NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2704 8.1693 120.6221 54.5389 43.1185 177.0725 3 D 4.4428 8.3046 123.7862 51.9256 41.6295 175.6161 4 Q 3.8738 8.6769 121.4613 59.4930 29.5121 179.4787 5 Q 3.6222 8.1175 119.9998 59.3530 28.9134 178.6028 6 T 3.7558 7.9728 116.8225 66.7445 68.5813 176.7434 7 I 3.5916 7.8446 121.7729 64.3888 37.0723 178.2967 8 N 4.3195 9.0559 118.4196 56.4259 38.4094 177.4835 9 I 3.7492 8.1144 121.5744 64.2637 37.1307 178.6271 10 I 3.2240 7.5665 120.5826 64.2837 36.7211 178.5484 11 K 3.9457 8.1562 117.9856 59.5586 31.9219 178.9518 12 A 4.2034 8.0194 120.3905 54.7498 18.6091 179.0376 13 T 4.3587 8.2545 107.7135 63.2218 69.5102 177.3822 14 V 3.8576 8.0717 122.8045 64.9015 31.3264 176.6370 15 P 4.4424 0.0000 0.0000 65.0351 30.9216 178.7944 16 V 3.6662 7.6291 116.0962 65.7938 31.8607 177.6463 17 L 4.0545 8.1656 119.1120 57.8070 41.4779 179.5311 18 K 3.9309 8.5737 118.7283 59.4735 31.6814 178.9096 19 E 3.9620 7.8470 118.5080 59.0109 29.7656 177.6181 20 H 4.8512 8.1069 114.7831 55.6437 29.2358 177.2419 21 G 3.9834 7.9174 110.9935 48.2554 0.0000 176.5412 22 V 3.7965 7.8830 121.5695 64.6736 31.1858 178.4720 23 T 3.9172 7.7785 115.6509 66.4526 68.4601 176.7474 24 I 3.6759 7.6946 121.6808 64.6494 37.1562 178.5259 25 T 3.9492 8.3815 117.1280 67.0101 68.3692 176.7961 26 T 4.0523 8.0942 111.5749 65.0748 68.8282 176.8900 27 T 3.8337 8.0532 118.6426 66.1613 68.4357 176.0997 28 F 3.9702 8.4133 122.8892 61.8705 39.3189 176.9097 29 Y 3.1649 7.8299 115.8545 60.3249 37.5853 178.4328 30 K 3.9081 8.0549 120.5892 59.7992 32.3061 178.7312 31 N 4.2725 8.1354 116.8058 55.8026 38.4770 177.1147 32 L 3.5904 7.5161 122.2056 58.3124 41.8110 179.2940 33 F 4.5176 7.3897 115.7762 60.1781 38.8482 177.5308 34 A 4.1472 7.8075 119.9648 55.1813 18.4153 179.6586 35 K 4.0506 8.0334 115.3021 58.2800 33.6399 177.3405 36 H 5.1769 7.8613 114.9063 51.6030 29.4075 172.4455 37 P 4.3595 0.0000 0.0000 65.2048 31.5411 178.0158 38 E 4.1396 8.3332 115.8713 58.6379 29.5046 178.4324 39 V 4.1740 8.1182 112.5652 61.9006 32.1204 177.8105 40 R 3.8161 7.9498 119.0689 59.2206 29.7578 176.8303 41 P 4.3334 0.0000 0.0000 65.5353 31.3391 178.3119 42 L 4.1263 8.1101 116.9804 58.0679 41.9769 178.1367 43 F 4.6286 8.4476 122.5023 57.3201 38.1231 177.0921 *51 L 4.2595 8.3885 124.3847 55.5511 43.3142 177.2759 52 E 4.2736 7.9702 117.9544 55.2421 27.9368 175.1132 53 Q 4.6107 7.8770 121.2556 52.8437 31.3493 174.2315 54 P 4.5424 0.0000 0.0000 62.9000 32.1382 176.3880 55 K 4.5319 8.2221 114.7781 55.2937 35.5150 177.6891 56 A 4.3766 8.1533 119.8751 53.1338 18.8133 178.3237 57 L 3.7597 8.2256 119.1838 58.5775 42.0247 178.8947 58 A 3.6678 7.5173 119.5376 55.4044 18.4143 179.4064 59 M 4.0833 7.9405 116.6308 58.6096 32.0769 178.9951 60 T 3.9380 7.9460 116.2554 66.5432 68.5271 176.9186 61 V 3.7134 7.8960 120.2694 65.9456 31.4893 178.1242 62 L 4.1401 7.9709 118.6706 57.7632 41.2380 179.3301 63 A 4.0315 8.0296 119.6627 55.1300 18.6338 179.2629 64 A 4.1286 8.4053 119.2043 55.1950 18.4739 179.7402 65 A 3.9717 8.3689 119.6449 55.3342 18.2528 179.5640 66 Q 4.0517 8.1680 117.3363 58.8788 29.3012 177.2355 67 N 4.8536 7.8426 116.1965 53.1106 38.9134 176.7979 68 I 3.8454 7.5362 123.8487 63.9425 38.0454 176.6710 69 E 4.2576 8.0014 117.1444 57.4196 30.5518 176.3391 70 N 5.0128 8.3594 117.8899 52.2473 39.8930 174.7547 71 L 4.0473 7.8392 121.8116 57.2477 42.7536 178.4037 72 P 4.1427 0.0000 0.0000 65.0046 31.4673 178.1994 73 A 4.0109 7.9508 121.0183 54.4261 18.4450 178.6434 74 I 4.3336 7.8779 108.7559 61.0067 37.7880 177.3302 75 L 3.8240 7.7017 123.4023 58.1019 41.1390 177.6569 76 P 4.0864 0.0000 0.0000 65.2448 31.2273 178.5894 77 A 4.0097 7.8301 119.1835 55.1978 18.5028 179.3357 78 V 3.3247 7.8212 116.9202 66.3052 30.8758 178.3196 79 K 3.8673 8.5529 118.3527 59.5144 31.8751 