NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.5447 8.0427 122.7542 54.9889 44.1987 174.8833 5 V 4.6138 8.9236 124.8436 60.7021 34.6796 172.5294 6 I 4.8037 8.7114 128.9086 59.4816 40.5881 173.5678 7 N 4.7992 8.8717 126.4438 52.8983 39.6921 175.8024 8 G 3.6210 8.6157 114.1213 48.8963 0.0000 174.4602 9 T 3.8632 7.8702 115.5283 61.7362 67.3659 171.5272 10 P 4.5472 0.0000 0.0000 63.1727 32.2370 175.8392 11 R 4.3836 7.7054 120.3366 54.7806 30.4130 177.4716 12 K 4.0314 8.8435 123.7513 58.8235 32.4775 176.9852 13 H 4.9940 7.8369 114.1968 54.8049 28.8079 173.9318 14 G 4.1936 7.6603 107.7808 44.8975 0.0000 175.3807 15 R 3.9557 8.4010 119.6342 59.2169 30.0632 179.6447 16 T 3.9036 7.8595 115.4427 66.2836 68.4971 176.4746 17 R 4.2045 7.6673 122.3162 58.8503 29.9714 178.4970 18 I 3.6908 7.7766 118.7544 64.5143 37.3497 177.8156 19 A 4.0132 7.7711 121.1380 55.2949 18.0988 179.5295 20 A 3.9436 8.1341 118.9078 55.5118 18.4572 180.0107 21 S 4.0900 8.1730 113.6233 62.3075 62.9002 175.7023 22 Y 4.1252 8.4387 122.1689 61.0039 38.4160 177.9816 23 I 3.4965 8.2107 119.4133 64.7982 37.5061 178.0732 24 A 4.5503 8.5088 122.1508 55.0586 18.0993 179.0079 25 A 4.0142 8.3036 119.5292 54.5072 18.4177 179.2518 26 L 3.8213 8.1268 119.8404 57.4503 42.4418 178.2990 27 Y 4.2402 7.9266 114.1572 56.1594 39.6081 174.3570 28 H 4.0218 8.0169 116.6642 56.8311 26.3771 173.2218 29 T 4.7986 8.6378 111.5346 59.1633 73.5506 173.7703 30 D 4.7160 8.6062 121.8854 54.2514 42.1266 174.2882 31 L 5.0633 8.5243 128.1658 53.5872 44.4471 175.9668 32 I 4.3346 8.5609 126.0986 59.3412 39.8180 173.4289 33 D 4.8754 8.4854 127.2711 53.3340 41.6422 176.3827 34 L 4.6046 8.0973 125.5125 56.0329 41.3192 178.9178 35 S 4.5056 9.0431 116.5267 60.3294 63.2337 174.7233 36 E 4.4870 8.1890 116.1640 57.5865 31.0103 176.6157 37 F 4.3081 8.6475 124.4459 56.9383 37.4759 172.8405 38 V 4.5884 7.7462 123.8052 60.4100 33.5816 174.5913 39 L 4.9109 8.3172 125.0342 51.8717 45.0832 174.2134 40 P 4.5408 0.0000 0.0000 62.0172 32.1138 176.3567 41 V 3.8084 8.4243 118.9448 62.7697 31.2944 175.2429 42 F 4.3843 8.2880 128.8563 58.4596 39.6854 174.7985 43 N 4.4644 8.5701 122.0601 51.3946 39.0501 174.2283 44 G 3.6955 6.4339 107.9402 45.7774 0.0000 172.2058 45 E 4.5499 7.8215 119.4507 55.2693 34.2004 175.7168 46 A 3.9286 8.8335 127.6230 55.5383 18.8370 178.9382 47 E 3.9341 8.3991 112.2586 59.6048 29.7470 178.4198 48 Q 4.0525 8.2955 120.8971 58.8182 29.1584 178.0390 49 S 4.5266 7.9348 108.2094 58.8697 62.4147 174.3359 50 E 4.7345 7.9825 119.8445 55.6219 31.1320 177.7152 51 L 4.6254 7.6208 122.6857 54.7131 41.9490 176.8885 52 L 4.3676 8.5409 123.9626 57.1957 42.7348 177.8022 53 K 3.5695 7.6446 119.4230 59.3476 32.3592 179.3551 54 V 3.4950 7.6970 118.5816 66.2141 31.4007 178.0171 55 Q 4.0751 7.9616 116.3158 58.7985 28.4599 177.7584 56 E 3.9586 7.7861 121.6094 58.9542 29.6815 178.3497 57 L 3.8858 8.4606 120.7621 58.2955 42.2339 179.0152 58 K 3.8894 8.0195 118.3300 59.9106 32.0558 178.9741 59 Q 3.9489 8.0934 118.3508 58.8531 28.5158 178.6417 60 R 3.9155 8.4407 119.1845 59.4315 29.9540 179.5386 61 V 3.4882 7.4151 117.1053 66.0730 31.7779 177.6453 62 T 3.9225 7.5053 109.4878 63.2717 67.2078 174.8770 63 K 4.1976 7.5663 119.4176 57.7138 33.4010 176.5711 64 A 4.1849 7.0119 121.2324 52.0779 19.0154 177.2020 65 D 4.4951 8.7568 121.5018 56.6877 41.3530 176.8522 66 A 5.0336 7.6653 117.6191 50.1557 22.6551 175.4294 67 I 4.7036 8.6630 120.3689 59.4861 41.3686 175.2257 68 V 4.1210 9.0552 126.4983 61.1595 33.2499 173.8718 69 L 4.7141 8.3415 131.1123 54.0039 43.3777 175.1395 70 L 5.7295 8.4767 126.2289 52.3116 45.0322 175.6173 71 S 4.8131 8.2274 116.2686 56.2669 65.9683 171.3029 72 P 4.9217 0.0000 0.0000 62.1586 32.7527 175.0451 73 E 4.3402 8.4159 122.8725 55.8052 30.4642 175.6042 74 Y 4.7134 9.0926 126.2823 57.2842 39.3330 175.7189 75 H 4.2983 