NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3933 0.0000 0.0000 62.6104 33.4695 178.0978 3 Q 3.7593 8.1718 119.1220 58.7873 29.1877 177.0106 4 L 4.0254 8.7777 117.6009 58.2769 42.9364 178.1663 5 T 3.9898 8.0236 113.4503 65.9624 68.6039 174.6925 6 L 4.5325 8.2961 121.3631 53.2196 43.1175 176.5082 7 D 4.8905 8.2028 123.9693 51.4663 43.2701 176.9649 8 K 3.9112 8.5094 118.9391 59.8613 31.9053 178.3213 9 T 4.1137 7.9890 109.2829 64.1970 69.2794 176.5930 10 D 4.3759 8.4566 121.9964 57.0440 40.6859 178.6008 11 I 3.6529 7.7964 120.4203 64.2909 37.1396 178.0503 12 K 3.8181 7.8576 120.0176 59.8613 31.9556 178.6376 13 I 3.7172 7.7625 119.7387 64.4655 37.0380 178.4931 14 L 4.0372 7.8692 119.4025 57.7562 40.9195 179.5437 15 Q 3.9952 8.3576 118.3250 58.8514 28.5731 179.0005 16 V 3.6087 7.9310 119.2014 66.2156 31.7809 178.2109 17 L 4.2430 8.0825 118.5381 57.7452 41.1762 179.4838 18 Q 4.1051 8.0165 117.5955 58.8666 28.6766 178.1552 19 E 4.3953 7.7543 117.7519 57.4536 30.9231 176.6859 20 N 4.9739 8.3973 116.6283 51.0855 39.0157 175.0113 21 G 3.7804 8.3760 109.1986 47.2164 0.0000 171.6651 22 R 4.5391 7.1887 120.1737 55.8022 30.4942 175.5777 23 L 4.8257 8.0759 115.6367 52.9044 42.6909 177.7456 24 T 4.1116 8.3810 113.7753 61.2636 70.8994 174.9940 25 N 4.2564 8.5034 118.2749 56.9594 38.8795 176.9249 26 V 3.7824 7.6502 114.6378 63.7759 31.6962 178.3148 27 E 3.8953 7.9438 118.3713 59.3055 29.2692 178.8508 28 L 3.9611 8.0829 120.7400 58.4321 41.9236 179.2159 29 S 4.1349 8.6214 114.2968 61.5379 62.5866 176.0694 30 E 4.0632 7.8238 121.5760 58.4533 29.4683 178.0929 31 R 4.3412 7.6381 116.0877 56.5324 30.6038 176.9641 32 V 4.1267 7.3758 116.2514 61.4269 32.3522 174.5672 33 A 3.7905 7.9442 119.1294 54.0563 15.8482 176.7387 34 L 4.9007 7.7963 118.0272 53.2030 45.9118 177.9437 35 S 4.4941 8.2188 115.8756 57.4183 65.0968 173.7314 36 P 4.2494 0.0000 0.0000 65.9189 31.1238 178.9349 37 S 4.0483 8.0111 111.4253 60.8033 62.4494 174.1840 38 P 4.2191 0.0000 0.0000 66.0774 31.0927 177.4699 39 C 3.9547 8.1136 118.8660 62.2449 31.3942 175.4987 40 L 4.0440 8.4181 122.0537 57.9828 41.6370 178.9155 41 R 3.8904 8.0123 118.7694 59.4428 30.1809 178.7396 42 R 4.1725 8.3613 119.6305 58.6566 30.0727 178.7637 43 L 3.9698 8.0175 120.1000 58.0027 42.0092 178.7060 44 K 3.8827 8.1043 119.5386 59.8433 31.6629 178.6213 45 Q 4.0106 8.0765 118.0488 59.0219 28.6219 178.8782 46 L 4.0774 7.7957 119.6531 57.7893 41.7631 179.5232 47 E 3.9976 8.4096 118.5746 59.5665 29.2676 179.1177 48 D 4.3986 8.3177 117.9577 57.1862 40.9498 178.3637 49 A 4.1947 8.2562 120.5588 53.1648 18.3826 178.5084 50 G 3.8937 7.6498 104.6526 45.7394 0.0000 174.9433 51 I 3.6769 7.7223 121.1855 63.9776 37.1367 176.9373 52 V 3.8307 7.5547 122.3109 61.8260 30.9272 175.3797 53 R 4.2234 8.2418 124.5234 57.7513 30.3452 176.2636 54 Q 4.5013 7.2478 115.8177 55.3989 31.6464 172.1387 55 Y 4.7072 8.4741 120.1258 56.3587 40.3118 175.2654 56 A 4.6144 8.1844 124.2198 50.6470 22.2714 175.8450 57 A 4.1915 8.5649 125.2227 51.8072 19.1601 176.9173 58 L 4.6182 8.4106 123.1286 53.0023 43.4339 176.1575 59 L 4.5823 8.0743 122.9004 52.7622 44.1965 176.0733 60 S 4.3087 8.2755 115.7842 57.2049 62.8226 173.0871 61 P 4.1388 0.0000 0.0000 65.7982 31.0458 178.4946 62 E 4.1231 8.1178 117.1778 59.2717 29.2662 179.2855 63 S 4.2492 7.8815 112.9696 60.4637 62.9396 175.9447 64 V 4.2729 6.8372 113.5371 60.6066 32.4413 175.3061 65 N 4.3195 8.0100 115.1624 54.6717 37.9469 174.4434 66 L 5.0298 8.0822 118.6104 52.9604 40.0581 176.8748 67 G 3.6531 8.0856 109.3262 47.0108 0.0000 170.8110 68 L 4.5686 8.4032 123.3802 53.5420 43.9459 174.8996 69 Q 4.4756 8.6811 128.2098 54.1664 31.0797 173.6819 70 A 4.9862 8.8620 128.8471 50.0939 