NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.4057 8.1927 115.2902 57.9580 63.5725 173.9737 13 D 4.1473 8.7567 127.9896 57.0775 41.2393 176.3335 14 L 4.3835 8.0609 118.5842 56.6916 42.3195 178.8477 15 G 3.5950 8.0152 105.8732 47.6864 0.0000 175.5782 16 K 4.0413 7.8015 121.1964 59.0329 32.1334 179.1321 17 K 4.0549 7.6493 117.7855 58.9472 31.9615 179.0979 18 L 3.9332 7.9089 120.7988 58.1133 42.1371 178.9382 19 L 4.0214 7.9501 118.9291 58.0113 41.5754 179.4677 20 E 4.0243 8.0358 117.9665 59.1063 29.3710 179.2456 21 A 3.9720 8.2855 120.8736 54.9238 18.1446 179.4174 22 A 3.9094 8.3946 119.7956 55.4527 18.2430 179.9092 23 R 3.8618 7.7328 115.4239 59.3935 30.2983 178.0940 24 A 4.2708 8.0571 118.6679 52.3472 18.7569 177.3529 25 G 3.3658 7.5482 104.7426 47.2001 0.0000 175.5804 26 Q 4.3615 7.8712 121.1397 54.1425 27.6077 175.2388 27 D 4.3452 8.1585 125.5905 55.8440 39.9703 178.1175 28 D 4.2828 8.0259 120.2483 56.5637 39.3228 178.2204 29 E 3.9275 8.0887 120.8905 58.4825 29.7009 178.6638 30 V 3.5625 7.9787 118.5407 66.0322 31.6486 178.0569 31 R 3.9233 8.0044 118.4587 59.2727 29.8102 178.6891 32 I 3.7116 7.5988 119.5112 64.3088 37.2143 178.3132 33 L 3.9740 8.2205 120.1997 58.2387 40.9882 179.6274 34 M 4.1042 8.1757 118.2622 58.2230 31.5862 178.7178 35 A 4.0892 7.6893 120.3286 55.0612 18.6134 179.1315 36 N 4.5416 8.1112 114.4732 54.7545 38.6013 175.8434 37 G 4.0786 7.2417 107.7058 45.2577 0.0000 173.8810 38 A 4.0486 7.8594 122.8696 51.3985 19.1887 177.9366 39 D 4.4459 8.5980 121.9072 53.9828 41.6212 177.6868 40 V 3.7290 8.5038 126.8621 64.0650 31.7156 176.3294 41 N 4.8920 8.0178 117.1873 52.4045 39.1352 174.9373 42 A 4.1188 7.7388 120.8161 52.5179 19.1584 177.4185 43 E 5.0495 8.4549 120.3675 54.3475 32.4925 176.4585 44 D 4.7469 8.4687 122.4635 52.6887 41.2160 176.6924 45 T 4.1284 8.2511 107.5948 63.2797 69.2116 174.4267 46 Y 4.3953 8.0290 119.4417 57.7042 38.6251 176.8975 47 G 2.9852 7.5743 109.1664 44.4437 0.0000 172.8940 48 D 4.3203 8.1962 121.1620 53.6526 41.7046 176.7063 49 T 5.5527 8.2884 115.9129 59.5551 71.7418 173.9968 50 P 4.2502 0.0000 0.0000 65.5064 31.2205 178.7183 51 L 3.8678 7.8272 118.6869 58.3845 42.1009 178.2597 52 H 4.1051 7.8085 116.2843 59.1919 28.7030 177.7108 53 L 3.9821 7.9805 120.1244 57.7824 41.4988 179.5021 54 A 3.9973 8.2825 120.7037 55.0593 18.0727 179.5886 55 A 3.9478 7.9281 118.5630 54.9461 18.4480 179.6904 56 R 4.0179 7.8467 116.9871 59.5916 30.3855 178.8171 57 V 3.8460 7.5327 117.3494 62.8185 31.5849 176.9487 58 G 3.5540 7.8558 107.4699 45.8649 0.0000 174.6277 59 H 4.6207 7.7813 118.8738 53.8444 27.5998 175.0206 60 L 3.9242 8.1329 127.5727 57.9333 42.3245 178.0517 61 E 3.9701 8.1226 117.0592 59.3489 29.4207 179.1989 62 I 3.6564 7.6398 120.2837 64.0678 37.3161 177.9223 63 V 3.4993 7.7837 119.2302 66.3362 31.2029 177.9239 64 E 3.8201 8.2126 118.0886 59.4000 29.4156 179.8317 65 V 3.6657 7.6828 118.9362 64.5347 31.5585 178.4461 66 L 3.9339 8.1527 119.9588 57.7112 41.3500 179.5101 67 L 3.8764 7.8677 118.7708 57.5453 41.1580 179.5699 68 K 4.2407 7.8039 117.3277 58.2485 32.0264 177.9157 69 N 4.9403 7.6323 115.3279 52.7444 39.0362 175.5169 70 G 3.8511 7.7135 107.0940 45.7192 0.0000 174.3044 71 A 4.0150 7.6865 121.8855 52.0382 18.9479 178.0546 72 D 4.4938 9.2762 122.3291 53.6590 40.7659 177.5425 73 V 3.6809 8.4402 127.5865 63.9796 31.6053 176.7031 74 N 4.8841 8.0558 116.6818 52.5053 39.0668 174.6549 75 A 4.1124 7.6912 121.3230 52.4515 18.9853 177.4138 76 L 5.1122 8.3473 121.3612 52.9607 43.7402 176.7171 77 D 4.8639 8.3406 122.9427 51.2332 41.2059 177.0783 78 F 4.5970 8.1941 117.4596 60.2019 38.9814 176.7188 79 