NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3018 8.2544 119.0705 56.4085 32.0609 176.3754 8 T 4.0972 7.4572 112.7674 60.4914 69.5090 173.6014 9 K 3.9453 8.6593 125.4349 59.5888 32.6865 179.0024 10 K 3.8860 7.9258 119.3024 59.6430 31.9721 178.3935 11 Q 3.9643 8.0379 119.0981 58.9841 29.0971 177.6873 12 A 3.9475 8.1251 121.9079 55.0787 18.4008 179.7189 13 I 3.5743 7.7100 118.0486 64.4819 37.2739 178.5238 14 L 3.7414 7.8901 119.6328 57.9542 41.3935 179.5872 15 E 3.8730 8.2795 118.4896 59.6640 29.3922 179.6925 16 T 3.7683 7.9436 115.5200 66.3865 68.5316 176.6545 17 A 3.4024 8.1093 123.0625 54.7257 18.0983 179.2935 18 L 3.6967 7.6229 118.6136 58.3779 42.1553 179.1167 19 Q 4.0292 7.6248 117.4939 59.1955 28.7188 179.1731 20 L 4.0606 7.8681 119.7556 57.8053 41.2329 179.5845 21 F 5.2617 8.6965 119.2532 59.6312 38.5199 177.8764 22 V 3.9933 7.6030 117.7760 65.8581 31.7187 177.9393 23 S 4.4046 8.1724 112.4006 60.3762 63.2830 174.6169 24 Q 4.4344 8.8837 119.0768 54.5135 30.5759 176.3225 25 G 4.3965 8.2813 104.1604 45.8828 0.0000 174.6491 26 F 3.9112 8.4999 119.6884 61.5527 39.3201 177.2256 27 H 4.2136 8.2398 115.2112 57.7338 28.8006 176.5487 28 G 4.0427 8.0054 105.9401 45.8541 0.0000 173.3708 29 T 4.5804 7.4664 117.6527 61.6931 70.6378 174.7250 30 S 4.7220 8.3071 121.3849 57.2479 66.2459 175.3699 31 T 3.8197 8.4246 113.5334 64.8190 68.3486 176.5122 32 A 3.9748 7.9627 123.1807 55.3396 18.4418 179.4737 33 T 3.7818 7.8375 114.2117 66.7735 68.5494 176.8078 34 I 3.5404 7.6214 121.2643 64.2840 37.0798 178.1398 35 A 3.9331 8.0897 121.6413 55.2142 18.3422 179.5003 36 R 3.7994 8.0876 117.0324 59.8894 30.0081 178.6512 37 E 3.9716 8.2128 116.6929 59.1630 29.4577 178.8379 38 A 4.2418 7.4189 121.3575 51.8094 18.8269 177.4809 39 G 3.7578 8.0233 104.5226 46.9195 0.0000 173.7169 40 V 4.4820 7.7887 110.8211 58.5684 35.5237 176.0117 41 A 4.2618 8.2736 124.8348 51.9242 19.3456 178.8707 42 T 4.0132 8.7903 112.0198 65.1031 68.4922 176.9196 43 G 3.7681 8.1917 107.8369 48.1064 0.0000 175.6480 44 T 3.9323 7.9606 118.1025 66.0818 68.3534 176.5731 45 L 4.0161 7.8387 121.8366 58.3434 41.9518 178.9524 46 F 5.0501 8.0018 118.3760 59.6800 38.5570 177.3074 47 H 4.2076 7.8845 117.2995 59.7992 29.8205 176.7641 48 H 4.3193 7.4978 115.9194 56.9355 29.0745 175.3391 49 F 4.8272 8.2597 119.4568 54.7308 40.3070 173.5943 50 P 4.7165 0.0000 0.0000 64.2519 31.7830 177.3283 51 S 5.0251 7.8753 111.6521 55.6690 67.4805 174.6681 52 K 4.1653 8.8188 122.6749 59.4589 31.9356 178.7982 53 E 4.0715 8.4549 118.7207 59.6847 29.4302 179.1623 54 Q 4.1116 8.2179 117.9234 58.7743 28.7160 178.5935 55 L 3.4902 7.9956 120.9785 57.9385 42.0555 178.7798 56 L 4.1798 8.2633 120.2800 58.3190 42.0019 178.8310 57 E 4.0502 8.4016 118.5412 59.5874 29.4136 179.4203 58 Q 4.1451 8.5364 118.4066 58.6948 28.7052 178.4624 59 L 3.8504 8.1710 121.4983 58.0520 42.1741 178.4495 60 F 4.5919 8.7466 120.9892 61.8964 39.2383 177.2048 61 L 4.1334 8.4793 118.4233 57.4983 41.3937 179.8021 62 G 3.6144 8.2055 105.8120 47.9108 0.0000 175.9809 63 V 3.6568 8.0378 121.6437 65.4090 31.4528 178.0906 64 K 4.0031 8.2083 118.3312 59.6089 31.7861 179.0270 65 Q 3.9615 8.4130 119.9383 59.1650 28.9521 178.0214 66 E 3.9915 8.2650 119.6114 59.4124 29.5806 179.0923 67 F 3.0933 8.2763 120.2629 60.9531 39.3774 176.9337 68 A 3.8647 8.1732 120.4239 55.2560 18.2210 179.3186 69 D 4.1672 8.3210 117.3922 57.3662 40.3638 178.9664 70 A 3.9915 8.0020 121.4950 55.1825 18.2324 179.8014 71 I 3.6256 7.1312 110.3345 64.1033 38.0676 178.1747 72 Q 3.8335 7.8223 119.6291 58.4568 28.2962 178.3026 73 A 