22.2223 174.9881 71 F 4.8810 9.0035 121.1393 56.0519 41.1307 174.8479 72 I 4.7068 9.0193 125.9677 59.6246 39.5958 175.1095 73 R 5.0126 9.2596 127.2302 54.9744 31.6882 175.4034 74 V 4.7770 8.9774 125.2386 61.1851 34.2787 174.3666 75 S 5.1782 9.0333 124.2191 56.9508 64.6510 173.5672 76 I 4.3041 8.7796 125.8773 60.3988 38.8665 175.1827 77 R 4.1408 8.8195 128.5303 55.8119 30.9150 176.9611 78 K 4.2326 8.6909 127.0899 55.4277 31.0929 175.3346 79 A 4.6358 7.8598 126.0875 49.6097 22.3178 175.5551 80 K 3.9407 8.6568 120.6656 58.3685 32.5457 176.1720 81 D 4.4823 9.1154 123.4280 55.4556 38.8647 175.6119 82 A 4.0475 8.0733 123.4966 55.4018 18.2518 180.8602 83 R 3.9846 7.9888 116.0837 59.3551 30.2796 178.6563 84 E 3.9271 8.2056 118.5247 59.6295 29.8233 178.4868 85 D 4.3972 8.1347 118.8142 57.1751 40.7366 178.7136 86 F 3.8438 8.2477 121.0850 61.0299 39.4421 177.0300 87 A 3.5058 8.0137 120.2876 55.0281 17.8662 179.4506 88 A 3.7444 7.4866 118.0545 55.4174 18.7425 179.8135 89 S 3.7369 7.4253 113.3712 61.3189 62.7056 177.3213 90 V 2.5769 6.6235 121.8522 64.2794 30.7330 178.6732 91 R 3.8173 7.2157 117.7542 58.3305 29.9113 178.2281 92 K 4.4233 7.2247 116.4152 55.9615 32.8255 176.8322 93 W 4.8527 7.3578 120.3411 54.9958 28.4420 175.4165 94 P 4.3734 0.0000 0.0000 64.8807 31.3153 178.2125 95 E 3.6615 8.0060 116.1295 58.1443 29.7276 176.4095 96 V 4.3782 7.3568 119.5892 61.7805 31.4236 175.2792 97 L 4.4230 8.5959 129.1259 57.1683 42.2806 177.8612 98 S 4.5825 7.7991 111.3288 56.8749 66.8211 172.9529 99 C 5.1203 7.8501 121.1850 58.1615 34.4243 172.8704 100 F 5.1458 9.3646 124.3953 55.4353 42.4330 174.2083 101 A 4.8402 8.9051 125.0203 51.3492 18.8236 176.6629 102 L 4.9001 8.3222 121.9153 52.9855 44.7818 176.8477 103 T 4.1481 8.6105 109.4171 63.1315 69.9663 175.8190 104 G 4.0929 7.5706 114.2251 44.9802 0.0000 173.6818 105 E 4.0217 8.7587 117.3525 59.3061 30.0987 177.7288 106 T 4.0404 7.7310 116.5551 63.3145 69.1666 173.7254 107 D 4.4042 8.9630 127.0508 57.0595 42.0016 175.9927 108 Y 5.3336 8.2796 115.4917 56.0302 42.0662 174.0773 109 L 5.2645 9.4527 126.4143 53.5033 44.4578 174.9009 110 L 5.3771 9.3942 126.4986 53.0335 45.1710 175.1266 111 Q 4.7401 9.0619 123.3832 54.2270 31.7360 174.1019 112 A 5.1659 8.8131 127.1008 50.3929 23.3068 174.4179 113 F 5.1550 8.3143 117.7208 55.7893 42.0014 174.9337 114 F 4.9742 9.5458 120.5729 56.0991 43.4111 176.0760 115 T 4.6609 9.2182 110.6098 64.3263 70.8198 174.2719 116 D 4.4052 8.2470 124.4510 53.3933 45.8152 176.5362 *118 N 4.6096 9.4769 115.2131 53.0604 41.1176 176.3323 119 A 4.1243 8.2030 119.4108 54.9408 18.2815 179.4120 120 F 2.8933 8.1654 119.2686 61.1365 39.3563 177.1921 121 S 3.9090 8.0765 112.1700 61.7113 62.1489 175.7036 122 H 3.9987 8.2224 118.7231 58.7499 28.4541 177.3097 123 F 4.0458 8.1202 122.3230 61.3307 39.1276 177.0018 124 V 2.9068 7.4002 117.7244 66.0111 31.0377 178.1210 125 L 3.8177 7.6160 117.2999 57.5797 41.5693 178.6342 126 D 4.5299 7.8940 117.0409 55.7428 40.4580 177.5364 127 T 4.1879 7.6537 114.6262 64.9800 70.0396 176.4401 128 L 3.4903 6.3499 121.0579 58.2794 42.0874 179.1092 129 L 4.0667 7.7107 117.8796 57.2100 41.7987 178.7844 130 S 4.2266 7.2165 109.3529 60.2756 63.4600 174.1533 131 H 4.3219 8.1281 122.9432 55.9601 29.9580 175.6610 132 H 4.1978 8.9077 122.8057 58.5734 28.6271 176.5219 133 G 3.7848 8.1948 106.4009 47.6607 0.0000 173.2576 134 V 4.2742 7.6997 121.5536 61.7923 31.7305 175.5248 135 Q 4.1965 8.8514 130.4083 58.8758 29.7001 175.0098 136 D 4.7032 7.6958 115.3284 53.6492 44.7383 173.7222 137 A 5.3936 8.3833 122.5851 50.6537 22.5776 175.5024 138 Q 4.7127 9.1319 117.4432 55.0130 32.3874 173.8691 139 S 5.1193 8.6657 116.2756 57.0177 66.9802 173.2189 140 