S 4.4189 8.4288 114.0762 58.0756 63.4718 175.3233 80 G 3.7311 8.5431 110.0935 46.1737 0.0000 173.1469 81 S 4.4568 8.2389 116.4724 57.3579 63.9320 174.1855 82 T 5.5386 8.2365 113.7169 59.0005 70.8549 173.6949 83 P 4.1995 0.0000 0.0000 65.8891 31.1081 178.5797 84 L 3.9129 7.4324 119.3202 58.3839 41.9639 178.5934 85 H 4.1025 7.9897 116.0997 59.0515 28.7089 177.7840 86 L 4.0118 7.8131 119.7873 57.7147 41.5771 179.1875 87 A 4.1412 8.1988 120.5823 54.9977 18.1572 179.5802 88 A 3.8616 8.1774 119.3732 55.2471 18.2985 179.7440 89 K 3.9208 7.8963 116.7869 59.3682 32.3421 178.2258 90 R 4.3465 7.7939 115.3087 55.4763 30.1865 176.9165 91 G 3.3827 7.2910 106.8568 46.9474 0.0000 175.3975 92 H 4.6845 7.8500 119.7833 53.6313 26.9367 175.1781 93 L 3.9162 7.9773 126.6116 58.1707 42.3822 178.0182 94 E 4.2300 8.0212 119.2362 58.7894 29.3549 179.3206 95 I 3.6564 7.6404 119.5390 64.2198 37.3155 178.1853 96 V 3.5202 7.8805 119.2089 66.2366 31.2413 177.8357 97 E 3.8775 8.3272 118.4475 59.3910 29.3111 179.8355 98 V 3.8352 7.7649 119.0535 64.6228 31.5694 178.4353 99 L 3.9474 8.2209 120.0736 57.5628 41.4997 179.5049 100 L 3.7964 7.7890 118.8199 57.5964 41.2006 179.4725 101 K 4.1013 7.8714 118.5310 59.3209 32.0930 177.2391 102 Y 4.4984 8.0756 115.2765 57.7351 38.2138 176.0609 103 G 3.8963 7.9938 106.8526 45.5196 0.0000 174.3203 104 A 4.1308 7.8497 122.0489 51.8577 18.8775 177.9927 105 D 4.5704 9.1909 122.0265 53.3982 40.9943 177.7948 106 V 3.6857 8.4870 127.3692 63.9355 31.6905 176.6469 107 N 4.9143 8.0895 116.7222 52.5494 39.2396 174.4780 108 A 4.1513 7.7332 122.6782 52.2881 18.9733 177.1522 109 D 5.4780 8.5221 121.4623 51.4202 41.9984 176.3083 110 D 5.1039 8.5806 122.5572 51.8029 41.9207 176.0300 111 T 3.7816 8.0100 113.0808 65.4462 67.3959 175.4666 112 I 4.0597 8.0088 112.1549 60.3748 37.6916 176.6756 113 G 3.8982 8.3061 108.8058 45.9682 0.0000 173.9205 114 S 4.1169 8.1471 117.1992 58.4249 63.6038 174.1944 115 T 5.5158 8.2837 116.4753 58.9661 72.1041 173.8520 116 P 4.2299 0.0000 0.0000 65.6815 31.1306 178.6017 117 L 3.9427 7.9189 118.5175 58.4431 41.9665 178.4154 118 H 4.1489 7.9945 115.9406 59.1598 28.5804 177.7922 119 L 4.0151 7.9396 119.8718 57.7440 41.4555 179.4957 120 A 4.0726 8.3712 120.7167 54.9130 18.2752 179.5404 121 A 3.9620 8.2656 119.5790 55.4038 18.2474 179.4106 122 D 4.3724 8.3559 115.9498 56.6813 41.3338 177.4629 123 T 4.4349 7.5059 108.0243 60.7852 69.1542 174.9724 124 G 3.7551 7.5559 108.6579 47.5004 0.0000 175.1813 125 H 4.6464 7.9136 119.4670 53.7059 27.5110 175.2980 126 L 3.9773 8.1049 127.0962 58.0932 42.3101 178.0419 127 E 3.9887 8.1756 117.9503 59.4418 29.3530 179.2973 128 I 3.6781 7.7047 119.3016 64.3274 37.2637 178.2323 129 V 3.6008 7.8358 119.0436 66.2179 31.3035 177.7258 130 E 3.9787 8.4851 118.4055 59.6482 29.3501 179.7125 131 V 3.7507 7.8393 118.0185 65.8376 31.6159 177.8775 132 L 4.0549 8.2854 119.1714 57.9819 41.4755 179.5463 133 L 4.0382 8.1603 118.7169 57.8380 41.3470 179.7075 134 K 3.9728 8.0292 117.2855 59.5093 32.0748 178.1100 135 Y 4.1977 7.9641 114.0381 58.0404 37.9126 176.0819 136 G 4.0499 8.0609 108.7623 45.1548 0.0000 173.9799 137 A 4.1633 7.8194 122.0490 52.1932 18.8287 177.8144 138 D 4.6544 9.0187 122.0042 53.0022 41.0181 177.7803 139 V 3.7744 8.3407 120.7526 63.5223 31.8127 176.9325 140 N 4.6156 8.2222 115.4714 52.9391 39.1041 175.2384 141 A 4.0394 7.7157 123.4448 52.6367 18.6707 176.4867 142 Q 4.8893 8.5325 122.2337 54.1917 30.8232 175.9745 143 D 4.8529 8.8531 121.4906 51.6513 40.9302 176.9484 144 K 3.8708 8.5620 117.9479 59.1715 32.4192 177.6265 145 F 4.6571 7.9970 116.7064 57.1990 39.1477 176.4323 146 G 