NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9955 8.2127 109.7429 45.4932 0.0000 173.6938 3 L 3.8169 8.5443 119.4326 57.1873 41.7877 178.3167 4 L 3.9480 8.6402 120.3550 58.2917 42.7160 178.1298 5 S 4.2843 8.0617 114.5378 61.8906 62.7705 176.8674 6 R 4.0111 8.0365 120.3013 58.8110 29.5977 178.6832 7 L 4.1175 8.0114 117.5844 56.5992 41.8189 178.4964 8 R 4.3329 7.4853 116.7101 56.9423 30.5282 177.5464 9 K 4.3305 7.7474 116.4135 55.1362 32.6306 176.1729 10 R 3.8730 7.7721 116.6833 57.0981 27.6086 176.0091 11 E 4.2529 8.2314 117.3495 55.0207 30.2557 175.6238 12 P 4.4339 0.0000 0.0000 62.2112 32.1656 176.2262 13 I 3.7440 8.1966 121.6979 61.6452 37.5749 177.0488 14 S 4.6026 8.4789 120.5389 57.3393 65.7599 175.2610 15 I 3.6840 8.1763 122.4831 64.5270 36.7669 177.6349 16 Y 4.1321 8.1920 120.4664 61.3586 38.1039 178.4118 17 D 4.3910 8.1940 118.8643 56.7288 40.6907 178.7883 18 K 3.8012 7.8172 120.1509 59.2006 32.3605 178.3487 19 I 4.0738 7.7835 111.1599 61.1545 37.9823 175.4364 20 G 3.3879 7.9709 109.1685 44.8048 0.0000 175.6326 21 G 2.6704 8.1031 110.6950 44.7065 0.0000 173.5011 22 H 4.2155 8.7982 116.4626 59.6598 29.6393 178.1245 23 E 4.2645 8.4545 120.8377 58.9500 29.4554 179.1077 24 A 4.0097 7.8380 120.2563 55.0353 18.4161 179.5636 25 I 3.8102 7.6363 118.0773 64.1513 37.1992 178.3062 26 E 3.9973 8.2446 119.7121 59.5755 29.3711 179.6276 27 V 3.7285 7.6093 118.1737 65.7682 31.4675 178.3437 28 V 3.5434 7.6921 117.5824 66.1202 31.6141 178.2181 29 V 3.7890 8.2054 118.3802 65.8596 30.9866 177.4886 30 E 4.0191 8.2102 118.8695 59.5832 29.0863 178.4854 31 D 4.1907 8.0714 117.3841 56.7888 41.2101 177.8061 32 F 4.2731 8.4454 121.9135 61.7180 39.4530 176.6595 33 Y 3.8369 7.6472 114.7281 59.7415 37.1137 178.2463 34 V 3.5479 7.2949 119.8201 66.0658 31.4281 178.1858 35 R 3.8616 7.4406 116.3377 58.9833 30.0135 178.9992 36 V 3.4726 7.3400 118.0711 65.8392 31.3754 177.7690 37 L 4.1409 7.5867 115.5913 56.1139 41.6411 178.0652 38 A 4.4881 7.3113 118.8365 51.8081 19.6828 176.6073 39 D 4.5054 7.3061 118.7185 53.7238 41.4443 176.8953 40 D 4.5344 8.7536 126.9180 56.8948 41.0332 177.2294 41 Q 4.4758 8.5155 116.7097 56.6726 29.4888 176.3773 42 L 5.0919 7.7596 115.7508 54.9210 44.8828 178.3289 43 S 4.2199 8.4980 113.4607 61.3890 62.3272 176.2947 44 A 4.0898 8.0535 122.2490 54.8860 18.3532 179.3466 45 F 3.9795 8.0466 113.8142 59.9858 39.0432 176.2007 46 F 4.6232 8.2113 117.5409 56.9139 39.0007 175.1038 47 S 4.2377 7.6765 117.2709 59.6504 62.0895 174.0932 48 G 3.9059 9.0611 116.0126 45.9734 0.0000 172.3005 49 T 4.4232 7.2775 108.8590 59.5822 70.5541 175.3162 50 N 4.5069 8.4158 122.2217 53.5988 38.4423 175.3465 51 M 3.9776 8.3476 128.2973 57.9300 32.3366 178.2640 52 S 4.0485 8.0415 112.9079 61.4363 62.7904 176.1149 53 R 3.9029 8.0689 120.8796 59.2342 29.8519 177.9611 54 L 3.9606 8.3286 120.6160 57.9868 41.9888 178.9207 55 K 4.1366 8.3793 118.9517 59.5760 32.0596 179.2153 56 G 3.8042 7.9371 105.2685 48.1208 0.0000 175.8072 57 K 4.1986 8.0363 120.8788 59.0676 31.9630 179.7491 58 V 3.4950 8.2346 118.8643 65.5948 31.3524 178.3049 59 V 3.6900 8.2833 118.5888 66.0446 31.3658 177.5097 60 E 4.0753 8.3054 119.0738 59.3373 29.3655 178.5964 61 F 3.6840 8.5051 120.5317 61.2059 39.5117 176.9114 62 F 4.6019 8.3927 117.4553 60.8368 38.7496 177.4067 63 A 4.2614 8.5826 120.2997 55.5247 18.0529 179.6236 64 A 3.8228 7.8789 118.4777 55.0215 18.2447 179.7324 65 A 3.8714 7.9502 118.8235 54.3291 18.5548 178.7260 66 L 4.5689 7.9787 116.7148 54.3462 41.6787 177.4980 67 G 3.9301 7.6994 106.3352 46.1003 0.0000 174.6644 68 G 3.1403 7.6950 108.9041 43.5126 0.0000 172.9833 69 P 4.2793 0.0000 0.0000 64.1029 31.7564 176.2494 70 E 4.6315 7.4968 118.1835 53.4749 31.4780 174.0367 71 P 4.3709 0.0000 0.0000 62.4624 32.0783 175.4578 72 Y 4.3948 8.5677 122.9257 57.8560 39.1306 175.8753 73 T 4.3608 8.5889 116.7035 61.2315 69.9224 175.4270 74 G 3.6462 5.7552 111.3222 44.2204 0.0000 173.0270 75 A 4.4304 8.3049 122.4909 50.6409 20.0161 176.6492 76 P 4.6844 0.0000 0.0000 62.7190 33.3654 177.9933 77 M 4.0854 8.6257 119.8744 58.2889 31.7902 179.1493 78 K 4.2966 7.9391 120.6736 59.0211 32.3448 178.3715 79 Q 4.0028 8.0471 118.0752 59.3123 29.1138 178.2302 80 V 3.7254 7.5518 118.6101 64.7532 31.4725 177.0699 81 H 4.6387 7.5989 113.6881 54.4009 29.1980 175.1794 82 Q 3.9722 7.2844 124.1031 57.1923 29.2421 175.9089 83 