9.1399 124.4982 57.5560 25.8045 175.0585 76 S 4.0908 8.1886 107.0307 59.1526 62.1833 173.4524 77 G 3.8667 7.3230 119.0046 44.4319 0.0000 177.2641 *79 S 4.3016 8.8502 120.2351 57.4979 64.9504 173.9417 80 G 3.7957 8.9348 111.3608 47.8006 0.0000 175.7260 81 A 4.0281 7.9491 122.5132 55.1369 18.5598 179.2585 82 L 3.8918 8.1054 119.1663 58.1569 42.1554 179.1374 83 K 3.9124 8.0391 119.6802 59.2335 31.8535 178.3919 84 N 4.2570 8.0623 116.8830 56.6330 38.7715 176.8100 85 A 4.2533 7.9494 122.0892 55.0900 18.0640 179.4769 86 L 4.1073 7.8674 117.1459 57.3593 41.4989 178.8637 87 D 4.2250 7.4047 117.6298 56.1181 40.7253 178.0179 88 F 4.5501 7.3528 118.3438 60.1118 39.4226 175.7379 89 L 4.5058 7.4840 116.4239 54.6706 43.6088 174.4341 90 S 4.6437 8.0971 111.4170 58.5026 65.9728 175.8137 91 S 4.5060 8.5916 113.1327 61.0495 62.5458 175.9340 92 E 4.0647 7.7516 119.5653 58.2554 29.3268 177.0128 93 Q 4.5190 8.1787 114.6420 55.4595 30.3539 175.8073 94 F 4.7320 7.4720 115.6992 57.8160 41.5993 174.7350 95 K 4.4802 8.5939 120.6943 56.8757 31.4692 175.2658 96 Y 3.6703 8.6537 122.9883 58.4053 36.9013 169.9337 97 K 4.3221 8.9096 124.2910 55.3187 33.5870 174.4219 98 P 4.8327 0.0000 0.0000 63.1597 32.3988 175.4726 99 V 5.0338 9.1235 123.4656 61.0412 35.8444 173.9957 100 A 4.7721 8.4318 126.1837 50.0262 21.6445 175.4722 101 L 4.4826 8.4021 122.5754 54.9855 43.7524 176.5167 102 L 4.6892 8.5361 123.8529 54.2952 45.4167 173.9921 103 A 5.2522 8.8392 128.5038 50.1089 22.5874 175.2104 104 V 4.6947 8.4594 119.9185 61.2914 33.8407 174.5940 105 A 5.0736 8.5057 129.1391 49.2988 22.8936 175.4866 106 G 3.6521 8.5126 105.4317 46.2080 0.0000 175.4225 107 G 4.2286 8.2111 110.5135 45.0284 0.0000 174.3747 108 G 3.8027 8.3627 106.8924 46.8063 0.0000 174.8439 109 K 4.2929 8.6372 121.2370 56.2641 32.8583 177.0918 110 G 3.7668 7.2444 107.2805 46.3112 0.0000 172.6259 111 G 4.2320 9.6624 111.7664 46.4857 0.0000 176.7329 112 I 3.6422 8.0375 120.8229 64.2894 37.1730 178.1324 113 N 4.3102 8.1588 116.4564 56.1059 38.1408 177.2558 114 A 3.9349 8.0337 120.9325 55.0008 18.6771 179.1025 115 L 4.0215 7.8009 116.3750 58.2707 42.0069 179.2872 116 N 4.4431 8.4317 116.5081 56.1656 38.2951 176.9290 117 N 4.3252 7.7135 114.2030 54.6651 38.3797 176.1117 *119 R 4.1047 7.7713 119.0588 56.4511 31.7321 176.7339 120 T 3.9172 8.0069 113.2228 66.7415 68.6562 176.2048 121 V 3.6854 7.8337 119.1464 63.3270 31.1506 177.4590 *123 R 4.1258 8.1262 120.7709 55.6059 31.6127 177.6456 124 G 3.6055 7.8766 106.2931 48.2514 0.0000 174.2601 125 V 4.1026 7.6274 112.1093 61.1812 31.8999 175.9595 126 Y 3.0823 8.0236 117.9185 58.1138 37.7213 169.4843 127 A 4.8121 7.7171 119.5118 52.0771 19.9328 177.6079 128 N 4.7165 8.9575 116.9197 51.7582 40.0899 172.1607 129 V 4.3554 7.9474 124.0498 61.6518 32.3357 175.3678 130 I 3.2589 8.1361 122.5858 60.0861 37.7898 174.2841 131 P 4.2258 0.0000 0.0000 65.5693 31.3034 176.9936 132 K 3.9645 7.6540 118.6346 56.6864 32.3123 175.7045 133 Q 4.7994 8.3470 123.1467 54.4159 32.0424 173.9207 134 L 4.8815 8.3588 121.4841 53.3340 46.2320 175.1411 135 V 4.8978 8.2379 122.1993 61.0786 34.4835 174.3675 136 L 4.6257 8.9337 128.2364 53.2372 43.8327 176.4492 137 D 5.3113 8.6868 123.4790 51.5194 42.6283 175.7201 138 P 4.2821 0.0000 0.0000 65.7946 31.3137 179.4614 139 V 3.5880 7.7174 116.1879 64.1702 31.5249 176.3017 140 H 4.6683 8.4787 117.1579 55.6366 29.1693 174.2807 141 I 4.6717 7.6483 121.2219 59.5327 39.6109 175.8580 142 D 4.6517 8.5180 126.4297 52.1733 39.5193 176.6346 143 V 3.6773 7.9139 122.9995 64.9383 32.2513 176.9594 144 E 4.1237 7.9965 119.1643 58.8226 29.3931 178.0501 145 N 4.8178 8.0729 113.5942 53.1175 38.2368 174.1757 146 A 3.7899 8.2542 117.5485 53.5958 16.2893 176.6814 147 T 4.7448 7.6139 115.1683 60.5648 71.9058 174.1791 148 V 3.9641 8.0196 119.2115 60.9276 32.5131 176.0415 149 A 4.0210 8.6708 