4.0551 7.8025 120.5818 54.5187 18.4765 178.9760 74 S 4.4743 7.4969 110.9514 58.1952 63.2733 174.0538 75 V 4.3426 7.1565 121.7607 60.8584 32.8212 174.6049 76 S 4.5280 8.4127 122.1690 56.0480 62.9945 173.2513 77 S 4.5783 8.5922 124.6170 58.6986 62.6722 174.6476 78 R 4.4418 8.6472 123.3891 55.7789 30.2755 175.8497 79 G 4.0204 8.3041 105.9957 46.1277 0.0000 173.8128 80 D 4.6675 7.8554 119.7175 52.7174 42.3544 176.0864 81 L 4.0339 8.5163 128.9826 58.2828 42.2693 178.6265 82 K 3.2145 8.0330 119.0612 59.2240 32.0236 178.3309 83 Q 3.8193 8.6638 120.2131 59.2419 28.8539 177.9978 84 D 4.3576 8.2882 119.6981 57.3333 40.8117 178.5308 85 A 4.3193 8.6459 121.7574 55.2018 18.3885 179.3357 86 E 2.8048 8.3028 117.8439 59.2382 29.6016 179.0250 87 Q 4.0964 8.1547 118.0713 59.0670 28.7509 178.9846 88 L 4.0242 8.5191 120.4025 57.3914 41.7037 179.3392 89 W 4.0783 8.5004 128.4742 60.7104 30.6260 178.1676 90 F 4.5923 8.4039 117.3638 60.2390 38.3148 177.7186 91 A 4.0906 8.5025 120.8465 54.9020 18.1545 179.5637 92 A 3.9349 8.1840 119.4111 55.4405 18.2952 179.9468 93 L 3.8524 7.7066 116.2245 58.0626 41.6665 179.5890 94 T 4.0526 8.1750 115.2777 66.2847 68.7096 176.1381 95 W 4.3056 8.5605 130.1180 60.3498 30.4923 178.2612 96 A 3.8806 8.1596 115.3517 53.3293 17.7798 177.9656 *98 A 4.1965 7.9215 124.0442 52.8368 20.9129 177.7405 99 N 4.7063 7.1889 113.1662 50.0675 38.6746 173.1909 100 P 4.1091 0.0000 0.0000 65.4387 31.7662 178.6144 101 L 3.8878 7.6338 119.5507 58.0936 42.2780 178.9607 102 K 3.9357 7.7610 117.9160 59.2858 31.8866 179.0819 103 Q 4.1318 8.1293 119.8930 59.1696 29.0232 177.9375 104 A 4.0385 8.2215 121.9405 55.1399 18.3451 179.3349 105 F 4.3666 8.4782 119.1967 61.5773 39.3944 177.4634 106 F 4.6380 8.3123 117.3556 60.7997 38.5538 177.3431 107 Q 4.0093 8.3036 118.0925 59.3379 28.8761 178.1382 108 L 3.9747 8.0008 118.9324 56.8422 41.7970 177.9164 109 Y 4.5117 7.7767 114.1141 58.1969 39.9343 177.1886 110 S 4.4202 8.2086 114.4827 60.4400 63.2357 174.2886 *112 S 4.1965 7.7048 114.9314 57.3910 63.6169 172.8206 113 P 4.2996 0.0000 0.0000 64.3340 31.3963 178.0507 114 T 3.8629 7.5454 115.8484 66.3547 68.4850 175.3179 115 V 3.5525 6.7003 120.2661 61.6447 32.3216 176.0275 116 E 3.8896 8.5119 125.7437 56.9571 30.8260 178.0653 117 Q 3.9563 8.7583 123.9653 59.4375 29.1164 178.9597 118 S 4.1160 7.9913 114.7211 61.5033 63.0903 176.6004 119 V 3.6643 7.6657 121.3445 65.7573 31.1805 178.1018 120 R 4.1827 7.8028 116.9714 59.3083 29.9031 178.5005 121 D 4.4643 8.1495 118.2947 57.3229 41.1172 178.1667 122 Q 4.1855 8.2024 119.9239 58.9950 28.9258 177.8993 123 A 3.9522 7.8628 117.8117 53.6293 17.8089 178.5014 *125 H 4.5579 8.1454 117.2231 56.2552 30.1934 173.8361 126 G 3.8583 7.3078 108.6247 47.0658 0.0000 176.0078 127 I 3.7408 7.8114 122.3057 63.1756 37.8101 177.8778 128 L 4.6490 8.1064 119.7201 54.2818 41.9065 178.9762 129 G 3.7382 7.9336 109.2565 47.8216 0.0000 175.9800 130 F 4.3258 8.2463 116.1752 59.5803 37.8168 177.6313 131 I 3.4074 6.7833 120.4952 64.2551 36.8311 178.1560 132 A 4.0089 7.8148 121.0359 55.0373 18.1959 179.1388 133 E 3.8982 7.8827 117.8125 59.4187 29.6915 179.0770 134 L 4.1111 8.1803 119.1406 57.7049 41.6325 179.5244 135 I 3.6652 7.8629 119.8104 64.4737 37.0920 178.5541 136 R 3.9044 8.1716 118.9856 59.5092 29.9698 179.1960 137 Q 4.1395 8.3736 117.8828 58.9429 28.6359 179.0707 138 G 3.6756 8.3714 106.8166 47.6726 0.0000 175.9299 139 Q 4.1637 8.5332 121.6017 58.2519 28.5543 178.4580 140 A 4.0539 7.9150 121.0407 54.6648 18.5112 178.9598 141 S 4.4542 7.9194 110.2397 58.3904 63.5779 175.1844 142 G 3.8837 7.5378 