NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2534 8.3149 122.0556 56.2557 33.2965 174.8065 9 L 4.8594 8.2926 125.8810 52.8699 44.4576 173.7358 10 Y 4.5552 8.5199 118.1016 56.7677 43.0349 175.2025 11 C 4.1888 8.2214 123.2978 58.2620 32.2928 173.8026 12 I 3.9874 8.5940 113.8488 63.8038 37.2685 177.0548 13 C 4.2604 8.2380 114.0291 58.6538 30.1152 173.3140 14 K 3.9467 7.5891 118.3320 57.6173 29.3192 173.6766 15 T 4.8289 8.1842 109.3808 58.6324 72.4546 173.0139 16 P 5.0021 0.0000 0.0000 62.3570 31.8904 175.9706 17 Y 3.9581 8.6646 121.5163 57.7934 39.3801 174.6945 18 D 4.5967 8.2223 125.8941 51.9018 42.4487 175.8516 19 E 3.6994 8.4907 128.0793 57.7918 29.6371 177.7436 20 S 4.4219 8.0191 111.4734 58.9336 63.8309 174.4968 21 K 4.3429 7.6654 120.6287 55.2933 33.2568 175.6249 22 F 4.7777 8.4951 123.6450 57.9522 40.4512 173.9959 23 Y 4.9722 8.3079 122.9250 56.0908 41.2271 174.7940 24 I 4.6021 9.1609 121.6152 59.2631 41.6000 174.1606 25 G 3.5606 8.3797 115.5116 44.5659 0.0000 172.3492 26 C 4.8421 8.8041 124.8834 58.3906 32.2655 174.4711 27 D 4.3787 9.1026 127.1042 57.0389 40.9225 178.3877 28 R 4.0337 8.0183 117.8271 58.9817 30.2473 177.2677 29 C 4.3436 7.9057 109.0091 57.6598 30.5651 173.9178 30 Q 3.5724 8.0922 118.1749 56.8266 26.3041 172.8282 31 N 4.9238 7.8060 114.9810 51.8768 41.4342 173.6659 32 W 5.3101 8.5178 119.4643 55.5312 32.1180 174.9155 33 Y 5.0801 9.3989 120.2763 56.3235 42.5620 174.4056 34 H 4.2520 8.8294 119.4981 55.5522 29.5442 176.6355 35 G 3.9368 8.7970 110.8662 48.2906 0.0000 175.7968 36 R 4.0000 8.0022 120.2409 59.4031 29.9740 178.2737 37 C 4.2408 8.0764 115.3540 62.4520 28.3712 175.4149 38 V 4.1146 7.7294 110.8418 60.6182 31.8626 175.9375 39 G 3.7397 7.8276 106.2902 46.9966 0.0000 174.2970 40 I 4.5600 8.2520 120.5950 58.7890 39.1911 176.2568 41 L 4.2335 8.4529 125.4275 54.7689 42.1658 177.2802 42 Q 4.1100 8.2636 117.3426 56.1805 28.6523 176.8903 43 S 4.5543 7.8453 115.2276 59.6103 64.7387 176.1512 44 E 4.0046 8.0310 118.9663 58.4449 29.4042 178.4034 45 A 4.0992 7.9475 120.3473 54.4534 18.6703 178.5518 46 E 4.1834 7.6127 115.4634 58.0265 29.7311 178.2713 47 L 4.2638 7.2956 120.3199 56.4194 42.8020 177.0863 48 I 3.9185 7.1570 110.0729 61.1725 37.9855 174.8848 49 D 4.8689 8.5053 118.9064 54.1384 42.5587 175.4182 50 E 4.9577 7.8508 117.8609 55.4489 32.5281 173.3171 51 Y 4.8508 9.2797 126.3581 55.7159 42.4867 174.0612 52 V 4.3673 7.1469 125.2528 60.6233 33.9742 175.0516 53 C 4.0310 7.9707 121.8230 56.4040 30.6089 172.6378 54 P 4.1343 0.0000 0.0000 65.9977 30.7708 178.9962 55 Q 3.9489 7.8225 116.0156 59.2597 28.6938 178.5137 56 C 4.1302 7.8484 117.2603 62.6809 28.1270 175.7680 57 Q 3.8412 8.4028 121.7332 59.1059 28.6176 178.1866 58 S 4.0389 8.2270 114.3476 61.6791 62.1809 176.3427 59 T 3.8728 7.6267 117.4253 66.7064 68.2712 176.2883 60 E 4.0940 8.1212 119.5341 59.4499 29.4994 178.8658 61 D 4.5170 8.1784 118.2593 56.9361 40.9420 178.8615 62 A 4.2036 7.7095 120.0380 52.5829 18.6487 178.5271 *64 T 4.3189 7.9190 113.2397 63.2145 70.8233 175.0424 65 V 4.0419 7.6171 112.7457 61.5828 32.0782 176.8205 66 L 4.5879 7.6282 118.6674 54.9795 43.4421 176.9856 67 T 4.2054 7.6664 107.9016 60.1734 69.6023 172.5154 68 P 4.5687 0.0000 0.0000 62.8262 31.9258 176.1816 69 L 4.4693 8.2777 122.3028 54.6224 42.4551 177.9299 70 T 4.5176 9.3655 115.1874 60.4794 72.0289 175.6243 71 E 4.0548 8.5335 119.2868 59.4658 29.3839 179.4056 72 K 4.3428 7.8913 120.6346 59.0157 32.3253 178.4260 73 D 4.1463 8.0195 119.2344 57.6851 40.6543 178.4901 74 Y 3.8447 8.2716 116.9740 60.8111 37.6585 178.3931 75 E 4.1965 8.1532 120.0399 59.1485 29.4302 