126.6321 51.9251 19.1005 178.2410 150 E 3.8395 9.2039 122.3438 59.8273 29.4216 179.6332 151 N 4.3401 8.2146 114.6144 55.3781 37.2711 175.4756 152 I 4.2757 7.8808 119.4684 61.2969 39.5465 176.9065 153 K 3.9232 7.9552 119.6154 59.7567 31.3385 178.5119 154 E 3.9650 8.1288 118.8530 59.4785 29.7517 178.5146 155 S 4.1437 8.0100 115.0933 61.8989 62.9449 176.5265 156 I 3.6869 7.8711 121.6094 64.7897 36.7665 177.6653 157 K 4.3270 8.3455 121.1740 59.2147 31.9797 178.5127 158 E 4.0914 8.1808 116.8396 58.5309 29.4855 178.8308 159 L 3.8790 7.6328 121.7617 58.3334 42.2902 178.8887 160 V 3.4420 7.6722 118.1846 65.7975 31.1159 177.6184 161 E 3.9934 8.2584 118.7834 59.3496 29.6122 178.2186 162 E 4.1765 8.3079 118.5712 58.8476 29.9270 178.1231 163 L 4.1497 8.0958 121.1598 57.8822 42.3300 181.1719 164 S 4.0702 8.2126 115.7272 58.3404 62.7517 176.2010 *166 F 4.3695 8.1934 122.2508 58.6366 41.0188 177.5750 167 A 4.1130 8.1102 122.7759 55.2514 18.3210 179.0024 168 K 4.0961 8.1823 113.9703 59.3470 32.4438 178.4790 169 A 4.1033 8.3034 120.9508 54.6083 18.3378 177.3689 170 G 3.7389 7.6529 106.7002 45.7679 0.0000 172.3248 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 4 L 8.04 4.54 0.00 1.77 1.59 1.00 0.47 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 5 V 8.92 4.61 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 1.01 0.00 0.00 0.89 0.00 0.00 6 I 8.71 4.80 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.49 0.86 0.00 0.00 7 N 8.87 4.80 0.00 2.86 2.67 0.00 0.00 6.68 7.74 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 8 G 8.62 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.87 3.86 4.21 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 1.24 0.00 0.00 10 P 0.00 4.55 0.00 2.29 2.20 0.00 3.94 0.00 0.00 3.84 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 11 R 7.71 4.38 0.00 1.74 1.68 0.00 3.13 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 1.64 1.68 0.00 12 K 8.84 4.03 0.00 1.82 1.94 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.49 7.81 13 H 7.84 4.99 0.00 3.22 3.36 0.00 5.70 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 14 G 7.66 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 0.00 0.00 0.00 0.00 15 R 8.40 3.96 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 16 T 7.86 3.90 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 1.17 0.00 0.00 17 R 7.67 4.20 0.00 1.85 2.11 0.00 3.26 0.00 0.00 3.44 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 18 I 7.78 3.69 2.06 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 1.60 0.71 0.94 0.00 0.00 19 A 7.77 4.01 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 20 A 8.13 3.94 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 21 S 8.17 4.09 0.00 4.12 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 22 Y 8.44 4.13 0.00 3.07 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.21 3.50 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.08 0.75 0.00 0.00 24 A 8.51 4.55 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 25 A 8.30 4.01 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 26 L 8.13 3.82 0.00 1.11 1.40 0.71 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.93 4.24 0.00 3.15 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 28 H 8.02 4.02 0.00 3.24 3.29 0.00 5.60 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 29 T 8.64 4.80 4.25 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 1.27 0.00 0.00 30 D 8.61 4.72 0.00 2.83 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 31 L 8.52 5.06 0.00 1.66 1.53 0.95 1.04 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 32 I 8.56 4.33 1.69 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 0.91 0.78 0.25 0.00 0.00 33 D 8.49 4.88 0.00 2.77 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 34 L 8.10 4.60 0.00 2.01 1.75 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.04 