110.2505 46.3549 0.0000 174.3529 143 E 4.3070 8.0706 121.0236 57.1203 30.0507 176.2634 144 L 4.6164 7.7038 118.1189 52.0721 43.9530 176.0967 145 A 3.7132 7.8710 124.7025 52.4398 18.9509 178.0589 146 E 4.1887 7.7169 120.7492 54.9075 28.1361 175.2682 147 Y 4.8496 7.0135 118.9767 54.9754 40.3859 174.0759 148 P 4.2660 0.0000 0.0000 63.0097 31.9267 177.3346 149 I 3.6655 8.6294 123.3951 64.2085 38.2242 176.6150 150 E 4.0941 8.1923 120.4556 59.0609 29.8170 178.4425 151 L 4.2608 7.5819 118.1372 55.4060 41.6960 178.1943 *153 Q 4.2417 8.2135 119.9338 55.6972 30.9031 176.7640 154 D 4.4473 8.2746 117.7306 57.2824 40.6415 178.3111 155 N 4.3167 8.4413 117.7342 56.8653 38.9363 176.5298 156 C 4.4265 8.2141 117.6659 63.3644 28.3149 175.5193 157 H 4.4428 8.5713 119.6876 59.3989 29.5172 177.5584 158 G 3.6730 8.6968 107.9523 48.0050 0.0000 175.7467 159 Q 4.2351 8.7014 120.7547 58.6961 28.7195 178.0475 160 Y 4.2208 8.7310 120.8789 60.9174 38.9283 178.2605 161 L 3.8400 8.3232 119.6299 57.4929 41.6685 179.4648 162 A 3.9908 8.2677 120.7101 55.1644 18.3355 179.6154 163 A 4.0598 8.3755 119.7467 55.4073 18.5065 179.9268 164 T 3.8810 7.9552 108.4364 64.4003 68.8569 177.1558 165 R 3.8128 7.9628 121.7803 59.4022 30.1411 177.6696 166 Y 4.0089 7.9712 119.1919 61.0247 38.6717 178.3097 167 F 4.4649 8.3641 118.2873 60.1190 38.7646 178.0371 168 V 3.6383 7.7057 117.6954 65.8985 31.3943 177.5295 169 D 4.4568 8.1168 118.0550 56.0149 42.2048 176.4164 170 H 4.8850 7.9127 116.1427 52.5645 28.9070 172.2898 171 P 4.8403 0.0000 0.0000 65.0824 31.4159 178.4753 172 E 4.0667 8.2622 117.1185 59.2999 29.5615 179.0392 173 R 4.3121 8.3097 118.9525 58.4669 29.9555 178.4663 174 W 4.0199 8.1535 127.7035 59.8078 30.7353 177.1115 175 Q 4.1622 7.7387 116.0268 55.4902 28.6824 175.3902 176 Q 4.4292 7.6540 120.7040 53.9148 29.8595 176.0426 177 A 3.8740 8.6817 126.4138 55.5086 18.2886 178.7470 178 H 4.2688 8.2559 113.0742 58.9274 28.6362 177.6785 179 E 4.0983 7.9561 120.7871 59.1985 29.5714 179.3038 180 R 4.4228 8.1168 118.0944 59.6666 30.1757 179.2962 181 S 4.5357 8.7557 115.1456 61.7523 62.8644 176.6626 182 A 4.1801 8.4581 123.7471 55.0937 18.1374 179.8405 183 S 4.3298 8.5851 112.8979 61.8340 63.2436 176.5900 184 F 3.4915 8.7537 124.1777 60.4831 38.8565 176.8400 185 A 3.9429 8.0784 119.6133 55.2341 18.1816 179.2915 186 L 4.0206 7.9859 117.3974 57.7140 41.4307 179.5361 187 F 4.1807 7.3154 120.3723 60.3842 39.3237 176.7126 188 W 3.6862 7.5973 126.7462 60.4569 30.5888 177.6024 189 N 4.3435 8.1304 113.9480 55.6308 38.0251 176.6756 190 A 3.8546 6.9777 118.1146 52.6739 18.4953 176.6822 *192 A 3.7971 7.2368 119.1560 51.6838 19.7417 177.7332 193 V 3.6334 8.0698 113.8654 61.5879 32.5307 176.8379 194 R 4.2642 8.2133 121.3888 56.4196 30.4963 175.3738 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 7 R 8.25 4.30 0.00 1.85 1.91 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 8 T 7.46 4.10 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 1.23 0.00 0.00 9 K 8.66 3.95 0.00 1.87 1.90 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.51 7.81 10 K 7.93 3.89 0.00 1.53 1.74 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.60 1.09 7.81 11 Q 8.04 3.96 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 12 A 8.13 3.95 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 13 I 7.71 3.57 2.18 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.59 0.83 0.00 0.00 14 L 7.89 3.74 0.00 1.81 1.64 1.07 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.28 3.87 0.00 2.01 1.92 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 2.26 2.42 