G 3.9042 8.9801 113.0810 46.5973 0.0000 173.9222 84 R 4.4663 8.0704 116.7495 54.7575 31.4031 176.5167 85 G 3.9981 8.2052 105.3295 46.4511 0.0000 173.7121 86 I 3.8196 7.7393 121.0504 60.8217 37.8570 176.0781 87 T 4.4941 8.4686 115.5780 60.2843 72.4602 175.4062 88 M 4.1528 8.3957 119.7606 58.5150 31.9565 178.4418 89 H 4.1734 8.2255 118.2890 59.4769 30.0561 176.9493 90 H 4.2450 7.7570 116.7075 58.8344 28.5453 177.2800 91 F 3.9900 8.3459 122.4674 61.7450 39.1493 177.4014 92 S 4.2046 8.3448 114.4808 61.5863 62.5780 176.7059 93 L 3.9112 7.8091 121.3297 57.5754 41.2694 179.8042 94 V 3.6492 7.7984 117.9586 66.0668 31.4919 177.8921 95 A 3.8963 8.0555 121.0189 55.0312 18.1354 179.8327 96 G 3.4724 8.1621 104.1539 48.3504 0.0000 175.6784 97 H 4.3416 8.2862 118.9236 58.3925 28.6894 177.7150 98 L 3.5992 8.3093 122.1108 57.8805 41.8313 178.7822 99 A 3.8950 8.0886 120.9160 55.4497 18.3390 179.4397 100 D 4.2935 8.2466 117.0162 57.2432 40.9351 178.8865 101 A 4.2945 7.8964 122.6058 54.3847 18.4604 179.6571 102 L 3.8921 7.9787 117.6093 58.0390 41.6452 179.8193 103 T 3.7635 8.0431 115.4612 66.7364 68.2534 176.4136 104 A 3.9962 7.8061 120.8261 55.1699 18.4569 178.9496 105 A 4.1732 7.7355 116.7937 53.0132 18.6099 178.5085 106 G 3.8153 7.8392 105.5392 45.0060 0.0000 173.9316 107 V 3.6544 7.3426 119.8740 61.6006 32.1284 174.8893 108 P 4.3551 0.0000 0.0000 62.5330 33.1616 177.2990 109 S 4.0855 8.7775 117.7536 62.3647 62.8744 177.3261 110 E 4.0147 8.0786 120.2774 59.5683 29.1938 179.2638 111 T 4.0171 7.7970 115.3284 66.1921 68.6718 177.0112 112 I 3.6423 7.6911 122.0068 64.5399 37.2126 178.4186 113 T 3.8503 7.9104 116.6186 66.6982 67.7638 176.2486 114 E 3.9495 8.0305 120.9522 59.2394 29.5970 178.9763 115 I 3.6934 7.9824 120.2952 64.3609 37.1194 178.4612 116 L 4.0866 8.4807 120.1202 57.3960 41.1272 179.6673 117 G 3.6318 7.6798 104.6300 47.1754 0.0000 175.7423 118 V 3.8348 7.1702 118.9262 65.6986 31.8866 178.0564 119 I 4.0105 8.0797 119.4106 64.3495 37.0999 177.8493 120 A 4.2633 8.3250 122.1139 55.2865 17.7264 177.9663 121 P 4.2891 0.0000 0.0000 65.1799 31.3783 178.0379 122 L 4.2725 8.5002 117.2105 56.0708 41.6148 178.6301 123 A 3.2060 7.5653 121.6471 54.3798 17.7830 179.9843 124 V 3.4931 7.0079 110.0217 64.5888 31.7290 178.1561 125 D 4.4730 7.8575 117.9665 57.2364 40.7493 178.8640 126 V 3.4562 7.5257 119.7742 66.6518 31.6938 176.4959 *127 T 4.5552 7.4905 113.3308 61.0451 69.0868 175.0695 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 2 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.54 3.82 0.00 2.04 1.69 1.01 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.64 3.95 0.00 1.67 1.69 0.93 0.91 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 5 S 8.06 4.28 0.00 4.06 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 6 R 8.04 4.01 0.00 2.04 1.99 0.00 3.26 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 7 L 8.01 4.12 0.00 1.71 1.73 0.93 0.79 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 8 R 7.49 4.33 0.00 1.85 1.98 0.00 3.15 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.00 0.00 9 K 7.75 4.33 0.00 1.85 1.83 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.69 7.81 10 R 7.77 3.87 0.00 1.95 2.01 0.00 3.20 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 11 E 8.23 4.25 0.00 2.03 1.89 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 2.34 2.41 0.00 12 P 0.00 4.43 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 13 I 8.20 3.74 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 1.48 0.54 0.92 0.00 0.00 14 S 8.48 4.60 0.00 4.29 4.04 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 15 I 8.18 3.68 2.00 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 1.51 0.68 0.88 0.00 0.00 16 Y 8.19 4.13 0.00 3.15 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 17 D 8.19 4.39 0.00 2.81 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 18 K 7.82 3.80 0.00 1.91 1.98 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 19 I 7.78 4.07 1.79 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 1.68 0.60 0.91 0.00 0.00 20 G 7.97 3.39 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 0.00 0.00 0.00 0.00 21 G 8.10 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.80 4.22 0.00 3.50 3.43 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.45 4.26 0.00 2.04 1.99 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 