S 4.6901 8.5729 117.7912 56.7182 66.8674 172.9731 141 F 5.3041 8.3632 118.4027 55.5603 42.9485 174.9211 142 V 3.8246 8.5586 122.4358 63.0755 31.0883 176.1725 143 L 4.2578 8.7727 128.5445 57.1416 42.1756 177.3950 144 K 4.3044 7.5430 115.5885 55.3536 34.9051 173.6714 145 E 4.4182 8.8443 127.3646 55.4036 30.3006 175.6112 146 I 4.1290 8.4548 127.2547 63.1752 38.0561 176.2190 147 K 4.5327 7.6254 118.1483 55.5368 34.8634 175.1331 148 H 4.6101 8.4654 125.0133 55.9342 30.4366 172.1474 149 T 4.6262 8.1244 120.3249 60.2683 70.2591 173.6816 150 T 4.3279 8.1971 114.0794 61.7819 69.8111 174.9975 151 S 4.4579 7.9158 120.1085 58.2216 63.1531 174.1598 152 L 4.3038 8.9025 126.7561 53.5002 42.2053 175.0793 153 P 4.5330 0.0000 0.0000 62.7380 32.2845 176.0732 154 L 4.6665 8.2657 118.6967 54.3132 43.5686 178.0669 155 N 4.4238 8.1529 117.9343 56.2363 38.7148 176.8681 156 H 4.2942 8.1638 112.7243 58.1286 28.6530 176.2721 157 L 4.3560 7.3605 118.0158 55.3409 41.8434 176.8752 158 L 4.2009 7.6205 123.6771 54.8781 41.5931 176.4603 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 P 0.00 4.39 0.00 2.20 2.16 0.00 3.59 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 2.02 2.08 0.00 3 Q 8.17 3.76 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 4 L 8.78 4.03 0.00 1.68 1.71 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.02 3.99 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 6 L 8.30 4.53 0.00 1.66 1.58 0.91 1.27 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 7 D 8.20 4.89 0.00 2.90 2.81 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 0.00 0.00 0.00 8 K 8.51 3.91 0.00 1.84 1.85 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.50 7.81 9 T 7.99 4.11 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 D 8.46 4.38 0.00 2.89 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 11 I 7.80 3.65 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.92 0.89 0.00 0.00 12 K 7.86 3.82 0.00 2.00 2.02 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 13 I 7.76 3.72 2.03 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 1.53 0.90 0.94 0.00 0.00 14 L 7.87 4.04 0.00 1.87 1.70 0.95 0.69 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 15 Q 8.36 4.00 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 16 V 7.93 3.61 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 1.14 0.00 0.00 1.00 0.00 0.00 17 L 8.08 4.24 0.00 1.79 1.82 1.04 0.92 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 18 Q 8.02 4.11 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 19 E 7.75 4.40 0.00 1.97 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 2.33 2.49 0.00 20 N 8.40 4.97 0.00 2.70 2.70 0.00 0.00 6.87 9.25 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 21 G 8.38 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.19 4.54 0.00 1.68 1.88 0.00 3.25 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 23 L 8.08 4.83 0.00 1.68 1.58 0.94 1.08 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 24 T 8.38 4.11 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 1.18 0.00 0.00 25 N 8.50 4.26 0.00 2.84 2.84 0.00 0.00 6.89 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 26 V 7.65 3.78 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 1.14 0.00 0.00 0.92 0.00 0.00 27 E 7.94 3.90 0.00 2.19 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 2.32 2.31 0.00 28 L 8.08 3.96 0.00 1.81 1.92 0.95 1.13 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 29 S 8.62 4.13 0.00 4.23 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 0.00 30 E 7.82 4.06 0.00 2.12 2.20 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 2.32 2.39 0.00 31 R 7.64 4.34 0.00 1.77 1.96 0.00 3.17 