4.51 0.00 3.98 3.96 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 36 E 8.19 4.49 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 2.24 2.54 0.00 37 F 8.65 4.31 0.00 3.17 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 38 V 7.75 4.59 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 0.97 0.00 0.00 1.08 0.00 0.00 39 L 8.32 4.91 0.00 2.02 1.71 1.29 1.27 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 40 P 0.00 4.54 0.00 2.30 2.12 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.00 0.00 41 V 8.42 3.81 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 0.94 0.00 0.00 0.98 0.00 0.00 42 F 8.29 4.38 0.00 1.89 2.69 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 0.00 0.00 0.00 43 N 8.57 4.46 0.00 2.63 2.71 0.00 0.00 6.94 7.85 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 44 G 6.43 3.70 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 0.00 0.00 0.00 45 E 7.82 4.55 0.00 2.14 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 2.28 2.27 0.00 46 A 8.83 3.93 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 47 E 8.40 3.93 0.00 2.08 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 2.29 2.28 0.00 48 Q 8.30 4.05 0.00 2.16 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.06 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 49 S 7.93 4.53 0.00 4.09 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 50 E 7.98 4.73 0.00 1.87 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 2.21 2.31 0.00 51 L 7.62 4.63 0.00 1.69 1.03 0.98 0.95 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 52 L 8.54 4.37 0.00 1.56 1.45 0.87 0.84 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 53 K 7.64 3.57 0.00 1.58 1.48 0.00 1.28 0.00 0.00 1.48 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.54 0.21 7.81 54 V 7.70 3.49 1.91 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 0.87 0.00 0.00 0.37 0.00 0.00 55 Q 7.96 4.08 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 56 E 7.79 3.96 0.00 1.96 2.31 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 2.59 2.44 0.00 57 L 8.46 3.89 0.00 2.09 1.94 0.72 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.02 3.89 0.00 1.99 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.80 7.81 59 Q 8.09 3.95 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 60 R 8.44 3.92 0.00 1.77 2.11 0.00 3.34 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 61 V 7.42 3.49 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.83 0.00 0.00 62 T 7.51 3.92 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 1.24 0.00 0.00 63 K 7.57 4.20 0.00 1.90 1.93 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.56 7.81 64 A 7.01 4.18 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 65 D 8.76 4.50 0.00 2.70 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 66 A 7.67 5.03 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 67 I 8.66 4.70 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.13 1.02 0.00 0.00 68 V 9.06 4.12 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 0.87 0.00 0.00 0.85 0.00 0.00 69 L 8.34 4.71 0.00 1.76 1.47 0.91 0.77 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 70 L 8.48 5.73 0.00 1.79 1.47 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.23 4.81 0.00 3.74 3.52 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 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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 82 L 8.11 3.89 0.00 1.69 1.73 0.89 0.58 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 83 K 8.04 3.91 0.00 1.89 1.75 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.60 7.81 84 N 8.06 4.26 0.00 2.92 2.97 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 85 A 7.95 4.25 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 86 L 7.87 4.11 0.00 1.82 1.65 0.80 