NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3425 8.3033 121.7325 56.0972 31.4362 173.9630 3 I 4.8598 8.3121 127.3037 57.9800 39.0793 173.3870 4 R 4.7022 8.9375 122.4569 54.5781 34.0149 173.8497 5 V 4.2302 8.2918 119.7345 62.2999 32.1882 175.1500 6 F 3.8983 8.8221 130.0318 58.7591 39.7493 174.8217 7 R 4.3873 7.5971 120.6941 54.0606 32.6027 176.3814 8 Q 3.7732 8.3419 122.0019 59.2663 29.4321 179.2405 9 E 3.9745 7.8518 115.9161 58.6915 29.8385 177.4070 10 D 4.4144 8.0772 117.9993 55.1096 41.1023 177.5046 11 F 4.1098 7.9888 122.5387 61.9263 39.3167 176.9314 12 E 4.0924 8.3005 116.2760 59.4787 29.6765 178.5466 13 E 4.0415 8.0468 118.6212 58.3044 29.6000 179.1652 14 V 3.2443 7.6538 118.7506 65.6380 31.6476 177.9465 15 I 3.3467 6.9059 119.1317 64.7000 37.0489 178.1865 16 T 3.8191 7.7939 116.2749 66.7869 67.8126 175.9877 17 L 4.0132 7.7913 121.4239 58.5453 41.8961 179.3566 18 W 4.5733 8.4405 118.7117 59.5195 28.8675 178.2557 19 E 3.9993 8.3157 119.1188 59.3166 28.9001 179.0114 20 R 4.0132 7.8946 116.6211 58.5559 30.1642 177.6536 21 C 4.5804 7.4704 112.9031 58.4351 28.9095 173.1597 22 D 4.4731 7.7726 119.0099 55.3672 39.5289 174.3192 23 L 4.1896 8.1220 117.2011 54.7752 42.1899 176.9739 24 L 4.2771 7.7298 119.5955 53.8785 42.3393 176.0828 25 R 4.0492 7.8561 122.4532 53.3246 32.0265 175.5056 26 P 4.1807 0.0000 0.0000 64.3156 31.4998 177.3305 27 W 4.4419 7.0603 113.8630 57.2492 28.6974 175.8078 28 N 4.8007 7.5829 117.4004 51.0855 38.1359 173.7247 29 D 4.4158 9.4392 124.4370 53.4669 41.2300 174.1010 30 P 4.5743 0.0000 0.0000 66.2365 31.3329 179.0709 31 E 4.1574 8.0875 114.4436 57.1367 29.1376 178.3792 *33 D 4.6067 8.1781 121.2627 54.5685 42.8325 178.0953 34 I 3.6670 8.0787 119.1924 64.2512 37.1979 177.9902 35 E 4.3109 8.6234 119.7476 59.2742 29.4794 179.3556 36 R 4.1732 7.9491 117.7997 58.9956 30.2169 179.9405 37 K 3.9638 7.6897 116.8808 56.9960 31.8685 177.7948 *39 N 4.7656 8.1479 117.7496 53.2657 40.5924 174.9244 40 H 4.2905 8.1065 117.3204 56.3199 30.1979 174.7427 41 D 4.7902 7.9552 123.0415 54.2784 44.5281 176.5028 42 V 4.2706 7.9151 120.2822 61.7838 32.1427 178.4587 43 S 4.2062 8.6262 115.8492 60.8302 62.7809 175.1746 44 L 4.4361 7.9674 117.9007 54.3974 42.0794 175.7967 45 F 5.1277 8.4077 123.5827 57.5439 39.8638 174.3555 46 L 5.3201 9.6936 126.9283 53.1674 44.8638 176.2440 47 V 5.1002 8.9462 113.8287 59.5917 36.4686 174.3377 48 A 5.1196 8.9975 124.6618 50.2107 21.6263 174.7964 49 E 4.9743 9.5293 124.4592 54.4454 32.4514 175.0206 50 V 4.1439 8.4141 126.4137 62.2220 33.8369 175.2933 51 N 4.5002 9.5498 122.8703 54.1156 35.6488 174.4379 52 G 4.0553 8.5246 108.5582 44.5414 0.0000 174.3798 53 E 4.2490 7.9622 117.2994 55.0005 30.9809 175.5916 54 V 4.2748 8.0166 120.4587 62.4205 31.9367 175.9122 55 V 4.0175 8.5010 120.9587 61.7261 33.4604 175.7473 56 G 5.0196 7.6119 106.1541 45.5009 0.0000 172.1584 57 T 5.5614 8.4535 109.5865 60.4156 72.8197 172.8797 58 V 4.3859 9.0442 122.7558 61.0024 35.0525 173.8526 *60 G 3.9852 8.7607 107.2915 46.9304 0.0000 171.6644 61 G 4.3706 8.4528 105.6390 46.2500 0.0000 171.7434 62 Y 5.6131 8.2496 119.7399 56.2936 42.1490 174.4010 63 D 4.6814 8.6036 124.5775 52.9524 39.7037 177.2730 64 G 3.6079 7.0994 107.7321 45.8686 0.0000 173.5877 65 H 4.8768 7.7571 115.3048 57.0728 33.7629 173.2058 66 R 4.9929 9.2779 117.4489 54.2956 34.4001 175.2877 67 G 4.4369 9.1786 110.1739 45.9257 0.0000 172.5186 68 S 5.2571 9.3851 114.8751 55.3420 67.3693 172.9403 69 A 4.5584 7.4957 121.1198 51.1781 20.9295 175.2995 70 Y 4.6663 8.1007 119.1831 56.8376 41.7389 174.6010 71 Y 3.3876 8.0247 115.0929 58.8916 35.3631 170.9827 72 L 4.8617 6.8596 122.5788 54.4268 42.6542 176.2272 73 G 4.4438 8.6288 110.7376 44.5889 0.0000 170.7613 74 V 4.9696 8.2511 121.0334 60.6338 34.4405 174.5645 75 H 4.1242 9.6814 127.9817 56.5320 30.1092 174.3248 76 P 4.3303 0.0000 