179.4796 76 G 3.6446 7.8975 105.6084 47.5817 0.0000 175.9164 77 L 3.6546 8.0947 121.3809 57.4042 41.5406 179.7440 78 K 4.0772 8.0959 118.4080 59.3283 32.0299 179.3454 79 R 3.9354 7.9299 118.4734 59.4523 30.0733 178.6939 80 V 3.6830 8.1981 118.2723 66.0282 31.5749 177.4869 81 L 4.1410 8.4236 120.4143 58.5963 41.9635 179.2306 82 R 4.1960 8.3624 118.0874 59.2869 29.7489 179.2268 83 S 4.3282 8.0003 113.3597 61.3859 63.4489 176.3605 84 L 4.2655 8.2643 122.6913 57.8538 41.2342 179.4715 85 Q 4.1213 8.2991 116.6127 58.4178 28.7118 177.8586 86 A 4.3340 7.8208 119.6966 52.2434 19.4661 177.1644 87 H 4.0950 7.3455 117.3260 55.6946 30.3723 177.1840 88 K 4.1237 8.2306 125.4658 56.3844 31.0854 177.8525 *90 A 4.5775 8.0924 122.0289 51.1737 20.4719 179.2455 91 W 4.3828 8.5928 112.7897 58.9121 27.7830 175.3398 92 P 3.9853 0.0000 0.0000 63.0050 31.1085 176.1822 93 F 4.8755 7.7581 117.5746 57.2851 39.9307 177.1944 94 L 4.0493 8.0286 121.8270 57.0460 41.6469 176.8314 95 E 4.9144 7.6310 114.8803 53.3052 33.3589 173.5884 96 P 4.3186 0.0000 0.0000 62.3885 31.9652 176.7532 97 V 3.4399 7.8345 121.1408 62.4466 31.9411 175.3085 98 D 4.5037 8.5210 127.0941 53.3434 41.8947 174.5641 99 P 4.4179 0.0000 0.0000 66.1985 31.3358 178.1364 100 N 4.3673 8.9487 115.9165 56.6593 38.7024 176.6559 101 D 4.5906 7.9744 118.9647 56.3633 42.1767 176.7397 102 A 4.6236 7.4406 116.1860 50.6211 20.0664 174.4266 103 P 4.6484 0.0000 0.0000 64.6199 32.1148 178.8505 104 D 4.6395 8.2203 117.0352 56.1258 39.9497 177.5257 105 Y 3.4848 8.1383 121.6572 60.9693 38.5541 177.5667 106 Y 4.4212 7.6218 112.6094 58.9175 37.7115 176.7350 107 G 3.9700 8.1046 110.0810 46.3155 0.0000 175.5293 108 V 4.0146 7.6221 111.4568 62.3379 32.8670 175.9433 109 I 3.9019 7.3195 121.1999 59.9303 36.4233 175.9167 110 K 4.1608 8.4058 126.3034 58.5160 32.3493 177.5942 111 E 4.5582 7.5471 117.3403 52.9387 29.6199 172.9599 112 P 4.3021 0.0000 0.0000 62.3459 32.6758 175.7390 *114 D 4.3828 8.1591 117.0932 52.8067 40.2130 176.4924 115 L 3.9900 8.6084 119.4336 57.5939 42.0006 179.1096 116 A 4.1582 8.1611 121.5506 55.5504 18.5894 180.1097 117 T 3.8197 7.6293 109.7125 64.1341 68.0512 176.1031 *119 E 4.3286 8.3311 124.3248 56.3277 31.4896 177.4018 120 E 3.9807 8.2504 118.9612 59.3373 29.5407 178.9367 121 R 3.7771 8.1034 118.2056 59.1516 30.0153 179.2732 122 V 4.0675 7.9508 117.6040 66.2543 31.5075 177.7095 123 Q 4.1041 8.2037 118.1956 58.9707 28.9927 177.5536 124 R 4.2605 8.2098 116.3995 55.2875 30.6240 176.3089 125 R 4.0456 7.9122 116.2996 56.4651 28.1558 177.2735 126 Y 4.0845 8.4579 120.9959 60.5352 39.1329 175.8306 127 Y 4.7620 7.9877 116.7216 57.9141 39.0044 174.9397 128 E 4.7906 10.5381 123.1636 56.1995 32.1381 176.1392 129 K 5.0593 7.9643 117.1314 53.3299 36.3420 176.8660 130 L 3.8735 8.6402 123.3935 58.5868 41.7950 179.3453 131 T 3.8609 7.9911 113.1357 65.1227 67.2870 175.9404 132 E 4.0565 8.2870 120.7395 59.1508 29.2579 179.1020 133 F 3.1650 7.8297 119.4927 60.9886 39.6083 177.0054 134 V 3.8317 7.8809 116.4970 65.8579 31.6287 177.4966 135 A 4.1556 8.2416 120.8927 55.0502 18.0730 179.6833 136 D 4.1285 7.5497 113.6656 55.5248 40.5352 178.4908 *138 T 4.2139 7.8890 118.9223 63.4666 70.6942 176.2933 139 K 3.8189 7.5845 121.8394 59.3094 32.0647 178.8936 140 I 3.4075 6.9106 119.7329 64.3560 36.9653 178.5087 141 F 4.1802 6.9138 117.9085 60.6377 38.9530 177.4470 142 D 4.3913 8.4682 119.0151 57.3213 40.4829 178.6152 143 N 4.3511 8.3869 117.3728 56.2749 38.4492 176.9847 144 C 4.2665 7.9369 119.6178 62.8322 31.5722 176.0090 145 R 3.7135 7.8167 117.7866 58.8220 29.5388 178.0651 146 Y 4.2502 7.6652 118.6930 