179.5051 80 K 4.0925 7.7742 117.3170 59.2238 31.9051 179.5276 81 I 3.7181 8.0373 120.1136 64.2680 36.9946 178.0266 82 A 4.3895 8.2291 123.1214 54.6493 18.1434 179.8915 83 V 3.4926 7.3681 115.4268 66.1574 31.6309 178.5191 84 K 4.0538 7.8611 117.8207 59.5657 31.8550 179.1664 85 H 4.2509 8.5996 117.0294 59.2170 28.7726 177.7086 86 C 4.1121 8.3842 120.2541 62.1075 27.5858 175.9443 87 Q 4.0475 8.0215 120.3885 58.7903 28.7202 177.4939 88 A 4.3270 7.8121 120.2629 52.6107 18.8543 178.0800 89 G 3.9923 7.5681 104.5805 45.4117 0.0000 173.8432 90 V 3.7021 7.7608 119.2456 62.4290 32.1024 175.2862 91 A 4.9887 8.7689 128.3893 49.7344 22.1883 176.5878 92 A 4.2356 8.8619 121.2078 55.5851 18.1235 180.0480 93 A 4.1998 7.9486 116.8763 54.7648 18.8551 178.9535 94 H 4.3776 8.3849 115.4406 58.7467 28.6053 177.1425 95 Y 4.2184 8.0866 118.4579 61.0096 37.7059 177.2548 96 P 4.4728 0.0000 0.0000 65.3614 31.5190 178.9055 97 I 3.6563 7.7008 118.5443 64.3402 37.0922 178.3621 98 V 3.7560 7.8875 119.2984 65.8409 31.2464 178.1759 99 G 2.6555 8.3111 105.8584 47.5314 0.0000 175.6321 100 Q 3.9479 8.1789 120.6629 58.8725 28.8995 178.8873 101 E 4.0196 8.0797 119.1879 58.7890 29.3724 179.2301 102 L 3.8975 8.1713 120.9692 58.1944 42.1791 178.8550 103 L 4.0076 8.0124 119.2527 57.7985 41.4634 179.8033 104 G 3.5824 8.1371 105.3397 47.6925 0.0000 175.5886 105 A 3.9451 7.8658 122.8944 55.0347 18.3603 179.7139 106 I 3.4170 7.7644 118.3812 64.1933 36.9129 178.6940 107 K 3.8717 8.0144 120.4163 59.5479 31.9018 178.7314 108 E 3.9294 7.9962 117.5262 59.5250 29.4703 179.3290 109 V 3.6213 7.6525 117.0837 65.8905 31.9014 177.8413 110 L 4.0593 8.4462 118.8886 54.7640 41.7379 178.5698 111 G 3.6881 8.3355 107.7278 46.6004 0.0000 176.7217 112 D 4.3843 8.8980 124.3310 55.8424 40.5874 176.5006 113 A 4.2502 7.8877 120.9537 53.0046 19.5382 178.3001 114 A 4.3943 7.7297 121.3995 51.3995 17.0838 178.7570 115 T 4.0290 7.6469 113.1835 62.2629 70.9897 174.2835 116 D 4.2554 8.6795 122.9896 57.8550 40.8866 178.8820 117 D 4.1000 8.1034 118.8314 57.2469 40.7290 178.8829 118 I 3.7913 7.6725 120.1165 64.4696 37.1990 178.3316 119 L 4.1401 8.7719 120.8554 58.1709 41.4570 179.4813 120 D 4.3977 9.1435 119.6824 57.2677 40.7032 178.7061 121 A 3.9844 8.3141 121.6622 54.8243 18.2315 179.7635 122 W 3.9292 8.5459 118.0629 59.5313 29.0541 178.9646 123 G 3.7495 8.4788 105.9601 47.9273 0.0000 175.9409 124 K 4.0418 8.1614 121.0924 58.9433 31.9670 179.4153 125 A 3.8850 8.1343 121.1724 55.2264 18.1858 179.0066 126 Y 4.0975 8.5094 118.4644 60.6377 38.7734 178.2626 127 G 3.9436 8.1888 106.6937 48.0809 0.0000 175.5419 128 V 3.4809 7.4141 119.8329 65.5818 31.8254 177.9237 129 I 3.8582 7.8281 119.2636 64.3165 36.9389 178.1977 130 A 3.8864 8.4147 122.7807 55.2562 18.0875 179.2098 131 D 4.2328 8.7426 118.0527 57.5334 40.8211 179.4997 132 V 3.4633 7.5001 118.1092 66.0020 31.4972 178.2141 133 F 3.9404 8.1252 117.0633 60.3822 38.8179 177.4042 134 I 3.5583 7.8030 119.8843 64.6204 36.9154 178.5490 135 Q 3.9703 7.9486 118.6442 58.8442 28.5282 178.8403 136 V 3.5513 7.7290 119.2889 66.1496 31.2341 178.0113 137 E 3.8496 8.6575 118.4790 59.0155 29.2196 179.1228 138 A 4.2746 8.2441 120.9969 55.4763 18.4275 179.3557 139 D 4.3487 8.2148 117.3072 57.6368 40.8840 179.1909 140 L 3.9804 8.0394 119.4639 57.8493 41.4329 179.0668 141 Y 4.3629 8.5686 116.9590 61.2019 37.8347 178.6272 142 A 4.0717 8.3809 121.6883 55.3367 18.2679 179.7376 143 Q 4.0001 8.2298 115.6614 58.9213 28.8105 178.5778 144 A 4.1536 7.9126 121.0075 54.1618 18.4157 177.7515 145 V 3.9582 7.6145 115.0016 61.5575 31.9209 175.6298 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 L 8.17 4.27 0.00 1.59 1.63 0.91 0.67 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 3 D 8.30 4.44 0.00 3.01 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 4 Q 8.68 3.87 