0.0000 64.9770 31.3903 176.8935 77 E 4.1241 8.4690 117.3407 57.4661 29.5708 176.4920 78 F 4.7864 8.5792 115.4591 57.3490 40.6738 175.1381 79 R 4.2660 7.9272 119.9241 57.3856 30.3226 177.1341 80 G 3.9738 8.8130 107.2255 45.8666 0.0000 174.3901 81 R 4.2922 7.4426 117.5908 55.8925 30.7483 176.9837 82 G 3.9185 8.2064 106.4808 46.5381 0.0000 175.9414 83 I 3.7334 7.9196 122.6801 63.7528 37.0401 177.7973 84 A 3.9714 7.9519 121.1716 55.2871 18.2754 179.0064 85 N 4.2013 8.2285 114.2067 56.6703 38.6514 177.2700 86 A 4.0239 8.2967 122.0998 55.0337 18.4492 179.6563 87 L 3.9553 8.6153 117.7988 58.1125 41.6988 179.8566 88 L 4.1138 8.2578 119.1590 57.8820 41.5311 179.3785 89 N 4.4262 8.4562 116.6315 56.0861 38.4039 177.4695 90 R 3.8876 8.0259 120.2647 59.2462 30.1584 178.2809 91 L 3.9690 8.0730 120.0546 58.3185 42.1016 178.7750 92 E 3.9625 8.5689 118.8218 59.4379 29.4213 179.4853 93 K 3.9805 8.2422 118.4874 59.5222 31.9733 179.5785 94 K 4.1466 8.3694 118.8772 59.1415 31.8049 179.5177 95 L 3.8141 8.0549 119.3976 57.7553 41.6183 179.1428 96 I 3.5553 8.0282 119.8112 64.7241 36.9204 178.0276 97 A 4.0750 8.0746 120.3534 54.8676 18.1556 178.8686 98 R 4.4781 7.5268 111.3335 55.8730 29.9182 177.0884 99 G 3.8390 8.2031 107.5180 45.8105 0.0000 173.0829 100 C 4.0609 7.9356 120.2189 57.2947 31.6183 171.9607 101 P 4.4450 0.0000 0.0000 64.5698 31.8983 175.9689 102 K 4.4885 7.5986 118.9431 55.1712 35.4760 173.9111 103 I 4.9520 8.2866 126.6007 59.3684 40.7014 174.3967 104 Q 4.7944 8.9345 126.2733 54.2185 32.5521 174.7302 105 I 4.3559 8.1409 122.6166 59.5312 40.8324 174.4295 106 N 4.7030 8.5572 122.4658 51.9286 39.7414 174.6185 107 V 4.3921 7.8867 121.6276 59.9075 34.3107 173.4131 108 P 4.3260 0.0000 0.0000 62.7418 31.7528 177.1939 109 E 3.9825 8.7681 123.3656 58.9959 30.0141 177.6855 110 D 4.4655 8.1429 117.7099 56.2798 39.3646 176.5928 111 N 4.6234 7.8161 119.5818 53.5075 36.4260 175.0676 112 D 4.4664 8.1745 123.5266 53.4715 39.5861 179.5447 *114 V 3.9421 7.8255 121.3183 62.4567 33.5993 176.2219 115 L 4.1896 7.7899 121.2383 58.0958 42.0394 180.4388 116 G 3.9369 7.8462 106.5476 45.9154 0.0000 175.0969 *118 Y 4.4883 8.0886 118.8933 57.7544 40.0728 177.4722 119 E 4.3579 8.4108 120.4930 58.9668 29.3803 179.3985 120 R 4.0266 8.2982 116.8824 58.2656 30.1861 177.2713 121 L 4.6441 7.8062 116.6302 54.7190 42.2732 176.9965 122 G 4.0139 8.3001 107.7809 45.4025 0.0000 173.2555 123 Y 4.2149 8.1359 117.4286 57.1167 38.7867 173.9880 124 E 4.8053 8.4812 123.9950 54.1896 32.0906 174.9109 125 H 4.3564 8.9196 125.9086 56.0381 30.5783 174.2097 126 A 4.5322 8.3672 129.3085 51.1637 20.8648 177.1969 127 D 4.6339 8.1680 121.9341 53.1208 39.5657 176.3621 128 V 4.5366 7.1809 112.3385 59.3069 35.7532 175.4281 129 L 4.5298 8.2595 121.4615 53.3277 43.1330 176.7371 130 S 4.5452 8.5139 119.4747 57.3147 62.8488 173.5071 131 L 4.7538 8.2122 125.3763 53.0634 43.6767 176.5561 132 G 4.1992 8.0612 108.7271 44.2488 0.0000 172.4371 133 K 4.3992 8.1774 122.5341 54.2941 35.0991 175.5899 134 R 4.1265 8.5832 126.9352 56.0990 30.6915 175.4504 135 L 4.4929 8.5384 124.4726 55.3941 43.3707 176.9173 136 I 4.5615 7.3759 117.9534 59.2139 40.1442 174.8125 137 E 4.2174 8.8000 125.2768 56.2295 30.1406 176.1527 138 D 4.9115 8.4582 122.1093 53.2889 42.7458 175.4525 139 E 4.4370 8.2863 118.6716 58.1874 31.1150 176.2888 140 E 4.1639 7.9858 120.4622 56.6444 29.6862 176.6254 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 E 8.30 4.34 0.00 2.06 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 2.25 2.34 0.00 3 I 8.31 4.86 1.89 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 1.42 0.87 0.98 0.00 0.00 4 R 8.94 4.70 0.00 1.81 1.96 0.00 2.70 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 5 V 8.29 4.