1.07 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 87 D 7.40 4.22 0.00 2.30 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 0.00 0.00 0.00 88 F 7.35 4.55 0.00 3.22 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 89 L 7.48 4.51 0.00 1.93 1.75 1.07 0.86 0.00 0.00 0.00 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0.00 0.00 1.45 1.40 7.81 133 Q 8.35 4.80 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 134 L 8.36 4.88 0.00 1.67 1.44 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.24 4.90 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 0.91 0.00 0.00 0.90 0.00 0.00 136 L 8.93 4.63 0.00 1.58 1.55 0.89 0.75 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 0.00 137 D 8.69 5.31 0.00 2.72 2.60 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 0.00 138 P 0.00 4.28 0.00 2.16 2.11 0.00 3.60 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 2.12 2.09 0.00 139 V 7.72 3.59 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 0.48 0.00 0.00 0.83 0.00 0.00 140 H 8.48 4.67 0.00 3.35 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.65 4.67 1.87 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 1.33 0.88 0.90 0.00 0.00 142 D 8.52 4.65 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.91 3.68 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 0.83 0.00 0.00 0.94 0.00 0.00 144 E 8.00 4.12 0.00 2.00 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 2.32 2.30 0.00 145 N 8.07 4.82 0.00 2.84 2.85 0.00 0.00 6.21 7.26 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 0.00 146 A 8.25 3.79 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 0.00 147 T 7.61 4.74 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 1.24 0.00 0.00 148 V 8.02 3.96 1.76 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 0.46 0.00 0.00 -0.42 0.00 0.00 149 A 8.67 4.02 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 0.00 150 E 9.20 3.84 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 151 N 8.21 4.34 0.00 2.88 2.98 0.00 0.00 5.78 7.81 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 0.00 152 I 7.88 4.28 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.24 0.90 0.00 0.00 153 K 7.96 3.92 0.00 1.91 2.02 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.53 7.81 154 E 8.13 3.96 0.00 2.10 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 2.39 2.63 0.00 155 S 8.01 4.14 0.00 3.98 3.87 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 0.00 156 I 7.87 3.69 2.02 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 1.53 0.75 0.99 0.00 0.00 157 K 8.35 4.33 0.00 2.14 2.08 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.17 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.71 1.46 7.81 158 E 8.18 4.09 0.00 2.28 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 0.00 2.63 2.33 0.00 159 L 7.63 3.88 0.00 1.76 1.86 0.88 0.88 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 0.00 160 V 7.67 3.44 1.78 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 0.44 0.00 0.00 0.52 0.00 0.00 161 E 8.26 3.99 0.00 2.30 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 2.38 2.39 0.00 162 E 8.31 4.18 0.00 2.15 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 0.00 2.58 2.51 0.00 163 L 8.10 4.15 0.00 1.87 1.82 0.90 0.81 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 0.00 164 S 8.21 4.07 0.00 4.15 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 *166 F 8.19 4.37 0.00 3.37 3.23 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 0.00 167 A 8.11 4.11 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 0.00 168 K 8.18 4.10 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.62 7.81 169 A 8.30 4.10 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.65 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 * Residues marked with a * may have inaccurate shift predictions.