NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2170 8.1627 120.2873 54.8493 33.4971 175.3774 2 E 3.6914 8.9119 125.0417 59.0691 29.6271 177.1568 3 A 4.1313 8.1955 120.5531 55.2390 18.8909 179.2197 4 V 3.6640 7.5545 116.1988 66.1919 31.7497 178.3645 5 K 4.2202 8.1846 118.2298 59.4144 31.8117 179.5764 6 T 3.8779 8.4500 116.7051 66.5092 68.3432 176.2129 7 F 4.1392 8.2801 122.4262 61.5707 39.3733 176.6056 8 N 4.1239 8.7338 116.2953 56.5694 38.4490 177.4692 9 S 4.1019 8.1255 116.1209 61.6571 62.7416 176.5952 10 E 3.8973 7.7463 119.7251 59.2567 29.6367 179.0290 11 L 3.6439 7.5561 120.5236 58.2541 42.1641 178.4514 12 Y 4.0701 8.0796 119.7944 60.2631 38.6449 177.1869 13 S 4.4801 8.0619 113.4148 59.2510 63.2752 175.6557 14 L 4.0160 7.6780 123.5992 58.5194 41.1727 178.6968 15 N 4.0083 7.7303 114.2946 55.0138 38.4496 176.2466 16 D 4.4478 8.1268 119.6785 54.6430 41.5009 175.6770 17 Y 4.7709 7.5287 116.8595 55.6525 40.9875 174.9978 18 K 4.2834 8.6392 124.6722 55.0095 33.1158 175.0713 19 P 4.5940 0.0000 0.0000 61.2701 32.0222 174.3874 20 P 4.3790 0.0000 0.0000 62.9577 31.7314 176.1352 21 I 4.0528 8.2099 122.5931 60.5271 38.2432 176.7755 22 S 4.3020 8.3375 119.7565 58.1753 64.8002 175.4053 23 K 3.8866 8.5115 123.1807 59.4297 32.0942 178.9661 24 A 3.9182 7.8364 120.6808 55.0698 18.4129 179.3559 25 K 3.7516 7.7257 117.6601 59.7658 32.1958 178.6501 26 M 4.0050 7.8937 118.2693 58.9630 32.1304 178.3373 27 T 3.8858 8.1639 116.1023 66.4974 68.5319 176.6847 28 Q 3.9598 7.9646 119.6408 59.0899 28.8198 178.7318 29 I 3.7210 7.6488 120.7157 64.8731 37.1741 178.7176 30 T 3.9452 8.1215 116.4080 66.5149 68.2411 176.9320 31 K 3.9886 8.6276 120.6452 59.4689 32.1695 179.1698 32 A 4.0993 8.1989 120.7773 55.1178 18.0965 179.5118 33 A 3.7385 8.0568 118.2175 55.4274 18.7715 179.6655 34 I 4.0995 7.9461 118.3001 64.5932 36.9835 178.9068 35 K 4.2100 8.3509 118.1860 58.7347 31.9609 178.0461 36 A 4.7506 7.7232 119.8920 52.0672 18.7284 178.4955 37 I 3.6061 7.6524 123.0340 65.3505 38.1091 177.3467 38 K 3.8803 8.0147 119.8415 58.6769 32.2712 177.2967 39 F 4.9432 7.9585 118.0393 57.2516 40.3157 177.6221 40 Y 4.1463 8.0324 119.9215 60.2771 37.6793 177.4246 41 K 3.6130 6.7850 119.6530 59.2718 32.0357 178.9044 42 H 4.1762 8.0126 116.1439 58.6496 28.7418 177.4717 43 V 3.4114 7.7225 120.1445 66.1681 31.1558 178.2396 44 V 3.2898 7.7633 117.5714 65.8571 31.2428 177.6230 45 Q 3.9966 7.9003 118.8271 59.4711 28.9260 178.4961 46 S 4.2857 8.6579 116.5219 61.7492 62.9240 176.9570 47 V 3.9067 8.4635 121.0764 66.1747 31.3502 177.9426 48 E 4.1490 8.8057 118.7066 59.3713 29.2402 179.3027 49 K 4.0314 8.5314 119.9123 59.2249 32.2061 178.5637 50 F 4.0445 8.4510 121.0400 61.6273 39.1544 177.3275 51 I 3.6962 7.9480 117.6899 64.1666 36.8657 177.9249 52 Q 4.0915 7.8820 120.0294 58.3504 29.0731 177.2435 53 K 4.3315 8.0683 117.5637 55.8750 33.0324 176.6621 54 C 4.0429 7.0521 114.1376 56.8498 30.4957 173.6649 55 K 4.1564 8.1772 119.5557 55.7485 32.3796 176.4454 56 P 4.1694 0.0000 0.0000 65.8066 31.3081 178.0246 57 E 4.0825 8.0256 113.1503 57.6437 30.0359 177.0605 58 Y 4.6189 7.9730 117.5035 57.7712 38.3794 177.3886 59 K 3.8909 7.7063 121.4067 59.4642 32.2306 179.2090 60 V 3.1643 7.4927 117.7032 65.5365 31.4247 175.8070 61 P 4.3792 0.0000 0.0000 65.7883 31.0072 178.6939 62 G 3.7202 8.4418 104.3508 47.7539 0.0000 175.4956 63 L 3.8857 8.1323 123.1252 58.1310 42.0864 178.6893 64 Y 4.4511 8.2616 117.1321 60.9660 37.6734 178.7472 65 V 3.6299 8.1750 119.5255 66.0681 31.6007 178.0861 66 I 3.3613 7.5095 119.5157 64.2817 36.8721 177.8127 67 D 4.7814 8.5609 118.9244 57.6969 41.0734 178.3027 68 S 4.1116 8.7008 113.8512 61.3708 62.3255 176.1247 69 I 3.5636 7.9210 122.5482 64.2877 36.7736 178.5989 70 V 3.6185 7.9301 119.0176 66.1809 31.4134 178.2769 71 R 3.9128 8.3643 118.2063 59.3773 29.9225 178.9398 72 Q 3.9740 8.4954 119.7862 58.9924 29.0221 178.1862 73 S 4.3288 8.5224 114.7628 61.5831 62.4832 176.3462 74 R 4.2497 8.3403 121.0373 59.4865 29.5051 