4.0077 8.2297 109.3020 45.0993 0.0000 173.7566 147 K 4.5244 8.6656 120.5311 55.6915 33.2485 176.8998 148 T 5.2120 9.1487 115.6927 59.5926 71.8367 175.9254 149 A 3.9683 8.2830 122.6621 55.2635 18.3311 179.4404 150 F 4.1048 8.3118 118.5484 61.7839 39.3784 176.7835 151 D 4.1896 8.2094 118.2820 57.4579 40.6808 178.9220 152 I 3.6861 7.8812 120.3853 64.4495 37.0040 178.6554 153 S 4.0895 7.8390 115.0425 61.3373 62.8055 176.6790 154 I 3.5236 7.4054 123.3164 64.2590 36.6341 177.9140 155 D 4.3723 7.9857 118.6419 57.2970 40.7436 178.0319 156 N 4.6804 7.9455 113.9324 52.4970 38.9378 175.8456 157 G 3.7419 7.6032 108.2078 46.5315 0.0000 174.4595 158 N 4.5948 7.7790 119.5509 52.1482 38.4738 175.0303 159 E 4.0479 8.4536 127.5547 59.2010 29.8457 178.5922 160 D 4.3731 8.0564 118.7263 56.9946 41.1516 178.1748 161 L 4.1340 8.2146 119.3194 57.8076 41.5652 179.2637 162 A 4.2665 7.7520 121.6550 54.4858 18.0290 179.0578 163 E 3.9328 7.8207 116.7656 59.5941 29.8433 178.8641 164 I 4.0447 7.3922 110.4046 62.6137 38.1332 176.9707 165 L 4.2894 7.6058 121.6184 56.6152 41.8850 177.2156 *166 Q 4.1420 7.9263 122.2716 55.1394 28.8438 180.3524 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 12 S 8.19 4.41 0.00 3.87 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 13 D 8.76 4.15 0.00 2.86 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 14 L 8.06 4.38 0.00 1.73 1.69 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.02 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.80 4.04 0.00 1.91 1.95 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 17 K 7.65 4.05 0.00 1.91 1.83 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.60 7.81 18 L 7.91 3.93 0.00 1.85 1.85 0.91 0.69 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 19 L 7.95 4.02 0.00 1.92 1.71 0.95 0.98 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 20 E 8.04 4.02 0.00 2.11 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 2.33 2.33 0.00 21 A 8.29 3.97 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 22 A 8.39 3.91 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 23 R 7.73 3.86 0.00 1.94 2.11 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 24 A 8.06 4.27 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 25 G 7.55 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.87 4.36 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 27 D 8.16 4.35 0.00 2.84 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 28 D 8.03 4.28 0.00 2.91 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 29 E 8.09 3.93 0.00 2.09 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 2.37 2.42 0.00 30 V 7.98 3.56 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 0.92 0.00 0.00 0.96 0.00 0.00 31 R 8.00 3.92 0.00 2.09 2.04 0.00 3.14 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 32 I 7.60 3.71 1.99 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 1.70 0.68 0.91 0.00 0.00 33 L 8.22 3.97 0.00 1.65 1.71 0.94 0.80 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 34 M 8.18 4.10 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 35 A 7.69 4.09 1.39 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 36 N 8.11 4.54 0.00 2.85 2.89 0.00 0.00 7.19 7.41 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 37 G 7.24 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.86 4.05 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 39 D 8.60 4.45 0.00 2.77 2.57 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 40 V 8.50 3.73 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 41 N 8.02 4.89 0.00 2.74 2.85 0.00 0.00 6.96 7.51 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 