0.00 16 T 7.94 3.77 4.19 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 1.18 0.00 0.00 17 A 8.11 3.40 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.62 3.70 0.00 1.59 1.69 0.48 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.62 4.03 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 20 L 7.87 4.06 0.00 1.51 1.70 0.82 0.98 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 21 F 8.70 5.26 0.00 3.18 3.18 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 22 V 7.60 3.99 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 0.95 0.00 0.00 1.35 0.00 0.00 23 S 8.17 4.40 0.00 4.11 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 24 Q 8.88 4.43 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.52 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 25 G 8.28 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 0.00 0.00 0.00 0.00 26 F 8.50 3.91 0.00 2.97 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 27 H 8.24 4.21 0.00 3.25 3.33 0.00 5.75 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 28 G 8.01 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 0.00 0.00 0.00 29 T 7.47 4.58 4.64 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 1.25 0.00 0.00 30 S 8.31 4.72 0.00 4.06 3.98 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 0.00 0.00 0.00 31 T 8.42 3.82 4.07 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 0.00 0.00 1.21 0.00 0.00 32 A 7.96 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 3.78 4.38 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 1.19 0.00 0.00 34 I 7.62 3.54 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 0.72 0.00 0.00 35 A 8.09 3.93 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 36 R 8.09 3.80 0.00 1.96 2.07 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 37 E 8.21 3.97 0.00 1.95 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 2.43 2.44 0.00 38 A 7.42 4.24 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 39 G 8.02 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 40 V 7.79 4.48 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 0.74 0.00 0.00 0.93 0.00 0.00 41 A 8.27 4.26 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 42 T 8.79 4.01 4.48 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 1.28 0.00 0.00 43 G 8.19 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 0.00 0.00 0.00 44 T 7.96 3.93 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 45 L 7.84 4.02 0.00 1.59 1.47 0.76 0.41 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 46 F 8.00 5.05 0.00 3.25 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 7.88 4.21 0.00 3.08 3.42 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 7.50 4.32 0.00 2.64 2.33 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.26 4.83 0.00 3.01 2.97 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 50 P 0.00 4.72 0.00 2.32 2.22 0.00 3.82 0.00 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 51 S 7.88 5.03 0.00 4.26 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 52 K 8.82 4.17 0.00 1.93 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.63 7.81 53 E 8.45 4.07 0.00 2.22 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 2.48 2.55 0.00 54 Q 8.22 4.11 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 55 L 8.00 3.49 0.00 1.56 1.90 -0.23 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.26 4.18 0.00 1.67 1.66 0.47 -0.05 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 57 E 8.40 4.05 0.00 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0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 