NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4107 8.2893 120.3486 55.3788 33.0880 174.6981 2 N 4.6774 8.5830 124.0183 51.3855 38.9804 172.9908 3 I 4.6013 8.7909 121.0784 59.5893 41.9321 176.2430 4 I 4.3706 8.3353 123.9551 59.6045 38.5242 175.1577 5 K 4.4471 8.6176 124.8698 54.4084 34.0179 176.1808 6 A 4.5641 8.3863 126.4088 50.7933 21.1493 174.9892 7 N 5.0508 8.1947 116.7947 51.9563 41.5498 175.5392 8 V 3.9503 8.1586 113.8128 62.4807 32.3357 176.8163 9 A 4.2799 8.0941 123.5720 52.1062 18.7862 178.0076 10 A 4.6395 8.3006 122.1055 51.2251 21.7501 174.1411 11 P 4.6958 0.0000 0.0000 64.7863 32.1792 178.8697 12 D 4.5855 8.0662 115.7035 54.2878 40.5187 175.8210 13 A 4.6137 7.6790 124.5968 51.8803 20.1711 178.2904 14 R 4.8300 9.5607 120.5216 55.0853 32.7635 175.9699 15 V 4.9417 8.8226 124.1820 60.0027 34.9634 173.9244 16 A 4.9300 8.4450 128.4401 50.0892 21.5271 175.2439 17 I 4.8205 8.6658 123.6267 59.5760 39.4591 174.6870 18 T 4.9301 8.5986 117.7806 59.9775 70.7839 173.4049 19 I 5.0727 8.4259 126.6137 58.1855 40.6045 174.4784 20 A 5.6344 8.6741 127.6366 50.6484 19.2001 177.9310 21 R 4.4515 9.0931 119.0742 58.4782 30.3843 176.8334 22 F 4.6474 8.2323 121.3123 59.8565 39.7186 174.3182 23 N 4.6377 9.8971 123.8173 54.5462 35.6523 176.0960 24 Q 4.1667 8.3761 120.4996 59.4475 28.0618 177.9347 25 F 3.8406 8.4805 121.4774 61.1817 39.4095 176.5227 26 I 4.1907 8.2187 118.5783 63.8344 37.7358 177.7648 27 N 4.3586 8.2968 116.6321 56.3521 38.2622 176.9239 28 D 4.5774 8.7721 120.8320 57.6617 41.0179 178.8634 29 S 4.0753 7.9605 112.9489 60.9929 62.4325 175.4853 30 L 4.0696 7.8190 123.3096 58.5454 41.6758 178.3465 31 L 3.8514 8.4242 120.5899 57.7546 41.9302 178.5564 32 D 4.5032 8.4763 118.6177 57.3941 40.9498 179.6225 33 G 3.6460 8.1721 105.7257 47.8525 0.0000 175.2624 34 A 3.9216 7.8189 123.3074 54.6157 18.4880 179.3751 35 V 3.4486 7.9168 116.7941 66.2895 31.5713 177.4042 36 D 4.2976 8.2263 117.2629 57.5990 40.9624 177.6864 37 A 3.9297 8.3109 121.2002 55.8567 18.3565 178.9970 38 L 3.8658 8.4807 116.6742 59.4383 41.8052 179.7418 39 T 4.2206 8.3322 110.9655 64.0054 68.5130 176.1440 40 R 3.8633 8.2166 123.7407 58.2312 30.4034 178.4102 41 I 4.2492 7.7908 118.0163 63.4252 38.1761 177.7276 42 G 3.8259 7.8210 103.6582 44.2189 0.0000 173.9058 43 Q 3.7826 8.0744 120.8589 56.4657 28.2801 172.8171 44 V 3.8478 7.5216 116.9316 62.0075 32.2070 175.2375 45 K 4.1762 8.5892 128.9391 56.3431 32.5091 176.6159 46 D 4.7220 8.8135 124.3385 54.0197 39.0926 176.1849 47 D 4.8102 7.9804 117.0836 53.7392 40.1968 176.3078 48 N 4.7037 8.6064 117.7615 53.7387 39.3879 174.1194 49 I 5.0056 7.5937 120.1088 60.1883 38.4653 175.1993 50 T 4.7252 8.8060 117.2248 59.7043 72.0037 173.0045 51 V 4.6213 8.4012 123.4044 61.0849 34.0850 174.5478 52 V 4.3007 9.0203 129.3213 60.7650 33.6537 174.5588 53 W 4.7869 8.9723 129.1192 56.6582 29.5364 176.4457 54 V 4.3606 8.7987 119.3884 59.0246 33.6816 174.6566 55 P 4.3177 0.0000 0.0000 65.0915 31.2534 177.2534 56 G 4.4598 7.9632 108.1631 42.8778 0.0000 174.0440 57 A 4.0494 8.4781 120.3755 54.8547 18.0861 179.1933 58 Y 4.2098 8.1669 117.0754 60.6923 39.2237 177.4513 59 E 4.1142 8.2026 119.0434 58.0204 29.6117 178.6023 60 L 3.8804 7.5534 119.6567 58.0667 41.6070 177.1051 61 P 4.1716 0.0000 0.0000 65.0179 31.1775 177.8788 62 L 3.8512 7.7738 117.8763 58.4971 42.2008 179.2243 63 A 3.9830 7.8204 120.1103 55.6365 18.3269 179.8505 64 T 3.8229 8.1545 108.2813 64.4940 68.6857 176.2336 65 E 3.8408 8.9421 122.7563 59.1476 29.6169 178.2489 66 A 4.0080 7.9788 120.6726 55.6048 18.1838 179.5498 67 L 4.0743 7.6168 115.0043 57.9746 41.9547 179.4994 68 A 4.2313 8.3108 120.7732 55.1374 18.2267 179.8752 69 K 3.9713 8.2713 116.3064 59.5305 32.1251 178.9920 70 S 4.2080 8.1637 113.1933 59.4896 61.2669 175.7758 71 G 3.9396 8.4512 110.4902 46.2094 0.0000 176.0129 72 K 3.9302 7.7145 120.4840 56.2914 31.8759 182.1369 73 Y 5.1051 6.9107 113.8799 56.7995 40.5064 175.5648 74 D 4.7041 9.3213 122.3189 56.0433 41.7429 176.3228 75 A 4.5218 7.3265 117.7635 51.3014 22.4878 175.0675 76 V 4.7301 8.1861 119.6386 61.0336 34.6870 174.4877 77 V 4.3707 8.8458 128.1482 61.4570 33.4843 