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 32 V 7.38 4.13 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 0.82 0.00 0.00 1.03 0.00 0.00 33 A 7.94 3.79 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 34 L 7.80 4.90 0.00 1.61 1.54 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.22 4.49 0.00 3.86 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 36 P 0.00 4.25 0.00 2.15 2.11 0.00 3.60 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 2.11 2.15 0.00 37 S 8.01 4.05 0.00 3.88 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 38 P 0.00 4.22 0.00 2.30 2.29 0.00 3.78 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 2.24 2.02 0.00 39 C 8.11 3.95 0.00 3.09 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 40 L 8.42 4.04 0.00 1.94 1.81 0.99 0.85 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 41 R 8.01 3.89 0.00 1.94 2.09 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 R 8.36 4.17 0.00 2.01 2.13 0.00 3.20 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 43 L 8.02 3.97 0.00 1.88 1.84 1.02 0.40 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 44 K 8.10 3.88 0.00 2.14 1.94 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.68 7.81 45 Q 8.08 4.01 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 46 L 7.80 4.08 0.00 1.94 1.72 0.93 0.76 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 47 E 8.41 4.00 0.00 2.19 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 2.44 2.43 0.00 48 D 8.32 4.40 0.00 2.63 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 49 A 8.26 4.19 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 50 G 7.65 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 0.00 0.00 0.00 51 I 7.72 3.68 2.01 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 1.18 0.57 0.89 0.00 0.00 52 V 7.55 3.83 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 0.28 0.00 0.00 0.86 0.00 0.00 53 R 8.24 4.22 0.00 1.93 2.01 0.00 3.11 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 54 Q 7.25 4.50 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 55 Y 8.47 4.71 0.00 2.98 2.84 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 56 A 8.18 4.61 1.21 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 0.00 0.00 57 A 8.56 4.19 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 58 L 8.41 4.62 0.00 1.64 1.60 0.92 1.00 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 59 L 8.07 4.58 0.00 1.52 1.50 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.28 4.31 0.00 3.84 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 61 P 0.00 4.14 0.00 2.23 1.70 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.69 0.00 62 E 8.12 4.12 0.00 2.06 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 2.43 2.47 0.00 63 S 7.88 4.25 0.00 4.02 3.99 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 64 V 6.84 4.27 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 0.95 0.00 0.00 65 N 8.01 4.32 0.00 2.99 2.89 0.00 0.00 7.17 6.09 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 66 L 8.08 5.03 0.00 1.75 1.81 0.73 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.09 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 68 L 8.40 4.57 0.00 1.92 1.81 0.75 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.68 4.48 0.00 1.63 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 1.85 1.18 0.00 70 A 8.86 4.99 1.11 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 0.00 0.00 71 F 9.00 4.88 0.00 2.85 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 72 I 9.02 4.71 2.09 0.00 0.00 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 1.51 0.80 1.08 0.00 0.00 73 R 9.26 5.01 0.00 1.87 1.92 0.00 3.10 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 