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 5 Q 8.12 3.62 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 6 T 7.97 3.76 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 1.09 0.00 0.00 7 I 7.84 3.59 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.86 0.00 0.00 8 N 9.06 4.32 0.00 2.77 2.85 0.00 0.00 6.99 7.37 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 9 I 8.11 3.75 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.10 0.94 0.00 0.00 10 I 7.57 3.22 1.74 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.51 0.53 0.00 0.00 11 K 8.16 3.95 0.00 1.75 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.42 7.81 12 A 8.02 4.20 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 13 T 8.25 4.36 4.46 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 1.34 0.00 0.00 14 V 8.07 3.86 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 1.06 0.00 0.00 1.15 0.00 0.00 15 P 0.00 4.44 0.00 2.22 2.17 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 16 V 7.63 3.67 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 0.91 0.00 0.00 0.97 0.00 0.00 17 L 8.17 4.05 0.00 1.74 1.45 -0.31 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.57 3.93 0.00 1.75 1.88 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.65 7.81 19 E 7.85 3.96 0.00 2.11 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 2.20 2.29 0.00 20 H 8.11 4.85 0.00 3.29 3.25 0.00 5.71 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 21 G 7.92 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 0.00 0.00 0.00 22 V 7.88 3.80 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 0.88 0.00 0.00 0.95 0.00 0.00 23 T 7.78 3.92 4.42 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 1.21 0.00 0.00 24 I 7.69 3.68 1.92 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 1.41 0.78 0.77 0.00 0.00 25 T 8.38 3.95 4.52 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 1.47 0.00 0.00 26 T 8.09 4.05 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 1.30 0.00 0.00 27 T 8.05 3.83 4.46 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 1.18 0.00 0.00 28 F 8.41 3.97 0.00 2.92 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.83 3.16 0.00 3.05 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.05 3.91 0.00 1.96 1.93 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.48 7.81 31 N 8.14 4.27 0.00 2.63 2.86 0.00 0.00 6.73 6.67 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 32 L 7.52 3.59 0.00 0.49 0.63 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.39 4.52 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.81 4.15 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 35 K 8.03 4.05 0.00 1.64 1.58 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.45 7.81 36 H 7.86 5.18 0.00 3.30 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.36 0.00 2.17 2.12 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 38 E 8.33 4.14 0.00 2.21 2.26 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 2.45 2.41 0.00 39 V 8.12 4.17 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 0.92 0.00 0.00 1.22 0.00 0.00 40 R 7.95 3.82 0.00 1.98 1.86 0.00 3.08 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.77 0.00 41 P 0.00 4.33 0.00 2.05 2.14 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 42 L 8.11 4.13 0.00 1.68 1.51 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.45 4.63 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 L 8.39 4.26 0.00 1.65 1.76 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.97 4.27 0.00 1.95 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 2.30 2.32 0.00 53 Q 7.88 4.61 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 54 P 0.00 4.54 0.00 2.18 2.28 0.00 3.51 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.88 0.00 55 K 8.22 4.53 0.00 1.72 1.86 