174.1499 78 A 4.9217 8.5646 130.2082 49.7162 20.8774 175.1906 79 L 5.3957 7.8972 123.1297 52.6993 44.4332 176.3892 80 G 4.2732 7.6749 108.3359 46.0033 0.0000 171.8647 81 T 5.0898 8.5196 115.9971 61.5056 72.2755 174.2693 82 V 4.2237 9.1185 125.2568 61.3383 34.1434 173.8858 83 I 4.8336 8.1959 128.7963 59.5684 38.6399 176.0069 84 R 3.6315 8.5138 127.9588 56.5869 30.3088 176.3731 85 G 4.4080 8.3383 115.9841 44.2724 0.0000 172.9773 86 G 3.6471 8.7665 107.6321 47.4086 0.0000 173.2905 87 T 4.5357 7.5946 108.3841 59.6951 71.5398 173.4953 88 A 4.4628 8.3689 121.3416 52.7427 18.7878 178.6448 89 H 4.2662 8.3430 119.9595 60.2591 29.8838 176.8788 90 F 4.0090 8.4744 121.9617 61.5720 39.0192 176.6451 91 E 3.5961 7.9571 118.3748 59.5450 29.3342 178.4038 92 Y 4.3142 7.3721 115.9457 60.7414 38.2320 177.6602 93 V 3.6522 7.6900 119.2773 65.9503 31.6081 177.8786 94 A 4.0811 7.8050 120.1551 55.1988 18.0766 179.5897 95 G 3.6249 8.1723 104.6986 47.7539 0.0000 176.0346 96 G 3.8710 8.7013 108.3798 45.8839 0.0000 174.8459 97 A 4.2498 7.8705 122.7249 54.3975 19.5982 179.1761 98 S 4.1158 8.2885 111.8833 61.8616 62.4264 176.2664 99 N 4.4436 8.4650 119.3494 55.9357 38.3192 177.4285 100 G 3.7195 7.7345 106.7039 48.0190 0.0000 175.4911 101 L 3.9885 8.0145 121.6782 57.2630 41.8740 179.5004 102 A 3.9801 8.0263 120.5468 55.1785 18.2470 179.5739 103 S 3.9564 8.2291 111.5086 61.5176 62.4656 176.1477 104 V 3.5511 7.7715 120.7140 66.2765 31.1092 177.7455 105 A 4.3801 7.8368 121.2147 54.7993 18.0040 179.3961 106 Q 3.8912 7.6733 116.4653 59.2452 29.1506 177.9232 107 D 4.5129 8.0344 119.3411 57.1587 41.2299 178.5315 108 S 4.3471 8.2940 112.7168 58.6989 63.4416 175.4862 109 G 3.8795 8.0891 109.5466 45.7644 0.0000 173.6947 110 V 3.9783 7.6360 121.1077 61.5657 33.0329 173.6192 111 P 4.5945 0.0000 0.0000 62.6568 32.5052 175.1884 112 V 4.8980 8.3910 123.3655 61.0222 34.2009 174.1899 113 A 4.4778 8.8598 130.2157 50.8178 20.5045 176.2914 114 F 4.8224 9.0047 126.8245 56.3114 38.2067 175.8621 115 G 3.9400 8.0650 117.7801 44.9154 0.0000 170.9671 116 V 4.5479 6.1145 117.4785 60.5518 34.0128 176.0540 117 L 4.2362 8.7958 129.5772 55.1269 42.7206 176.6471 118 T 5.2485 8.5031 113.0940 59.8709 68.7615 172.6569 119 T 4.5870 8.7389 120.9338 61.0661 71.9158 175.3222 120 E 4.0840 9.8165 120.8076 57.2768 30.4928 177.2457 121 S 4.7133 7.5947 111.9964 55.5830 67.6456 174.8075 122 I 3.6894 8.2188 123.1361 64.2700 36.8202 177.9712 123 E 3.9192 8.2520 119.8496 59.7886 29.1133 179.0090 124 Q 4.1654 7.8723 115.9800 58.7779 29.1520 178.2278 125 A 4.1641 7.8229 121.7204 55.4161 18.1600 179.7448 126 I 3.7586 7.8877 118.1857 64.6356 37.1121 178.5459 127 E 4.5419 8.0377 120.3188 58.1726 29.2428 178.4737 128 R 4.5249 7.8921 115.4064 55.7276 30.4868 176.7282 129 A 4.8227 7.1719 121.5053 52.7372 19.4353 177.1484 130 G 4.4522 7.9081 108.1030 48.0821 0.0000 175.4405 131 T 4.6109 7.5535 114.9512 60.0622 68.8076 175.7544 132 K 3.7903 9.2161 117.0455 59.3202 31.7857 177.7514 133 A 4.5689 7.7905 119.3339 52.0314 20.0068 178.8666 134 G 3.7500 8.0765 110.6709 47.2223 0.0000 173.7206 135 N 5.3311 8.2391 117.7236 50.9599 40.9448 175.5552 136 K 3.9708 8.9714 129.0870 59.3582 32.0578 178.8429 137 G 4.0905 8.2830 107.6532 47.3102 0.0000 175.4687 138 A 3.9673 7.8899 123.0887 54.3284 18.4526 179.2706 139 E 3.8623 8.3965 117.9194 59.3854 29.7406 178.9158 140 A 4.0599 8.6123 122.4556 54.3865 18.4018 179.3922 141 A 3.9075 8.2790 119.6905 55.3229 18.4100 179.9523 142 L 3.9337 7.9753 117.6536 58.1893 41.3941 179.8536 143 T 3.9353 8.1216 109.4426 64.5761 68.4437 176.2091 144 A 3.9927 7.9223 123.7640 55.0425 18.4695 179.1469 145 L 3.8596 7.8868 117.0455 58.1516 41.8158 179.2551 146 E 4.1680 8.4210 120.5000 59.0576 29.4668 178.8630 147 M 4.0425 8.0167 118.2799 58.4493 31.9481 178.4752 148 I 3.6837 7.6285 119.8637 64.7798 37.2869 178.1915 149 N 4.3051 7.9735 116.3797 56.2627 38.1743 177.4493 150 V 3.5762 7.9448 118.8811 66.2903 31.7502 177.8296 151 L 4.0738 8.4823 118.8154 57.6790 41.3560 179.2248 152 K 3.8767 8.1288 118.8574 59.5021 32.1752 176.8922 153 A 4.4766 8.0513 120.2308 51.8192 19.5268 177.2390 154 I 3.8677 7.8031 