NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.8098 8.4293 117.8436 55.8219 30.1265 171.5148 *4 S 4.2862 8.2004 114.1954 58.4804 64.0780 174.1059 5 R 3.9728 8.4436 119.8472 59.6190 30.1906 177.6202 6 N 4.2004 8.4690 115.6345 57.0373 38.6304 176.1348 7 L 4.0456 7.7804 121.3243 58.2145 42.0841 178.9256 8 L 4.0219 8.1067 118.7599 57.8061 41.3304 179.3716 9 A 4.0721 7.9034 119.1475 54.7860 18.4420 179.1701 10 I 3.9267 7.2838 118.1021 63.8370 37.5370 177.7532 11 V 3.9828 7.8314 117.4270 63.5707 31.5597 176.9110 12 H 3.9603 7.9160 118.2168 59.9103 29.5826 174.8758 13 P 4.3988 0.0000 0.0000 65.5547 30.9954 178.6421 14 I 3.6622 7.9349 118.9292 64.4797 36.8649 178.4320 15 L 3.9240 7.7205 117.7390 57.7057 41.5352 179.3467 16 R 4.0060 8.2303 117.4286 59.4383 30.2631 178.5863 17 N 4.7770 8.4319 117.9564 55.4114 38.3208 177.5366 18 L 4.2242 7.8805 120.1778 55.3911 41.7637 178.5350 *20 E 4.2033 8.1443 117.8792 56.0003 30.8019 177.4526 21 E 3.8637 7.7271 117.0755 59.6255 29.8857 178.7293 22 S 3.7928 7.8088 116.0499 59.5406 63.2175 175.7310 23 G 3.9083 7.6089 107.5466 45.7671 0.0000 172.2731 24 E 4.8871 7.6110 117.7142 53.9364 34.3850 175.1857 25 T 4.3439 8.0881 117.3704 63.8210 69.6876 173.9690 26 V 4.6756 8.8486 126.6460 61.5734 33.8191 174.1507 27 N 5.4759 8.8661 125.2568 51.0988 42.6124 172.9429 *29 A 5.1327 8.3690 121.1754 53.3555 20.6336 176.6924 30 V 4.6616 8.1606 112.5482 59.4326 35.4270 174.4611 31 L 4.0933 8.5532 126.5906 53.5765 42.8182 175.5905 32 D 4.5093 8.4492 127.4619 53.5599 41.2822 177.1241 33 Q 3.9542 8.7749 126.1906 58.7767 29.1916 178.4547 34 S 4.2094 8.1588 113.2494 61.3006 63.1677 174.7837 35 D 4.6098 8.0597 116.0682 53.6626 41.0943 176.8418 36 H 4.1234 7.6112 114.0361 56.2498 26.4662 173.3089 37 E 4.8674 7.4211 117.2549 54.7509 33.9274 174.8804 38 A 5.1398 8.2511 122.8562 50.6671 21.5178 176.0250 39 I 4.9415 8.4024 122.3811 59.3227 40.8692 175.0319 40 I 4.3432 8.6342 128.5874 61.1334 37.7150 176.6166 41 I 4.4377 8.4264 118.3785 60.4933 39.1709 174.3138 42 D 4.6403 7.4673 119.2816 53.7810 43.9720 173.0049 43 Q 4.8171 8.0297 121.1052 55.1674 32.2337 173.3084 44 V 4.3358 8.8402 126.3113 61.2235 34.0384 174.5709 45 Q 4.6922 8.6843 127.2659 55.3151 30.0155 176.0251 46 C 4.4360 8.3876 117.9479 57.9218 31.1384 173.4312 47 T 4.3416 8.0160 107.6738 61.7147 68.9371 174.7576 48 H 4.3191 7.8195 119.9149 56.0583 29.1533 176.8548 49 L 4.2416 8.4120 122.6821 54.9458 42.2358 178.3392 *51 R 4.1119 7.9306 118.3997 55.9692 30.0492 178.3401 *53 S 4.1145 9.0368 115.4219 57.9681 62.1748 171.5891 54 A 4.6308 8.6100 130.7123 49.7148 20.6614 174.6494 55 P 4.5560 0.0000 0.0000 61.7142 32.5293 176.0248 56 I 3.8832 8.1289 123.0681 62.8698 37.4174 176.5137 57 G 3.9765 9.1718 114.7474 44.7905 0.0000 174.0259 58 G 3.7963 8.2007 107.9085 46.3203 0.0000 173.6792 59 K 5.0838 8.4629 121.5598 55.1356 34.0153 175.8274 60 L 4.8228 8.4180 120.1796 52.4494 