60.5619 38.9879 176.4180 147 Y 4.1549 8.4126 119.7479 58.7772 39.2456 175.0782 148 N 4.9228 7.7755 116.1691 50.3212 41.2106 172.8175 149 P 4.4153 0.0000 0.0000 62.3182 32.1185 177.6182 150 S 2.7900 8.2483 115.2247 59.6897 62.7121 174.4794 151 D 4.5683 7.6104 119.3840 53.8065 40.4822 177.3527 152 S 4.5143 7.9921 116.5777 57.4426 65.4508 173.3317 153 P 4.3324 0.0000 0.0000 65.5851 31.1456 179.0939 154 F 4.1434 8.0432 116.4208 60.7862 39.0589 176.7776 155 Y 4.1147 8.0437 118.8502 60.9320 38.5245 178.1878 156 Q 4.2076 8.3152 118.8037 59.1617 28.7379 178.3129 157 C 4.1545 8.8035 118.0433 62.8771 28.1601 176.1113 158 A 3.8593 8.1336 121.7972 54.9863 18.0752 179.4539 159 E 3.7336 7.8823 116.7453 59.4988 29.6051 179.7680 160 V 3.5775 7.9006 118.1284 66.1311 31.6680 178.0097 161 L 3.8588 7.9348 118.8491 57.7537 41.3240 179.2267 162 E 3.4447 7.4461 119.1956 58.8453 29.2656 178.8228 163 S 4.0427 7.8256 112.9578 61.2169 62.4915 175.9276 164 F 4.0899 8.3998 123.4065 61.1801 39.1795 176.7941 165 F 4.3627 8.9404 120.7258 61.4372 39.0216 177.0173 166 V 3.3220 7.8252 116.6559 66.1636 31.5716 177.4404 167 Q 3.9773 7.7240 119.0061 59.1074 28.6510 178.3334 168 K 3.8583 7.5106 118.4770 59.1581 32.2975 178.8914 169 L 4.0068 7.6012 118.7283 55.3647 41.4680 177.2799 170 K 4.0145 7.0407 118.8207 57.7272 32.2374 176.8432 171 G 3.8809 8.8944 111.1434 46.4080 0.0000 174.4232 172 F 4.2206 8.1185 122.2867 60.1489 39.5376 175.3400 173 K 3.9495 7.8145 122.6003 56.8103 32.5379 175.7127 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 8 K 8.31 4.25 0.00 1.72 1.79 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.57 1.17 7.81 9 L 8.29 4.86 0.00 1.68 1.48 0.93 0.50 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 10 Y 8.52 4.56 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.22 4.19 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.59 3.99 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.82 1.12 0.00 0.00 13 C 8.24 4.26 0.00 3.17 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 14 K 7.59 3.95 0.00 1.92 1.88 0.00 1.67 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 1.53 7.81 15 T 8.18 4.83 4.33 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 1.31 0.00 0.00 16 P 0.00 5.00 0.00 2.13 2.12 0.00 3.76 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 2.08 2.14 0.00 17 Y 8.66 3.96 0.00 2.39 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 18 D 8.22 4.60 0.00 2.61 2.44 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 19 E 8.49 3.70 0.00 1.82 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 2.29 2.32 0.00 20 S 8.02 4.42 0.00 4.00 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 21 K 7.67 4.34 0.00 1.66 1.55 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.34 7.81 22 F 8.50 4.78 0.00 3.13 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 23 Y 8.31 4.97 0.00 2.68 3.02 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 24 I 9.16 4.60 1.55 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.59 0.61 0.00 0.00 25 G 8.38 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.80 4.84 0.00 3.14 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 9.10 4.38 0.00 2.62 2.68 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 28 R 8.02 4.03 0.00 1.74 1.93 0.00 3.31 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 29 C 7.91 4.34 0.00 3.10 3.06 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 30 Q 8.09 3.57 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 31 N 7.81 4.92 0.00 2.70 2.48 0.00 0.00 6.89 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 32 W 8.52 5.31 0.00 