178.6070 75 H 4.1737 8.1859 117.4533 59.1244 29.9752 176.7999 76 Q 3.8268 8.1735 120.8042 58.1192 29.0005 176.9266 77 F 4.7999 8.5801 116.0112 55.8806 40.8788 176.5996 78 G 4.0064 7.7061 106.7070 45.5612 0.0000 174.6813 79 Q 3.9786 8.8382 121.6147 59.0308 28.8477 178.5711 80 E 4.2366 8.0880 114.1498 57.5744 29.8375 177.3237 81 K 4.2353 7.6917 117.3396 56.7270 33.3174 176.6008 82 D 4.3533 7.3787 117.4603 55.0518 41.3016 176.4690 83 V 3.8588 7.9253 117.9795 61.8726 33.1131 178.2047 84 F 4.1854 8.4814 119.4270 60.2738 38.6853 177.2674 85 A 3.9688 8.4159 120.3888 54.9500 17.9031 177.8041 86 P 4.2334 0.0000 0.0000 65.7733 31.5799 178.5823 87 R 4.0850 7.8350 117.4389 59.5235 28.5362 178.5015 88 F 4.4767 8.8406 118.1066 60.5175 38.6382 177.5905 89 S 4.5642 7.9477 113.1650 60.7226 63.0380 175.7467 90 N 4.5438 7.7951 119.8407 56.2236 38.5781 176.5807 91 N 5.0185 7.4569 114.3158 53.2248 39.5407 176.9310 92 I 3.9026 7.8696 123.6510 64.0873 38.0486 177.7144 93 I 3.7585 7.7736 120.4259 64.4678 37.1160 177.9412 94 S 4.4309 8.0797 114.6766 61.1542 62.1261 175.9734 95 T 3.9134 8.2202 118.3807 67.0440 68.2182 176.5404 96 F 3.6600 8.6136 119.1364 59.9974 38.3734 177.9040 97 Q 4.1984 8.3402 118.1673 59.0992 28.4845 178.6515 98 N 4.3895 8.2988 117.4309 56.2694 38.4956 177.4608 99 L 3.7632 7.9141 120.6675 58.0900 41.7213 178.5436 100 Y 4.6919 7.9686 112.7971 59.2198 37.4844 176.0007 101 R 4.4644 7.7360 119.0998 56.1560 30.0540 176.3177 102 C 4.5829 7.4643 114.2779 56.6480 30.8122 171.4914 103 P 4.3581 0.0000 0.0000 62.1465 31.2042 177.9470 104 G 4.0609 8.9079 110.9205 49.1188 0.0000 175.1475 105 D 4.4366 7.9784 117.6583 56.3098 41.4043 177.2469 106 D 4.6037 8.4474 118.5943 54.8635 40.9655 178.2476 107 K 4.0939 7.7247 121.0560 59.4528 32.1879 178.7156 108 S 4.2294 8.0296 113.9597 61.0530 62.8797 176.4895 109 K 4.0445 7.8643 122.1103 59.1537 31.7555 179.2919 110 I 3.5764 7.6441 119.7108 64.4050 37.0647 178.4027 111 V 3.6367 7.6290 118.9573 65.9516 31.3474 177.7790 112 R 3.8451 7.9700 118.4813 59.5769 29.7812 178.6495 113 V 3.3582 7.4587 117.8217 65.8443 31.4798 177.9135 114 L 3.9072 7.6791 118.6685 57.9703 41.3664 179.3631 115 N 4.4432 8.4418 116.5905 56.2277 38.4035 177.5763 116 L 4.0639 8.0539 120.5403 57.5425 41.7062 179.4645 117 W 4.6003 8.6398 119.4356 59.9798 28.5819 178.3780 118 Q 4.1443 8.5209 119.5911 58.7900 28.3067 177.8562 119 K 4.0018 8.2237 120.0530 59.4684 32.3780 177.6782 120 N 4.7498 8.4004 113.4610 52.0850 38.9295 174.6023 121 N 4.2606 7.7390 116.0881 54.3974 36.7016 175.9925 122 V 3.6165 8.3303 119.7364 65.0824 32.0380 175.8021 123 F 4.7943 7.6594 115.5839 54.5764 43.0328 174.7338 124 K 4.4216 8.5296 122.6906 55.7831 34.2467 178.5990 125 S 4.3650 8.5714 115.3674 61.4924 62.6120 176.4054 126 E 4.0044 8.1476 121.5423 59.1744 28.3083 178.6971 127 I 3.9850 7.5450 119.2801 64.2765 37.5973 178.2977 128 I 3.8647 7.9131 120.6845 64.0836 36.8813 178.1865 129 Q 3.9631 8.1961 120.4832 58.9245 28.8698 176.7507 130 P 4.2702 0.0000 0.0000 65.4485 30.7758 178.6509 131 L 3.9966 7.2486 115.2620 57.5993 41.5963 179.4193 132 L 4.0591 7.9927 118.9505 58.0126 41.5823 179.3112 133 D 4.3821 8.4729 119.1538 57.5765 40.4635 178.7469 134 M 4.0053 8.1256 118.4222 58.1495 32.0168 178.3472 135 A 3.2643 7.4635 119.6059 54.8896 18.5917 179.5369 136 A 3.8623 7.7339 118.6508 55.2765 18.2768 179.6347 137 A 4.0526 7.7273 117.5390 54.5479 18.4667 179.4540 138 L 4.0265 7.3037 117.1501 57.4566 41.6941 176.9666 139 E 4.0960 7.8452 122.3382 56.7043 29.3968 176.6175 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 8.16 4.22 0.00 1.13 1.38 0.00 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.18 0.00 2 E 8.91 3.69 0.00 2.10 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 2.41 2.45 0.00 3 A 8.20 4.13 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 4 V 7.55 3.66 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 1.00 0.00 0.00 0.67 0.00 0.00 5 K 8.18 4.22 0.00 1.96 