45.7363 176.7461 61 P 4.6555 0.0000 0.0000 62.6562 31.9458 176.4982 *63 H 4.6862 8.7096 110.2246 55.2035 30.5278 173.4221 64 A 4.7987 7.4398 122.0574 50.4556 19.4063 175.9272 65 S 4.7181 7.5821 114.6578 56.4867 67.5351 173.8675 66 G 3.6306 8.6943 109.5122 48.2222 0.0000 175.7031 67 A 3.7559 7.9227 123.3265 54.2029 18.4556 179.5078 68 G 3.8001 8.0000 105.3927 47.6068 0.0000 176.1136 69 K 4.2120 8.8071 121.7286 58.4868 31.7655 179.4675 70 A 3.9166 7.7864 120.8426 55.1474 18.5164 179.4612 71 F 4.4393 8.2814 116.6644 60.7378 38.2536 177.5669 72 L 3.9375 8.7162 120.0275 58.2845 41.5544 178.0701 73 A 4.3603 7.8302 117.9247 52.4023 18.6260 177.4842 74 Q 4.5973 8.5166 118.6496 57.1377 31.2843 178.4103 75 L 4.4743 7.1623 120.4646 54.2426 41.7329 176.0857 76 S 4.7654 8.2603 116.8424 56.7697 67.6416 174.0202 77 E 3.8415 8.8065 120.1720 60.1908 29.0033 178.9585 78 E 3.9465 8.2535 117.8132 59.9512 29.5235 178.7970 79 Q 3.9474 8.1677 116.9309 59.3345 28.7418 179.8959 80 V 3.5639 7.8503 118.7340 66.2650 31.6089 178.0193 81 T 3.7302 8.3810 116.0985 66.5197 68.2183 176.1718 82 K 3.8570 8.3603 121.6218 59.7683 32.1527 178.7741 83 L 3.9905 7.6323 119.1960 57.6054 40.9883 179.0894 84 L 3.8585 8.4316 120.9095 58.2841 41.7388 178.2220 85 H 4.7897 7.8653 113.2234 56.8490 29.4349 176.3913 86 R 4.0186 8.4275 120.9702 57.7183 29.5426 177.8142 87 K 4.0006 8.2129 122.5407 60.4751 33.3473 175.9071 88 G 3.8745 7.6995 101.7876 43.9020 0.0000 172.9991 89 L 4.3724 7.8531 112.5002 52.8937 42.3210 175.7406 90 H 3.7595 7.9865 118.4083 56.1927 30.7579 174.4161 91 A 4.4478 7.7231 128.8209 50.8244 18.9713 176.4055 92 Y 4.3213 8.4649 120.7892 61.2670 38.6408 176.4018 93 T 4.8258 8.5025 108.5690 59.4607 72.0417 174.3642 94 H 4.3416 8.8651 117.1959 58.3819 28.3865 176.2549 95 A 4.1600 7.3761 121.2920 53.3875 18.6354 177.7657 96 T 3.9391 7.9256 114.2459 63.2070 68.8779 174.4630 97 L 4.2630 8.4759 126.4507 54.6971 41.0236 176.9547 98 V 4.0697 8.2896 116.2321 61.0816 32.4029 176.6069 99 S 4.5277 7.6736 115.7957 56.2742 63.1810 171.9834 100 P 4.1557 0.0000 0.0000 66.3323 31.1517 178.0473 101 V 3.5617 7.7445 116.4391 66.0308 31.3729 177.3187 102 H 4.2008 8.0602 115.2454 58.9295 28.7956 177.2647 103 L 3.9421 8.1011 122.0118 58.5221 41.7838 179.0643 104 K 3.9046 8.0726 118.0103 59.5960 31.8904 178.9283 105 E 3.9096 8.0598 119.1141 59.2536 29.6266 178.3419 106 D 4.3068 8.3587 118.2966 57.4230 41.3788 178.0372 107 L 4.0346 8.5991 119.5594 57.8745 41.6090 179.5130 108 A 3.9985 8.2633 120.9121 55.3364 18.2933 179.7899 109 Q 3.9715 8.3959 116.8721 59.0275 28.6939 179.1455 110 T 3.6900 8.3118 117.3338 66.6146 68.3079 176.7428 111 R 3.8830 7.5688 118.2446 59.1051 30.1982 178.5213 112 K 3.9889 7.7871 118.1868 59.6494 32.2740 178.4766 113 R 4.1304 7.9003 114.0905 57.0655 29.7882 177.2658 114 G 4.0952 8.9010 108.4058 44.5759 0.0000 172.7814 115 Y 5.1200 6.9747 116.4057 55.0748 40.7964 