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.35 7.81 56 A 8.15 4.38 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 57 L 8.23 3.76 0.00 1.84 1.48 -0.33 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.52 3.67 1.04 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 59 M 7.94 4.08 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 60 T 7.95 3.94 4.42 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 1.33 0.00 0.00 61 V 7.90 3.71 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 1.06 0.00 0.00 62 L 7.97 4.14 0.00 1.95 1.75 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.03 4.03 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 64 A 8.41 4.13 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 65 A 8.37 3.97 1.62 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 66 Q 8.17 4.05 0.00 2.20 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.34 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 67 N 7.84 4.85 0.00 3.06 2.79 0.00 0.00 6.58 7.61 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 68 I 7.54 3.85 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.87 0.00 0.00 69 E 8.00 4.26 0.00 1.98 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 2.25 2.26 0.00 70 N 8.36 5.01 0.00 2.68 2.62 0.00 0.00 7.06 6.66 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 71 L 7.84 4.05 0.00 1.70 1.66 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.14 0.00 2.14 2.07 0.00 3.50 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 73 A 7.95 4.01 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 74 I 7.88 4.33 1.88 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 1.65 0.64 0.92 0.00 0.00 75 L 7.70 3.82 0.00 1.67 1.70 0.86 0.91 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 76 P 0.00 4.09 0.00 2.14 2.08 0.00 3.51 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 2.13 0.00 77 A 7.83 4.01 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 78 V 7.82 3.32 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 0.35 0.00 0.00 0.64 0.00 0.00 79 K 8.55 3.87 0.00 1.94 1.81 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.47 7.81 80 K 7.77 4.09 0.00 1.82 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.65 7.81 81 I 8.04 3.72 2.28 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 0.92 0.00 0.00 82 A 8.23 4.39 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 83 V 7.37 3.49 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 1.01 0.00 0.00 0.96 0.00 0.00 84 K 7.86 4.05 0.00 1.90 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.63 7.81 85 H 8.60 4.25 0.00 3.44 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.38 4.11 0.00 2.69 2.48 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 0.00 87 Q 8.02 4.05 0.00 2.12 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 88 A 7.81 4.33 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 89 G 7.57 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 90 V 7.76 3.70 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 0.67 0.00 0.00 0.76 0.00 0.00 91 A 8.77 4.99 1.21 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 0.00 0.00 92 A 8.86 4.24 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 93 A 7.95 4.20 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 94 H 8.38 4.38 0.00 3.27 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.09 4.22 0.00 3.31 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 96 P 0.00 4.47 0.00 2.23 2.19 0.00 3.87 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 97 I 7.70 3.66 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.12 0.52 0.00 0.00 98 V 7.89 3.76 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 1.12 0.00 0.00 0.98 0.00 0.00 99 G 8.31 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 0.00 0.00 0.00 100 Q 8.18 3.95 