42 A 7.74 4.12 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 43 E 8.45 5.05 0.00 1.96 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 44 D 8.47 4.75 0.00 2.94 2.85 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 45 T 8.25 4.13 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 1.13 0.00 0.00 46 Y 8.03 4.40 0.00 3.27 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 47 G 7.57 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 0.00 0.00 0.00 48 D 8.20 4.32 0.00 3.03 2.53 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 49 T 8.29 5.55 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 1.24 0.00 0.00 50 P 0.00 4.25 0.00 2.16 2.13 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 51 L 7.83 3.87 0.00 1.69 1.58 0.82 1.02 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 52 H 7.81 4.11 0.00 3.39 3.36 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 53 L 7.98 3.98 0.00 1.82 1.71 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.28 4.00 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 55 A 7.93 3.95 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 56 R 7.85 4.02 0.00 1.91 2.12 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 57 V 7.53 3.85 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 0.71 0.00 0.00 0.86 0.00 0.00 58 G 7.86 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.78 4.62 0.00 3.17 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.13 3.92 0.00 1.72 1.64 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.12 3.97 0.00 2.18 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 2.33 2.32 0.00 62 I 7.64 3.66 2.00 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 1.48 0.92 0.89 0.00 0.00 63 V 7.78 3.50 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 0.91 0.00 0.00 0.93 0.00 0.00 64 E 8.21 3.82 0.00 2.16 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 0.00 2.29 2.42 0.00 65 V 7.68 3.67 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 0.81 0.00 0.00 0.92 0.00 0.00 66 L 8.15 3.93 0.00 1.77 1.70 0.87 0.71 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 67 L 7.87 3.88 0.00 1.30 0.68 0.28 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.80 4.24 0.00 1.97 1.90 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.61 7.81 69 N 7.63 4.94 0.00 2.91 2.81 0.00 0.00 7.06 7.47 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 70 G 7.71 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 0.00 0.00 0.00 71 A 7.69 4.01 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 72 D 9.28 4.49 0.00 2.68 2.58 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 73 V 8.44 3.68 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 0.84 0.00 0.00 0.99 0.00 0.00 74 N 8.06 4.88 0.00 2.74 2.85 0.00 0.00 6.95 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 75 A 7.69 4.11 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 76 L 8.35 5.11 0.00 1.68 1.65 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.34 4.86 0.00 2.90 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.19 4.60 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 79 S 8.43 4.42 0.00 4.02 4.14 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 80 G 8.54 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 0.00 0.00 0.00 81 S 8.24 4.46 0.00 4.19 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 82 T 8.24 5.54 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 1.28 0.00 0.00 83 P 0.00 4.20 0.00 2.10 2.07 0.00 3.66 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 1.96 1.79 0.00 84 L 7.43 3.91 0.00 1.90 1.61 