3.33 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 33 Y 9.40 5.08 0.00 2.97 2.90 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 34 H 8.83 4.25 0.00 3.07 3.07 0.00 5.66 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 35 G 8.80 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 36 R 8.00 4.00 0.00 1.91 1.94 0.00 3.18 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 37 C 8.08 4.24 0.00 3.25 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 38 V 7.73 4.11 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 0.74 0.00 0.00 1.06 0.00 0.00 39 G 7.83 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 40 I 8.25 4.56 1.85 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 1.37 0.91 0.91 0.00 0.00 41 L 8.45 4.23 0.00 1.68 1.55 0.91 0.85 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 42 Q 8.26 4.11 0.00 1.75 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 43 S 7.85 4.55 0.00 3.88 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 44 E 8.03 4.00 0.00 2.24 2.25 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 2.45 2.39 0.00 45 A 7.95 4.10 1.51 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 0.00 0.00 46 E 7.61 4.18 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 2.31 2.37 0.00 47 L 7.30 4.26 0.00 1.62 1.85 0.93 1.05 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 48 I 7.16 3.92 2.07 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 1.61 0.78 1.01 0.00 0.00 49 D 8.51 4.87 0.00 2.63 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 50 E 7.85 4.96 0.00 1.97 1.74 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 2.17 2.43 0.00 51 Y 9.28 4.85 0.00 3.09 2.92 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 52 V 7.15 4.37 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 0.71 0.00 0.00 0.78 0.00 0.00 53 C 7.97 4.03 0.00 2.27 2.47 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 54 P 0.00 4.13 0.00 2.10 2.11 0.00 3.27 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 2.07 2.15 0.00 55 Q 7.82 3.95 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 56 C 7.85 4.13 0.00 2.94 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 57 Q 8.40 3.84 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 58 S 8.23 4.04 0.00 3.97 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 59 T 7.63 3.87 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 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1.94 1.80 0.90 0.67 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 70 T 9.37 4.52 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 1.26 0.00 0.00 71 E 8.53 4.05 0.00 2.02 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 0.00 2.41 2.31 0.00 72 K 7.89 4.34 0.00 1.76 1.74 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.27 7.81 73 D 8.02 4.15 0.00 3.08 2.77 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 74 Y 8.27 3.84 0.00 3.25 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 75 E 8.15 4.20 0.00 2.11 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 2.38 2.69 0.00 76 G 7.90 3.64 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 0.00 0.00 0.00 77 L 8.09 3.65 0.00 1.61 1.30 0.06 -0.61 0.00 0.00 0.00 0.00 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0.00 2.45 2.61 0.00 86 A 7.82 4.33 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 87 H 7.35 4.09 0.00 3.11 3.20 0.00 5.77 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 88 K 8.23 4.12 0.00 1.76 1.87 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.41 7.81 *90 A 8.09 4.58 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.59 4.38 