66 E 8.26 3.99 0.00 2.42 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 0.00 2.41 2.54 0.00 67 F 8.28 3.09 0.00 2.29 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 68 A 8.17 3.86 1.47 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 69 D 8.32 4.17 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.00 3.99 1.42 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 0.00 0.00 0.00 0.00 0.00 71 I 7.13 3.63 1.65 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.40 0.34 0.00 0.00 72 Q 7.82 3.83 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 1.31 1.69 0.00 73 A 7.80 4.06 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 74 S 7.50 4.47 0.00 4.04 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 75 V 7.16 4.34 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 0.77 0.00 0.00 1.01 0.00 0.00 76 S 8.41 4.53 0.00 3.82 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 77 S 8.59 4.58 0.00 3.88 3.75 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 78 R 8.65 4.44 0.00 1.84 1.77 0.00 3.28 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 79 G 8.30 4.02 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 80 D 7.86 4.67 0.00 2.80 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 81 L 8.52 4.03 0.00 1.91 1.96 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.03 3.21 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.81 3.74 2.04 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 1.64 0.61 0.96 0.00 0.00 128 L 8.11 4.65 0.00 1.60 1.34 0.75 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.93 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 0.00 130 F 8.25 4.33 0.00 3.25 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 6.78 3.41 1.67 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 1.03 -0.36 0.87 0.00 0.00 132 A 7.81 4.01 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 0.00 133 E 7.88 3.90 0.00 2.13 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 0.00 2.36 2.45 0.00 134 L 8.18 4.11 0.00 2.01 1.84 1.22 0.77 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 0.00 135 I 7.86 3.67 1.96 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 1.46 0.73 0.83 0.00 0.00 136 R 8.17 3.90 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 137 Q 8.37 4.14 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 138 G 8.37 3.68 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 0.00 0.00 0.00 139 Q 8.53 4.16 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.27 0.00 140 A 7.92 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.45 0.00 4.11 4.02 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 0.00 142 G 7.54 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 0.00 0.00 0.00 143 E 8.07 4.31 0.00 2.26 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 0.00 2.51 2.41 0.00 144 L 7.70 4.62 0.00 1.47 1.23 0.81 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.87 3.71 0.31 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 0.00 146 E 7.72 4.19 0.00 1.82 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 2.12 2.14 0.00 147 Y 7.01 4.85 0.00 2.91 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.27 0.00 2.18 2.00 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 149 I 8.63 3.67 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.91 0.00 0.00 150 E 8.19 4.09 0.00 2.06 1.94 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 2.41 2.38 0.00 151 L 7.58 4.26 0.00 1.79 1.79 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 *153 Q 8.21 4.24 