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.99 4.10 0.00 3.47 3.36 0.00 5.86 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 86 L 7.81 4.01 0.00 1.84 1.72 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.20 4.14 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 88 A 8.18 3.86 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 89 K 7.90 3.92 0.00 1.91 2.01 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 90 R 7.79 4.35 0.00 1.57 1.75 0.00 3.42 0.00 0.00 3.41 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 91 G 7.29 3.38 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 0.00 92 H 7.85 4.68 0.00 3.17 3.19 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.98 3.92 0.00 1.74 1.66 0.92 0.96 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 94 E 8.02 4.23 0.00 2.08 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 2.40 2.32 0.00 95 I 7.64 3.66 2.01 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 1.47 0.64 0.87 0.00 0.00 96 V 7.88 3.52 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 0.96 0.00 0.00 0.95 0.00 0.00 97 E 8.33 3.88 0.00 2.21 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 2.34 2.43 0.00 98 V 7.76 3.84 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 0.87 0.00 0.00 0.96 0.00 0.00 99 L 8.22 3.95 0.00 1.76 1.70 0.87 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.79 3.80 0.00 1.23 0.46 0.51 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.87 4.10 0.00 1.83 2.12 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.47 7.81 102 Y 8.08 4.50 0.00 2.92 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 0.00 103 G 7.99 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.85 4.13 1.24 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 0.00 0.00 0.00 105 D 9.19 4.57 0.00 2.70 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 0.00 106 V 8.49 3.69 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 0.83 0.00 0.00 1.05 0.00 0.00 107 N 8.09 4.91 0.00 2.75 2.85 0.00 0.00 6.95 7.47 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 0.00 108 A 7.73 4.15 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 0.00 109 D 8.52 5.48 0.00 2.77 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 0.00 110 D 8.58 5.10 0.00 3.02 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.01 3.78 4.34 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 1.28 0.00 0.00 112 I 8.01 4.06 1.81 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.96 0.00 0.00 113 G 8.31 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 0.00 114 S 8.15 4.12 0.00 4.25 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.28 5.52 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 1.29 0.00 0.00 116 P 0.00 4.23 0.00 2.14 2.09 0.00 3.70 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 1.86 0.00 117 L 7.92 3.94 0.00 1.76 1.64 0.94 1.06 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 0.00 118 H 7.99 4.15 0.00 3.41 3.39 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 0.00 119 L 7.94 4.02 0.00 1.90 1.75 1.06 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.37 4.07 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 0.00 121 A 8.27 3.96 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 0.00 122 D 8.36 4.37 0.00 2.86 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 0.00 123 T 7.51 4.43 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 1.28 0.00 0.00 124 G 7.56 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 7.91 4.65 0.00 3.27 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.10 3.98 0.00 1.76 1.68 0.94 0.96 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 