74 V 8.98 4.78 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 0.70 0.00 0.00 1.12 0.00 0.00 75 S 9.03 5.18 0.00 3.74 3.74 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 76 I 8.78 4.30 2.07 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.99 0.00 0.00 77 R 8.82 4.14 0.00 1.81 1.99 0.00 3.55 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 78 K 8.69 4.23 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.50 7.81 79 A 7.86 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 80 K 8.66 3.94 0.00 1.72 1.78 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.57 7.81 81 D 9.12 4.48 0.00 3.02 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 82 A 8.07 4.05 1.45 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 83 R 7.99 3.98 0.00 1.98 2.20 0.00 3.22 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 84 E 8.21 3.93 0.00 2.06 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 2.38 2.41 0.00 85 D 8.13 4.40 0.00 2.91 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 86 F 8.25 3.84 0.00 2.98 3.01 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 87 A 8.01 3.51 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.49 3.74 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 89 S 7.43 3.74 0.00 3.04 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 90 V 6.62 2.58 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 0.00 0.00 0.36 0.00 0.00 0.84 0.00 0.00 91 R 7.22 3.82 0.00 1.77 1.89 0.00 3.05 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 92 K 7.22 4.42 0.00 1.67 1.82 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.47 7.81 93 W 7.36 4.85 0.00 3.42 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 94 P 0.00 4.37 0.00 2.00 2.10 0.00 3.74 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 95 E 8.01 3.66 0.00 1.17 1.65 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 1.67 1.47 0.00 96 V 7.36 4.38 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 0.88 0.00 0.00 1.18 0.00 0.00 97 L 8.60 4.42 0.00 1.74 1.74 1.01 0.79 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 98 S 7.80 4.58 0.00 3.57 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 99 C 7.85 5.12 0.00 2.88 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 9.36 5.15 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.91 4.84 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 0.00 102 L 8.32 4.90 0.00 1.68 1.57 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.61 4.15 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 1.19 0.00 0.00 104 G 7.57 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 0.00 105 E 8.76 4.02 0.00 2.08 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 2.27 2.33 0.00 106 T 7.73 4.04 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 1.33 0.00 0.00 107 D 8.96 4.40 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.28 5.33 0.00 2.99 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 0.00 109 L 9.45 5.26 0.00 1.88 1.78 1.13 0.60 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 0.00 110 L 9.39 5.38 0.00 1.93 1.69 1.27 1.06 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 0.00 111 Q 9.06 4.74 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 112 A 8.81 5.17 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 0.00 113 F 8.31 5.16 0.00 2.71 2.76 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 0.00 114 F 9.55 4.97 0.00 2.99 3.01 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 0.00 115 T 9.22 4.66 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 116 D 8.25 4.41 0.00 2.88 2.32 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 *118 N 9.48 4.61 0.00 3.03 3.01 0.00 0.00 6.71 7.33 