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.64 7.81 6 T 8.45 3.88 4.47 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 1.27 0.00 0.00 7 F 8.28 4.14 0.00 3.24 3.33 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 8 N 8.73 4.12 0.00 2.87 2.87 0.00 0.00 7.11 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 9 S 8.13 4.10 0.00 4.05 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 10 E 7.75 3.90 0.00 1.95 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 2.49 2.49 0.00 11 L 7.56 3.64 0.00 0.70 1.11 0.41 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.08 4.07 0.00 3.11 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 13 S 8.06 4.48 0.00 4.40 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 0.00 14 L 7.68 4.02 0.00 1.58 1.78 0.43 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.73 4.01 0.00 2.34 2.55 0.00 0.00 7.08 7.42 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 16 D 8.13 4.45 0.00 2.54 2.25 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 17 Y 7.53 4.77 0.00 3.01 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 18 K 8.64 4.28 0.00 1.75 1.75 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 P 0.00 4.59 0.00 1.93 1.87 0.00 3.52 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 20 P 0.00 4.38 0.00 2.20 2.09 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 21 I 8.21 4.05 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.91 0.83 0.00 0.00 22 S 8.34 4.30 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 23 K 8.51 3.89 0.00 1.84 1.81 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.53 7.81 24 A 7.84 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.73 3.75 0.00 1.51 1.54 0.00 1.34 0.00 0.00 1.40 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.69 1.22 7.81 26 M 7.89 4.01 0.00 2.17 2.13 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 2.60 2.63 0.00 27 T 8.16 3.89 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 28 Q 7.96 3.96 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 29 I 7.65 3.72 2.02 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.98 0.00 0.00 30 T 8.12 3.95 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 31 K 8.63 3.99 0.00 1.97 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.61 7.81 32 A 8.20 4.10 1.57 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 0.00 0.00 0.00 0.00 0.00 33 A 8.06 3.74 1.09 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 34 I 7.95 4.10 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.14 1.20 0.00 0.00 35 K 8.35 4.21 0.00 1.97 1.98 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.69 7.81 36 A 7.72 4.75 1.51 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 0.00 0.00 37 I 7.65 3.61 2.10 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.42 0.88 0.00 0.00 38 K 8.01 3.88 0.00 1.46 1.20 0.00 1.55 0.00 0.00 1.28 0.00 0.00 2.71 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 1.05 7.81 39 F 7.96 4.94 0.00 3.21 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 40 Y 8.03 4.15 0.00 2.11 2.79 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 0.00 0.00 0.00 41 K 6.78 3.61 0.00 1.41 1.57 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.99 0.21 7.81 42 H 8.01 4.18 0.00 3.45 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.72 3.41 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 0.33 0.00 0.00 0.81 0.00 0.00 44 V 7.76 3.29 1.86 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 0.78 0.00 0.00 0.41 0.00 0.00 45 Q 7.90 4.00 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 46 S 8.66 4.29 0.00 4.48 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 47 V 8.46 3.91 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 1.29 0.00 0.00 1.48 0.00 0.00 48 E 8.81 4.15 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.74 0.00 49 K 8.53 4.03 0.00 1.91 1.93 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 50 F 8.45 4.04 0.00 3.36 3.32 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 