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 154 D 8.27 4.45 0.00 2.89 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 0.00 155 N 8.44 4.32 0.00 2.87 2.79 0.00 0.00 7.19 7.97 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 0.00 156 C 8.21 4.43 0.00 3.35 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 0.00 157 H 8.57 4.44 0.00 3.38 3.55 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.70 3.67 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 0.00 159 Q 8.70 4.24 0.00 2.49 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 160 Y 8.73 4.22 0.00 3.29 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 0.00 161 L 8.32 3.84 0.00 1.91 1.89 0.82 0.80 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 0.00 162 A 8.27 3.99 1.43 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 0.00 0.00 163 A 8.38 4.06 1.68 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 0.00 0.00 164 T 7.96 3.88 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 0.62 0.00 0.00 165 R 7.96 3.81 0.00 2.03 2.24 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 166 Y 7.97 4.01 0.00 3.09 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 0.00 167 F 8.36 4.46 0.00 3.09 2.98 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 0.00 0.00 0.00 168 V 7.71 3.64 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 169 D 8.12 4.46 0.00 2.54 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 0.00 0.00 0.00 0.00 170 H 7.91 4.88 0.00 2.81 3.03 0.00 5.62 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 0.00 171 P 0.00 4.84 0.00 2.32 2.35 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.89 0.00 172 E 8.26 4.07 0.00 2.23 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 2.42 2.39 0.00 173 R 8.31 4.31 0.00 2.23 2.32 0.00 2.85 0.00 0.00 3.49 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 174 W 8.15 4.02 0.00 3.19 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 7.74 4.16 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 176 Q 7.65 4.43 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 177 A 8.68 3.87 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 0.00 178 H 8.26 4.27 0.00 3.42 3.60 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 E 7.96 4.10 0.00 2.59 2.56 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 2.16 2.69 0.00 180 R 8.12 4.42 0.00 1.87 1.82 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.50 0.00 181 S 8.76 4.54 0.00 4.02 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 0.00 182 A 8.46 4.18 1.52 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 0.00 0.00 183 S 8.59 4.33 0.00 4.80 4.76 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 0.00 184 F 8.75 3.49 0.00 2.99 3.40 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 0.00 185 A 8.08 3.94 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 0.00 186 L 7.99 4.02 0.00 1.87 1.71 0.91 0.73 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 0.00 187 F 7.32 4.18 0.00 1.64 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 0.00 0.00 0.00 0.00 188 W 7.60 3.69 0.00 2.19 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 0.00 189 N 8.13 4.34 0.00 2.78 2.81 0.00 0.00 6.85 7.35 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 0.00 190 A 6.98 3.85 1.16 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 0.00 0.00 *192 A 7.24 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 8.07 3.63 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 0.56 0.00 0.00 0.96 0.00 0.00 194 R 8.21 4.26 0.00 1.63 1.75 0.00 3.22 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.