0.00 3.55 3.26 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 92 P 0.00 3.99 0.00 1.21 0.82 0.00 2.77 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.73 0.00 93 F 7.76 4.88 0.00 3.01 2.90 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 94 L 8.03 4.05 0.00 1.67 1.77 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.63 4.91 0.00 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0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.37 7.81 140 I 6.91 3.41 0.83 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.19 0.00 0.00 141 F 6.91 4.18 0.00 2.91 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 0.00 142 D 8.47 4.39 0.00 2.65 2.68 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 0.00 143 N 8.39 4.35 0.00 2.75 2.86 0.00 0.00 6.63 8.53 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 0.00 144 C 7.94 4.27 0.00 3.33 3.17 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 0.00 145 R 7.82 3.71 0.00 1.73 1.79 0.00 2.82 0.00 0.00 2.90 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.37 0.00 146 Y 7.67 4.25 0.00 3.09 3.19 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 0.00 147 Y 8.41 4.15 0.00 2.93 3.04 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 0.00 148 N 7.78 4.92 0.00 3.01 2.87 0.00 0.00 7.06 8.24 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 0.00 149 P 0.00 4.42 0.00 2.33 2.10 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 150 S 8.25 2.79 0.00 3.24 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 0.00 151 D 7.61 4.57 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 7.99 4.51 0.00 4.24 4.12 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 0.00 153 P 0.00 4.33 0.00 2.01 2.13 0.00 3.58 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 2.06 2.17 0.00 154 F 8.04 4.14 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 0.00 155 Y 8.04 4.11 0.00 3.20 3.14 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 0.00 156 Q 8.32 4.21 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.55 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 157 C 8.80 4.15 0.00 3.21 3.13 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 0.00 158 A 8.13 3.86 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 0.00 159 E 7.88 3.73 0.00 2.25 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 2.58 2.67 0.00 160 V 7.90 3.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.05 0.00 0.00 161 L 7.93 3.86 0.00 1.58 1.62 1.23 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.45 3.44 0.00 1.16 1.49 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 2.20 2.29 0.00 163 S 7.83 4.04 0.00 4.04 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 0.00 164 F 8.40 4.09 0.00 3.24 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 0.00 165 F 8.94 4.36 0.00 3.35 3.35 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 0.00 166 V 7.83 3.32 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 0.79 0.00 0.00 1.05 0.00 0.00 167 Q 7.72 3.98 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 168 K 7.51 3.86 0.00 1.80 1.78 0.00 1.75 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.81 1.41 7.81 169 L 7.60 4.01 0.00 1.49 1.44 0.39 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 170 K 7.04 4.01 0.00 1.88 1.72 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.39 7.81 171 G 8.89 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 0.00 172 F 8.12 4.22 0.00 3.03 3.06 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 0.00 173 K 7.81 3.95 0.00 1.74 1.51 0.00 1.88 0.00 0.00 2.07 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.