51 I 7.95 3.70 2.06 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 1.50 1.00 0.87 0.00 0.00 52 Q 7.88 4.09 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 53 K 8.07 4.33 0.00 1.75 1.79 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.56 7.81 54 C 7.05 4.04 0.00 2.41 1.53 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 55 K 8.18 4.16 0.00 2.10 2.01 0.00 1.85 0.00 0.00 2.03 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.47 7.81 56 P 0.00 4.17 0.00 2.13 2.09 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 57 E 8.03 4.08 0.00 1.80 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 1.57 1.78 0.00 58 Y 7.97 4.62 0.00 3.03 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 3.89 0.00 1.61 1.72 0.00 1.72 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.61 7.81 60 V 7.49 3.16 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 0.22 0.00 0.00 0.72 0.00 0.00 61 P 0.00 4.38 0.00 2.41 2.22 0.00 3.63 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 2.13 2.16 0.00 62 G 8.44 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 63 L 8.13 3.89 0.00 1.42 1.54 0.79 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.26 4.45 0.00 3.11 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 65 V 8.18 3.63 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 1.18 0.00 0.00 0.95 0.00 0.00 66 I 7.51 3.36 2.10 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.38 0.00 0.00 67 D 8.56 4.78 0.00 3.15 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 68 S 8.70 4.11 0.00 3.94 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 69 I 7.92 3.56 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.13 0.00 0.00 70 V 7.93 3.62 2.11 0.00 0.00 0.00 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 1.06 0.00 0.00 71 R 8.36 3.91 0.00 1.98 1.98 0.00 3.43 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 72 Q 8.50 3.97 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 73 S 8.52 4.33 0.00 4.22 4.28 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 74 R 8.34 4.25 0.00 2.03 1.97 0.00 3.01 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 75 H 8.19 4.17 0.00 3.18 3.50 0.00 5.94 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.17 3.83 0.00 1.84 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.49 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 77 F 8.58 4.80 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.71 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 0.00 0.00 0.00 79 Q 8.84 3.98 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 80 E 8.09 4.24 0.00 1.93 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 2.28 2.31 0.00 81 K 7.69 4.24 0.00 2.06 1.82 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.59 7.81 82 D 7.38 4.35 0.00 2.75 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 83 V 7.93 3.86 0.75 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 0.24 0.00 0.00 -0.39 0.00 0.00 84 F 8.48 4.19 0.00 3.31 3.31 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 85 A 8.42 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.23 0.00 1.98 2.11 0.00 3.64 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 87 R 7.84 4.08 0.00 2.09 2.03 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 88 F 8.84 4.48 0.00 3.41 3.22 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 89 S 7.95 4.56 0.00 4.17 4.51 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 90 N 7.80 4.54 0.00 2.86 2.99 0.00 0.00 6.87 9.28 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 91 N 7.46 5.02 0.00 3.01 2.87 0.00 0.00 6.76 7.23 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 92 I 7.87 3.90 2.11 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.59 0.94 0.00 0.00 93 I 7.77 3.76 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.97 0.00 0.00 94 S 8.08 4.43 0.00 3.95 4.06 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 95 T 8.22 3.91 4.62 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 