2.44 2.27 0.00 24 A 7.84 4.01 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 25 I 7.64 3.81 1.91 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 1.52 0.79 1.06 0.00 0.00 26 E 8.24 4.00 0.00 2.26 2.04 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 2.35 2.48 0.00 27 V 7.61 3.73 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 28 V 7.69 3.54 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 29 V 8.21 3.79 2.33 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 1.26 0.00 0.00 1.22 0.00 0.00 30 E 8.21 4.02 0.00 2.45 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 0.00 2.35 2.41 0.00 31 D 8.07 4.19 0.00 2.86 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 32 F 8.45 4.27 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 33 Y 7.65 3.84 0.00 3.07 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.29 3.55 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 1.01 0.00 0.00 0.99 0.00 0.00 35 R 7.44 3.86 0.00 1.80 1.82 0.00 3.39 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 36 V 7.34 3.47 1.60 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 0.64 0.00 0.00 0.19 0.00 0.00 37 L 7.59 4.14 0.00 1.63 1.64 0.81 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.31 4.49 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 39 D 7.31 4.51 0.00 2.81 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 40 D 8.75 4.53 0.00 2.75 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 41 Q 8.52 4.48 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 42 L 7.76 5.09 0.00 1.98 1.96 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.50 4.22 0.00 4.13 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 44 A 8.05 4.09 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.05 3.98 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.21 4.62 0.00 3.19 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 47 S 7.68 4.24 0.00 3.90 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.06 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 0.00 0.00 0.00 49 T 7.28 4.42 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 50 N 8.42 4.51 0.00 2.77 2.77 0.00 0.00 7.17 7.65 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 51 M 8.35 3.98 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 52 S 8.04 4.05 0.00 3.88 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 53 R 8.07 3.90 0.00 1.91 2.02 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 54 L 8.33 3.96 0.00 1.71 1.63 1.00 0.43 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 55 K 8.38 4.14 0.00 2.08 1.94 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.68 1.48 7.81 56 G 7.94 3.80 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 0.00 0.00 0.00 57 K 8.04 4.20 0.00 2.05 2.07 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.64 7.81 58 V 8.23 3.49 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 0.88 0.00 0.00 1.07 0.00 0.00 59 V 8.28 3.69 2.29 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 0.96 0.00 0.00 1.06 0.00 0.00 60 E 8.31 4.08 0.00 2.49 2.42 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 2.49 2.45 0.00 61 F 8.51 3.68 0.00 2.76 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 62 F 8.39 4.60 0.00 3.22 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 63 A 8.58 4.26 1.58 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 0.00 0.00 0.00 64 A 7.88 3.82 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 65 A 7.95 3.87 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.98 4.57 0.00 1.82 1.79 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.70 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 68 G 7.70 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.28 0.00 2.12 2.12 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 70 E 7.50 4.63 0.00 1.90 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 2.15 2.20 0.00 71 P 0.00 4.37 0.00 2.03 1.99 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 72 Y 8.57 4.39 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.59 4.36 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 1.22 0.00 0.00 74 G 5.76 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 75 A 8.30 4.43 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 76 P 0.00 4.68 0.00 2.24 2.08 0.00 3.78 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 2.16 2.26 