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 0.00 119 A 8.20 4.12 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.17 2.89 0.00 2.77 2.91 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 0.00 121 S 8.08 3.91 0.00 3.93 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 0.00 122 H 8.22 4.00 0.00 3.44 3.35 0.00 5.88 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 0.00 123 F 8.12 4.05 0.00 3.21 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 0.00 124 V 7.40 2.91 1.62 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 0.86 0.00 0.00 -0.02 0.00 0.00 125 L 7.62 3.82 0.00 1.57 1.60 0.84 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.89 4.53 0.00 2.66 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 0.00 127 T 7.65 4.19 3.45 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 0.35 0.00 0.00 128 L 6.35 3.49 0.00 0.68 1.30 1.16 0.59 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 0.00 129 L 7.71 4.07 0.00 1.61 1.65 0.84 1.19 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 0.00 130 S 7.22 4.23 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.13 4.32 0.00 3.65 3.44 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.91 4.20 0.00 3.32 3.44 0.00 5.58 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.19 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.70 4.27 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 0.71 0.00 0.00 0.88 0.00 0.00 135 Q 8.85 4.20 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.45 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 136 D 7.70 4.70 0.00 2.71 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 5.39 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 0.00 138 Q 9.13 4.71 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 139 S 8.67 5.12 0.00 3.65 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 0.00 140 S 8.57 4.69 0.00 3.65 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 0.00 141 F 8.36 5.30 0.00 2.81 2.81 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 0.00 0.00 0.00 142 V 8.56 3.82 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 0.85 0.00 0.00 1.16 0.00 0.00 143 L 8.77 4.26 0.00 1.70 1.73 0.94 0.90 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 0.00 144 K 7.54 4.30 0.00 1.68 1.64 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.40 7.81 145 E 8.84 4.42 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 146 I 8.45 4.13 1.89 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 1.31 0.96 0.92 0.00 0.00 147 K 7.63 4.53 0.00 1.68 1.65 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.45 7.81 148 H 8.47 4.61 0.00 3.17 3.38 0.00 5.72 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.12 4.63 4.23 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 1.21 0.00 0.00 150 T 8.20 4.33 4.23 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 1.19 0.00 0.00 151 S 7.92 4.46 0.00 3.89 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 0.00 152 L 8.90 4.30 0.00 1.61 1.61 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.53 0.00 2.21 2.06 0.00 3.72 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 2.01 1.99 0.00 154 L 8.27 4.67 0.00 1.65 1.61 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.15 4.42 0.00 2.77 2.87 0.00 0.00 6.83 8.16 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 0.00 156 H 8.16 4.29 0.00 3.26 3.43 0.00 5.52 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 0.00 157 L 7.36 4.36 0.00 1.69 1.70 0.85 0.98 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 0.00 158 L 7.62 4.20 0.00 1.76 1.56 0.91 0.78 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 * Residues marked with a * may have inaccurate shift predictions.