120.9829 63.1867 37.7664 173.9205 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 4.68 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 8.79 4.60 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 4.37 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 8.62 4.45 0.00 1.71 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 4.56 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 8.19 5.05 0.00 2.73 2.64 0.00 0.00 6.85 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 8.16 3.95 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.09 4.28 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 10 A 8.30 4.64 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 11 P 0.00 4.70 0.00 2.23 2.38 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 1.95 0.00 12 D 8.07 4.59 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 7.68 4.61 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 14 R 9.56 4.83 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 8.82 4.94 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 0.91 0.00 0.00 0.95 0.00 0.00 16 A 8.44 4.93 0.29 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 17 I 8.67 4.82 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 1.16 0.90 0.74 0.00 0.00 18 T 8.60 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 8.43 5.07 0.72 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.20 0.36 0.00 0.00 20 A 8.67 5.63 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 9.09 4.45 0.00 2.08 2.52 0.00 3.06 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.69 0.00 22 F 8.23 4.65 0.00 3.16 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 23 N 9.90 4.64 0.00 2.97 2.98 0.00 0.00 6.88 8.01 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 24 Q 8.38 4.17 0.00 2.52 2.76 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 8.48 3.84 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 8.22 4.19 2.11 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 1.66 0.75 0.95 0.00 0.00 27 N 8.30 4.36 0.00 2.87 2.92 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 8.77 4.58 0.00 2.66 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 29 S 7.96 4.08 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 7.82 4.07 0.00 1.92 1.63 0.94 0.55 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 8.42 3.85 0.00 1.77 1.79 0.77 1.06 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 32 D 8.48 4.50 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.17 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 34 A 7.82 3.92 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 35 V 7.92 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 0.97 0.00 0.00 0.91 0.00 0.00 36 D 8.23 4.30 0.00 2.81 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 8.31 3.93 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 8.48 3.87 0.00 1.84 1.72 0.89 0.65 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 39 T 8.33 4.22 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 40 R 8.22 3.86 0.00 1.84 2.24 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 41 I 7.79 4.25 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 1.45 0.97 0.91 0.00 0.00 42 G 7.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.07 3.78 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.52 3.85 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 0.99 0.00 0.00 45 K 8.59 4.18 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.87 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 8.81 4.72 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 4.81 0.00 2.78 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 48 N 8.61 4.70 0.00 2.87 3.00 0.00 0.00 6.91 7.45 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 49 I 7.59 5.01 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 0.53 0.89 0.00 0.00 50 T 8.81 4.73 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 8.40 4.62 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 0.47 0.00 0.00 0.83 0.00 0.00 52 V 9.02 4.30 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 1.01 0.00 0.00 0.86 0.00 0.00 53 W 8.97 4.79 0.00 