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.04 0.00 0.00 6 F 8.82 3.90 0.00 1.94 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 7 R 7.60 4.39 0.00 1.78 1.76 0.00 2.72 0.00 0.00 2.96 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.23 0.00 8 Q 8.34 3.77 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 9 E 7.85 3.97 0.00 1.87 1.82 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 2.22 2.27 0.00 10 D 8.08 4.41 0.00 2.11 2.49 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 11 F 7.99 4.11 0.00 3.46 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 12 E 8.30 4.09 0.00 2.23 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 0.00 2.37 2.36 0.00 13 E 8.05 4.04 0.00 2.14 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 2.34 2.38 0.00 14 V 7.65 3.24 1.64 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 -0.49 0.00 0.00 0.88 0.00 0.00 15 I 6.91 3.35 1.76 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 1.03 0.44 0.92 0.00 0.00 16 T 7.79 3.82 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 1.24 0.00 0.00 17 L 7.79 4.01 0.00 1.86 1.88 1.06 1.01 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 W 8.44 4.57 0.00 3.54 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 19 E 8.32 4.00 0.00 2.11 2.13 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 2.34 2.38 0.00 20 R 7.89 4.01 0.00 2.06 1.94 0.00 3.37 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 21 C 7.47 4.58 0.00 3.09 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 22 D 7.77 4.47 0.00 2.74 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 23 L 8.12 4.19 0.00 1.83 1.53 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.73 4.28 0.00 1.61 1.58 1.00 1.12 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 25 R 7.86 4.05 0.00 0.80 0.66 0.00 3.12 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.00 26 P 0.00 4.18 0.00 2.06 2.07 0.00 2.45 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 27 W 7.06 4.44 0.00 3.34 3.28 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 28 N 7.58 4.80 0.00 2.52 3.03 0.00 0.00 6.90 8.57 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 29 D 9.44 4.42 0.00 2.63 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 30 P 0.00 4.57 0.00 2.37 2.64 0.00 3.82 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 31 E 8.09 4.16 0.00 2.42 2.24 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 2.88 2.49 0.00 *33 D 8.18 4.61 0.00 2.93 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 34 I 8.08 3.67 1.40 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.38 0.67 0.00 0.00 35 E 8.62 4.31 0.00 2.03 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 0.00 2.87 2.64 0.00 36 R 7.95 4.17 0.00 2.06 1.98 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 37 K 7.69 3.96 0.00 1.80 1.90 0.00 1.76 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.66 7.81 *39 N 8.15 4.77 0.00 2.81 3.09 0.00 0.00 7.14 7.89 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 40 H 8.11 4.29 0.00 3.24 3.56 0.00 6.09 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.96 4.79 0.00 2.52 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 42 V 7.92 4.27 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 1.01 0.00 0.00 1.06 0.00 0.00 43 S 8.63 4.21 0.00 4.03 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 0.00 44 L 7.97 4.44 0.00 1.89 1.79 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.41 5.13 0.00 3.11 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.69 5.32 0.00 1.69 1.60 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.95 5.10 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 0.66 0.00 0.00 0.92 0.00 0.00 48 A 9.00 5.12 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 49 E 9.53 4.97 0.00 1.92 1.73 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 2.14 2.32 0.00 50 V 8.41 4.14 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.94 0.00 0.00 51 N 9.55 4.50 0.00 2.94 