0.00 122 I 8.75 4.36 1.85 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.68 0.00 0.00 123 S 9.41 5.66 0.00 3.64 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 0.00 124 T 7.78 4.13 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 0.00 125 S 8.69 4.95 0.00 3.99 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 0.00 126 Q 8.63 4.02 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 127 A 7.84 4.16 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 0.00 128 E 8.44 4.32 0.00 1.96 1.87 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 2.28 2.38 0.00 129 N 8.12 4.34 0.00 2.79 2.94 0.00 0.00 7.16 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 0.00 130 M 7.76 4.62 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.56 0.00 131 P 0.00 5.01 0.00 2.11 2.09 0.00 3.85 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 2.15 0.00 132 V 8.16 4.20 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 0.63 0.00 0.00 0.94 0.00 0.00 133 F 8.11 5.14 0.00 3.22 3.16 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 0.00 134 L 8.95 5.19 0.00 1.86 1.91 1.26 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.27 4.33 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 0.00 136 G 7.84 3.23 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 0.00 137 T 7.07 4.44 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 138 K 7.77 3.84 0.00 1.39 1.58 0.00 1.35 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.14 0.99 7.81 139 G 8.87 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 0.00 140 G 7.04 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 0.00 0.00 0.00 0.00 141 Q 8.85 4.15 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 142 D 7.83 4.57 0.00 2.82 2.78 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 0.00 143 I 8.76 3.66 1.78 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 1.23 0.32 0.36 0.00 0.00 144 T 8.29 4.81 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 1.21 0.00 0.00 145 D 7.49 5.16 0.00 2.56 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 0.00 146 F 9.43 5.23 0.00 3.05 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 0.00 147 T 9.03 5.05 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 1.22 0.00 0.00 148 M 8.43 5.07 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.75 0.00 149 Q 8.63 4.53 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 150 F 8.82 4.84 0.00 2.98 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 0.00 151 V 8.08 4.36 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 0.73 0.00 0.00 1.01 0.00 0.00 152 S 8.65 4.33 0.00 3.87 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 0.00 153 S 8.40 4.10 0.00 4.02 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