3.23 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 8.80 4.36 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 0.86 0.00 0.00 1.09 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.30 0.00 3.75 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 2.05 0.00 56 G 7.96 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 0.00 0.00 0.00 0.00 57 A 8.48 4.05 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 8.17 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 8.20 4.11 0.00 2.02 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 2.61 2.58 0.00 60 L 7.55 3.88 0.00 1.80 1.71 0.88 0.91 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 4.17 0.00 2.02 1.87 0.00 3.66 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 2.06 2.10 0.00 62 L 7.77 3.85 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 1.83 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.82 3.98 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 64 T 8.15 3.82 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 65 E 8.94 3.84 0.00 2.00 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 7.98 4.01 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 67 L 7.62 4.07 0.00 1.78 1.66 0.65 0.71 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 8.31 4.23 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 69 K 8.27 3.97 0.00 1.86 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 1.65 1.60 7.81 70 S 8.16 4.21 0.00 3.91 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 71 G 8.45 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 72 K 7.71 3.93 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.91 5.11 0.00 3.08 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 9.32 4.70 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 7.33 4.52 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.73 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 0.94 0.00 0.00 0.85 0.00 0.00 77 V 8.85 4.37 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.56 4.92 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 7.90 5.40 0.00 1.39 1.40 0.86 0.69 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 80 G 7.67 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 0.00 0.00 0.00 0.00 81 T 8.52 5.09 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 9.12 4.22 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 0.89 0.00 0.00 0.87 0.00 0.00 83 I 8.20 4.83 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 0.69 0.84 0.00 0.00 84 R 8.51 3.63 0.00 0.67 1.38 0.00 3.06 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.34 4.41 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 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 7.59 4.54 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 8.37 4.46 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 89 H 8.34 4.27 0.00 3.27 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.88 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 4.01 0.00 3.10 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 91 E 7.96 3.60 0.00 1.94 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 2.01 2.18 0.00 92 Y 7.37 4.31 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.69 3.65 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 1.05 0.00 0.00 0.76 0.00 0.00 94 A 7.81 4.08 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 8.17 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 96 G 8.70 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 7.87 4.25 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 98 S 8.29 4.12 0.00 3.69 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 99 N 8.46 4.44 0.00 2.80 2.83 0.00 0.00 6.96 7.70 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 0.00 100 G 7.73 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 0.00 0.00 0.00 101 L 8.01 3.99 0.00 2.04 1.82 1.04 0.91 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 0.00 102 A 8.03 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 8.23 3.96 0.00 3.98 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 7.77 3.55 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 1.06 0.00 0.00 0.98 0.00 0.00 105 A 7.84 4.38 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 0.00 106 Q 7.67 3.89 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.03 4.51 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 8.29 4.35 0.00 4.