1.16 0.00 0.00 96 F 8.61 3.66 0.00 3.20 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 97 Q 8.34 4.20 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 98 N 8.30 4.39 0.00 2.91 2.99 0.00 0.00 7.03 6.12 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 99 L 7.91 3.76 0.00 1.14 1.18 -0.55 0.55 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 0.00 100 Y 7.97 4.69 0.00 3.05 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 0.00 101 R 7.74 4.46 0.00 2.00 1.93 0.00 3.16 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 102 C 7.46 4.58 0.00 2.97 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 0.00 103 P 0.00 4.36 0.00 2.16 1.98 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 104 G 8.91 4.06 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 0.00 0.00 0.00 105 D 7.98 4.44 0.00 2.64 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 0.00 106 D 8.45 4.60 0.00 2.84 2.62 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 0.00 107 K 7.72 4.09 0.00 1.95 1.82 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.57 7.81 108 S 8.03 4.23 0.00 4.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.04 0.00 1.92 1.87 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.47 7.81 110 I 7.64 3.58 2.15 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 0.87 0.00 0.00 111 V 7.63 3.64 2.12 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 1.09 0.00 0.00 1.06 0.00 0.00 112 R 7.97 3.85 0.00 2.09 2.06 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 113 V 7.46 3.36 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 -0.11 0.00 0.00 1.01 0.00 0.00 114 L 7.68 3.91 0.00 1.89 1.69 0.94 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.44 4.44 0.00 2.95 2.88 0.00 0.00 7.05 7.56 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 0.00 116 L 8.05 4.06 0.00 1.88 1.80 0.91 0.79 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 0.00 117 W 8.64 4.60 0.00 3.64 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 0.00 118 Q 8.52 4.14 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 119 K 8.22 4.00 0.00 2.02 2.08 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.52 7.81 120 N 8.40 4.75 0.00 2.86 2.88 0.00 0.00 7.15 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 0.00 121 N 7.74 4.26 0.00 2.89 2.90 0.00 0.00 6.85 7.34 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 0.00 122 V 8.33 3.62 1.95 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 0.18 0.00 0.00 1.00 0.00 0.00 123 F 7.66 4.79 0.00 2.96 2.82 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 0.00 124 K 8.53 4.42 0.00 1.86 1.95 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.52 7.81 125 S 8.57 4.37 0.00 4.07 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 0.00 126 E 8.15 4.00 0.00 1.97 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 2.33 2.48 0.00 127 I 7.54 3.99 2.11 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.93 0.75 0.00 0.00 128 I 7.91 3.86 1.94 0.00 0.00 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 1.55 0.97 1.03 0.00 0.00 129 Q 8.20 3.96 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 130 P 0.00 4.27 0.00 2.18 2.09 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 131 L 7.25 4.00 0.00 1.57 1.22 0.15 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.99 4.06 0.00 1.87 1.72 0.99 0.88 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 0.00 133 D 8.47 4.38 0.00 2.83 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 0.00 134 M 8.13 4.01 0.00 2.07 2.45 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.62 0.00 135 A 7.46 3.26 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.73 3.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 7.73 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 0.00 138 L 7.30 4.03 0.00 1.66 1.65 0.63 0.82 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 0.00 139 E 7.85 4.10 0.00 2.04 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 2.39 2.37 0.00