2.95 0.00 0.00 7.40 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 52 G 8.52 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 53 E 7.96 4.25 0.00 2.08 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 0.00 2.42 2.02 0.00 54 V 8.02 4.27 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 0.77 0.00 0.00 0.83 0.00 0.00 55 V 8.50 4.02 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 -0.58 0.00 0.00 0.71 0.00 0.00 56 G 7.61 5.02 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 0.00 0.00 0.00 57 T 8.45 5.56 4.84 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 1.40 0.00 0.00 58 V 9.04 4.39 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 0.83 0.00 0.00 1.00 0.00 0.00 *60 G 8.76 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 0.00 0.00 0.00 61 G 8.45 4.37 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 62 Y 8.25 5.61 0.00 3.00 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 63 D 8.60 4.68 0.00 2.71 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 64 G 7.10 3.61 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 0.00 0.00 0.00 65 H 7.76 4.88 0.00 2.98 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 9.28 4.99 0.00 1.73 1.78 0.00 3.32 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 67 G 9.18 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.39 5.26 0.00 3.27 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.50 4.56 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 70 Y 8.10 4.67 0.00 2.91 2.51 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 71 Y 8.02 3.39 0.00 2.85 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 6.86 4.86 0.00 1.88 1.64 1.03 0.90 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 73 G 8.63 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.25 4.97 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 0.92 0.00 0.00 0.99 0.00 0.00 75 H 9.68 4.12 0.00 3.43 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.71 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 4.33 0.00 2.09 2.11 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 77 E 8.47 4.12 0.00 2.05 1.73 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 2.13 2.09 0.00 78 F 8.58 4.79 0.00 3.22 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 79 R 7.93 4.27 0.00 1.82 1.90 0.00 3.43 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 80 G 8.81 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 0.00 0.00 0.00 81 R 7.44 4.29 0.00 2.17 2.03 0.00 3.23 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 82 G 8.21 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.92 3.73 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.79 0.93 0.00 0.00 84 A 7.95 3.97 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 85 N 8.23 4.20 0.00 2.98 2.90 0.00 0.00 6.95 7.08 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 86 A 8.30 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.62 3.96 0.00 1.92 1.79 0.97 0.85 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 88 L 8.26 4.11 0.00 1.95 1.82 1.02 0.83 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 89 N 8.46 4.43 0.00 2.85 2.89 0.00 0.00 6.64 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 90 R 8.03 3.89 0.00 2.06 2.09 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 91 L 8.07 3.97 0.00 1.87 1.93 0.97 0.87 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 92 E 8.57 3.96 0.00 2.19 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 2.36 2.55 0.00 93 K 8.24 3.98 0.00 2.02 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.61 7.81 94 K 8.37 4.15 0.00 2.05 1.87 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 95 L 8.05 3.81 0.00 1.81 1.51 0.89 0.58 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 96 I 8.03 3.56 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 0.88 0.00 0.00 97 