0.00 77 M 8.63 4.09 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 78 K 7.94 4.30 0.00 1.84 1.82 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.36 7.81 79 Q 8.05 4.00 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 80 V 7.55 3.73 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 0.69 0.00 0.00 0.82 0.00 0.00 81 H 7.60 4.64 0.00 3.14 3.43 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.28 3.97 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.29 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 83 G 8.98 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 0.00 0.00 0.00 84 R 8.07 4.47 0.00 1.95 2.07 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 85 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.74 3.82 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.61 0.80 0.00 0.00 87 T 8.47 4.49 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 1.30 0.00 0.00 88 M 8.40 4.15 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 89 H 8.23 4.17 0.00 3.24 3.25 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 7.76 4.25 0.00 3.46 3.25 0.00 5.69 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 91 F 8.35 3.99 0.00 3.15 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 92 S 8.34 4.20 0.00 4.12 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 93 L 7.81 3.91 0.00 2.02 1.73 0.85 0.65 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 94 V 7.80 3.65 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 1.28 0.00 0.00 1.05 0.00 0.00 95 A 8.06 3.90 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 96 G 8.16 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 97 H 8.29 4.34 0.00 3.51 3.44 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.31 3.60 0.00 1.06 1.53 -0.12 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.09 3.90 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 0.00 100 D 8.25 4.29 0.00 2.89 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 0.00 101 A 7.90 4.29 1.46 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 0.00 102 L 7.98 3.89 0.00 1.79 1.64 0.72 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.04 3.76 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 1.19 0.00 0.00 104 A 7.81 4.00 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 0.00 105 A 7.74 4.17 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 0.00 106 G 7.84 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 0.00 0.00 0.00 107 V 7.34 3.65 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 0.73 0.00 0.00 0.91 0.00 0.00 108 P 0.00 4.36 0.00 2.17 1.93 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 109 S 8.78 4.09 0.00 3.84 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 0.00 110 E 8.08 4.01 0.00 2.03 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 0.00 2.38 2.44 0.00 111 T 7.80 4.02 4.20 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 1.17 0.00 0.00 112 I 7.69 3.64 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.83 0.00 0.00 113 T 7.91 3.85 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 1.20 0.00 0.00 114 E 8.03 3.95 0.00 2.12 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 2.28 2.33 0.00 115 I 7.98 3.69 1.92 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 1.40 0.39 0.66 0.00 0.00 116 L 8.48 4.09 0.00 1.75 1.71 0.88 0.84 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 0.00 117 G 7.68 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.17 3.83 2.22 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 0.95 0.00 0.00 0.96 0.00 0.00 119 I 8.08 4.01 1.87 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 1.54 0.45 0.96 0.00 0.00 120 A 8.32 4.26 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.29 0.00 2.20 2.13 0.00 3.68 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 2.21 2.20 0.00 122 L 8.50 4.27 0.00 2.05 1.87 1.32 1.07 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 0.00 123 A 7.57 3.21 0.26 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 0.00 124 V 7.01 3.49 2.04 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 0.71 0.00 0.00 0.97 0.00 0.00 125 D 7.86 4.47 0.00 2.84 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 0.00 126 V 7.53 3.46 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.89 0.00 0.00 *127 T 7.49 4.56 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.