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 101 E 8.08 4.02 0.00 1.95 1.79 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 2.35 2.22 0.00 102 L 8.17 3.90 0.00 1.40 1.45 0.52 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.01 4.01 0.00 1.78 1.70 1.02 1.10 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 0.00 104 G 8.14 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.87 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.76 3.42 1.84 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.60 0.53 0.00 0.00 107 K 8.01 3.87 0.00 1.83 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 108 E 8.00 3.93 0.00 1.93 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 2.32 2.45 0.00 109 V 7.65 3.62 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 0.61 0.00 0.00 0.85 0.00 0.00 110 L 8.45 4.06 0.00 1.73 1.73 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.34 3.69 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 0.00 0.00 0.00 112 D 8.90 4.38 0.00 2.68 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 0.00 113 A 7.89 4.25 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 0.00 114 A 7.73 4.39 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 0.00 115 T 7.65 4.03 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 0.00 116 D 8.68 4.26 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.10 4.10 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.67 3.79 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.70 1.12 0.00 0.00 119 L 8.77 4.14 0.00 1.87 1.78 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 120 D 9.14 4.40 0.00 2.72 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 0.00 121 A 8.31 3.98 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 0.00 122 W 8.55 3.93 0.00 3.56 3.34 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 0.00 123 G 8.48 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 0.00 0.00 0.00 124 K 8.16 4.04 0.00 1.89 1.85 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.73 7.81 125 A 8.13 3.89 1.10 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 0.00 0.00 126 Y 8.51 4.10 0.00 3.28 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 0.00 127 G 8.19 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 0.00 128 V 7.41 3.48 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 0.82 0.00 0.00 0.94 0.00 0.00 129 I 7.83 3.86 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 1.09 0.00 0.00 130 A 8.41 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.74 4.23 0.00 2.75 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 0.00 132 V 7.50 3.46 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 0.78 0.00 0.00 0.89 0.00 0.00 133 F 8.13 3.94 0.00 3.17 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 0.00 134 I 7.80 3.56 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.36 0.86 0.00 0.00 135 Q 7.95 3.97 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 136 V 7.73 3.55 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 0.95 0.00 0.00 0.85 0.00 0.00 137 E 8.66 3.85 0.00 2.19 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 0.00 2.31 2.43 0.00 138 A 8.24 4.27 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 0.00 139 D 8.21 4.35 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.04 3.98 0.00 1.68 1.58 0.83 0.70 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 0.00 141 Y 8.57 4.36 0.00 3.28 2.82 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 0.00 142 A 8.38 4.07 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 0.00 143 Q 8.23 4.00 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 144 A 7.91 4.15 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 0.00 145 V 7.61 3.96 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 0.71 0.00 0.00 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.