A 8.07 4.08 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 98 R 7.53 4.48 0.00 1.97 2.04 0.00 3.15 0.00 0.00 3.37 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.39 0.00 99 G 8.20 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 0.00 0.00 0.00 100 C 7.94 4.06 0.00 1.26 2.39 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 0.00 101 P 0.00 4.45 0.00 2.19 2.15 0.00 4.04 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 2.04 1.97 0.00 102 K 7.60 4.49 0.00 1.77 1.58 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.37 7.81 103 I 8.29 4.95 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.24 0.84 0.00 0.00 104 Q 8.93 4.79 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 105 I 8.14 4.36 1.26 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 0.44 0.00 0.00 106 N 8.56 4.70 0.00 2.69 2.72 0.00 0.00 6.79 7.68 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 0.00 107 V 7.89 4.39 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 0.88 0.00 0.00 0.83 0.00 0.00 108 P 0.00 4.33 0.00 2.38 1.97 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 109 E 8.77 3.98 0.00 1.90 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 2.29 0.00 110 D 8.14 4.47 0.00 2.81 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 0.00 111 N 7.82 4.62 0.00 3.01 2.84 0.00 0.00 6.79 8.58 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 0.00 112 D 8.17 4.47 0.00 2.86 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *114 V 7.83 3.94 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 0.71 0.00 0.00 1.05 0.00 0.00 115 L 7.79 4.19 0.00 2.01 1.86 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.85 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *118 Y 8.09 4.49 0.00 3.11 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 0.00 119 E 8.41 4.36 0.00 2.20 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 0.00 2.56 2.41 0.00 120 R 8.30 4.03 0.00 1.92 1.97 0.00 3.24 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 121 L 7.81 4.64 0.00 2.19 2.00 0.80 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.30 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 0.00 123 Y 8.14 4.21 0.00 3.11 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 0.00 124 E 8.48 4.81 0.00 1.88 1.80 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 2.17 2.32 0.00 125 H 8.92 4.36 0.00 3.14 3.22 0.00 5.79 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 0.00 126 A 8.37 4.53 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.17 4.63 0.00 2.63 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 0.00 128 V 7.18 4.54 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 0.74 0.00 0.00 0.93 0.00 0.00 129 L 8.26 4.53 0.00 1.61 1.57 0.91 0.86 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 0.00 130 S 8.51 4.55 0.00 3.84 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 0.00 131 L 8.21 4.75 0.00 1.58 1.55 0.91 0.87 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 0.00 132 G 8.06 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 0.00 0.00 0.00 0.00 133 K 8.18 4.40 0.00 1.63 1.61 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.38 7.81 134 R 8.58 4.13 0.00 1.72 1.77 0.00 3.29 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 135 L 8.54 4.49 0.00 1.64 1.67 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.38 4.56 1.88 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 1.42 0.60 0.92 0.00 0.00 137 E 8.80 4.22 0.00 1.97 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 2.28 0.00 138 D 8.46 4.91 0.00 2.93 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 0.00 139 E 8.29 4.44 0.00 1.97 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 2.26 2.29 0.00 140 E 7.99 4.16 0.00 2.10 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 2.30 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.