0.00 127 E 8.18 3.99 0.00 2.07 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 2.42 2.42 0.00 128 I 7.70 3.68 2.02 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.91 0.00 0.00 129 V 7.84 3.60 2.28 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 1.06 0.00 0.00 1.03 0.00 0.00 130 E 8.49 3.98 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 131 V 7.84 3.75 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 1.12 0.00 0.00 1.01 0.00 0.00 132 L 8.29 4.05 0.00 1.91 1.74 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.16 4.04 0.00 1.91 1.74 0.95 0.83 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 0.00 134 K 8.03 3.97 0.00 1.98 1.79 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 135 Y 7.96 4.20 0.00 2.96 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 0.00 136 G 8.06 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 0.00 0.00 0.00 137 A 7.82 4.16 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 0.00 138 D 9.02 4.65 0.00 2.78 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 0.00 139 V 8.34 3.77 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 0.77 0.00 0.00 0.91 0.00 0.00 140 N 8.22 4.62 0.00 2.87 2.86 0.00 0.00 6.92 6.75 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 0.00 141 A 7.72 4.04 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 0.00 142 Q 8.53 4.89 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 143 D 8.85 4.85 0.00 2.99 2.63 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 0.00 144 K 8.56 3.87 0.00 1.52 1.78 0.00 1.29 0.00 0.00 1.29 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.21 7.81 145 F 8.00 4.66 0.00 3.22 3.10 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 0.00 0.00 0.00 146 G 8.23 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 0.00 147 K 8.67 4.52 0.00 2.19 1.82 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.60 7.81 148 T 9.15 5.21 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 1.34 0.00 0.00 149 A 8.28 3.97 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 0.00 150 F 8.31 4.10 0.00 3.29 3.12 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 0.00 0.00 0.00 151 D 8.21 4.19 0.00 2.95 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 0.00 152 I 7.88 3.69 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.22 0.98 0.00 0.00 153 S 7.84 4.09 0.00 4.01 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.41 3.52 1.71 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.03 0.78 0.00 0.00 155 D 7.99 4.37 0.00 2.74 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 0.00 156 N 7.95 4.68 0.00 2.68 2.82 0.00 0.00 7.03 7.51 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 0.00 157 G 7.60 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 0.00 0.00 0.00 158 N 7.78 4.59 0.00 2.78 2.71 0.00 0.00 6.99 7.27 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 0.00 159 E 8.45 4.05 0.00 2.21 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 2.37 2.34 0.00 160 D 8.06 4.37 0.00 2.67 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 0.00 161 L 8.21 4.13 0.00 1.89 1.72 0.94 0.89 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 0.00 162 A 7.75 4.27 1.39 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 0.00 163 E 7.82 3.93 0.00 1.98 2.30 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 2.35 2.36 0.00 164 I 7.39 4.04 1.89 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 1.55 0.88 0.93 0.00 0.00 165 L 7.61 4.29 0.00 1.82 1.94 0.98 1.34 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 *166 Q 7.93 4.14 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.