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.09 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.64 3.98 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 1.00 0.00 0.00 111 P 0.00 4.59 0.00 2.12 1.96 0.00 3.77 0.00 0.00 3.83 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 8.39 4.90 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 8.86 4.48 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 9.00 4.82 0.00 3.01 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 0.00 115 G 8.07 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 6.11 4.55 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 0.69 0.00 0.00 -0.03 0.00 0.00 117 L 8.80 4.24 0.00 1.61 1.58 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.50 5.25 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 1.23 0.00 0.00 119 T 8.74 4.59 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 1.23 0.00 0.00 120 E 9.82 4.08 0.00 1.95 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 7.59 4.71 0.00 3.94 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 0.00 122 I 8.22 3.69 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 1.48 0.67 0.87 0.00 0.00 123 E 8.25 3.92 0.00 2.06 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 2.38 2.49 0.00 124 Q 7.87 4.17 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 125 A 7.82 4.16 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 0.00 126 I 7.89 3.76 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.04 0.99 0.00 0.00 127 E 8.04 4.54 0.00 2.24 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 2.40 0.00 128 R 7.89 4.52 0.00 1.89 1.94 0.00 3.12 0.00 0.00 3.19 7.50 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 7.17 4.82 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 0.00 130 G 7.91 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 7.55 4.61 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 1.23 0.00 0.00 132 K 9.22 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.79 4.57 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 0.00 134 G 8.08 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 0.00 135 N 8.24 5.33 0.00 2.70 2.66 0.00 0.00 6.93 7.15 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 0.00 136 K 8.97 3.97 0.00 1.81 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.28 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 0.00 138 A 7.89 3.97 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 8.40 3.86 0.00 2.04 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 0.00 2.31 2.33 0.00 140 A 8.61 4.06 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 0.00 141 A 8.28 3.91 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 0.00 142 L 7.98 3.93 0.00 2.01 1.72 0.91 0.56 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 8.12 3.94 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 1.24 0.00 0.00 144 A 7.92 3.99 1.44 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 0.00 0.00 0.00 145 L 7.89 3.86 0.00 1.86 1.90 0.97 0.82 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 0.00 146 E 8.42 4.17 0.00 2.00 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 2.32 2.24 0.00 147 M 8.02 4.04 0.00 2.09 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 2.88 0.00 148 I 7.63 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 1.69 0.83 0.92 0.00 0.00 149 N 7.97 4.31 0.00 2.87 2.86 0.00 0.00 6.72 8.50 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 0.00 150 V 7.94 3.58 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 0.83 0.00 0.00 0.99 0.00 0.00 151 L 8.48 4.07 0.00 1.91 1.69 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.13 3.88 0.00 1.84 2.09 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 8.05 4.48 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 0.00 154 I 7.80 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 0.73 0.91 0.00 0.00