175.7194 116 S 4.6884 9.4432 116.9377 57.8140 65.7468 173.0297 117 F 5.3437 8.5175 122.4646 57.3237 41.9754 173.4246 118 D 4.4803 9.5878 128.3296 53.0957 41.6674 174.1326 119 D 4.4249 8.1280 127.2295 52.6308 39.9515 175.3973 120 E 4.0616 8.5655 125.0183 56.9988 27.8631 175.9260 121 E 4.2301 8.8722 119.8846 58.0488 30.3019 177.4244 122 H 4.4567 8.2991 116.9598 57.5986 31.0353 174.8067 123 A 4.6783 7.3460 119.5449 50.3251 21.9015 175.2880 124 L 4.2484 8.3522 121.3457 56.1440 42.3889 178.2613 125 G 3.9102 9.9995 110.3614 45.4421 0.0000 172.3137 126 L 5.1848 7.6630 122.1611 53.1661 44.5461 175.2839 127 R 5.3400 9.2999 124.7430 54.7002 34.0171 174.2325 128 C 5.4049 9.1537 121.7878 57.9347 35.7321 172.5119 129 L 6.0501 9.2415 124.3920 52.2063 44.9689 175.3840 130 A 5.2338 8.6138 122.1271 50.5101 23.1390 174.8465 131 A 5.0048 8.5543 121.4963 50.0826 22.8117 175.7903 132 C 4.4885 8.5283 117.0836 59.5075 29.2147 173.1399 133 I 4.4380 8.0614 120.6456 59.5462 40.0775 175.0932 134 F 5.8257 9.2119 124.9436 54.8048 41.9567 176.1947 135 D 5.1405 8.5217 122.8365 52.9611 41.1988 176.4483 136 E 4.3948 8.9316 116.9478 58.1531 29.7619 176.3937 137 H 4.7409 8.7494 115.7303 54.8657 30.1377 174.4098 138 R 3.8719 7.6425 116.3548 57.4822 27.8515 175.4229 139 E 4.9570 8.0081 117.4595 53.5391 33.3900 174.0748 140 P 4.8021 0.0000 0.0000 62.7205 31.9361 175.8133 141 F 4.9551 9.0277 115.3720 55.9065 40.5205 173.9391 142 A 5.1847 7.2271 119.4338 50.3717 23.0920 174.4448 143 A 4.5973 8.6636 119.2681 50.9692 22.5004 176.0526 144 I 4.6408 8.2460 122.8393 59.8111 40.7478 174.4094 145 S 5.0767 8.5308 119.9538 57.3966 67.0378 172.7448 146 I 4.9270 8.5312 121.1846 59.7119 40.3424 175.0205 147 S 5.1980 8.9378 121.9535 57.1196 67.3821 173.4721 148 G 4.3592 9.1960 110.1893 45.5965 0.0000 170.4846 149 P 5.1673 0.0000 0.0000 62.3633 31.9798 177.7421 150 I 3.8902 8.6337 116.1668 63.6831 37.9102 178.2546 151 S 4.2213 8.3546 116.6268 60.2474 63.0907 174.9192 152 R 4.4401 8.0194 119.0287 56.9410 32.1072 176.6708 153 I 3.9449 6.8295 117.0942 59.8968 35.7054 175.3089 154 T 4.1633 7.4344 113.7623 60.7629 70.4597 176.4299 155 D 4.1294 8.7214 123.3966 57.8565 40.9908 178.2811 156 D 4.6040 7.8964 115.4448 53.4033 39.5339 176.6768 157 R 4.2864 8.3984 118.2308 55.5117 31.6272 177.4068 158 V 3.1777 6.9372 117.6735 66.3425 31.2776 177.7879 159 T 3.5311 7.5601 108.6603 64.6015 68.2803 175.6549 160 E 3.8588 7.8651 120.7749 59.3056 29.8006 178.4329 161 F 4.5642 8.2807 117.0520 60.3888 38.8501 177.6955 162 G 2.7797 8.7720 106.0784 47.0179 0.0000 174.9007 163 A 4.0106 7.8348 122.6064 52.5040 18.9417 179.6851 *165 V 3.9820 7.8659 116.4512 63.0536 34.1647 178.5946 166 I 3.7244 7.4491 120.3211 64.1668 36.9446 177.9274 167 K 3.8201 8.0688 120.1211 59.6003 31.8811 178.1827 168 A 3.9290 8.0674 120.0269 55.4100 18.1559 179.1479 169 A 3.9138 8.0313 118.8826 55.2796 18.4058 180.0984 170 K 3.9898 8.1545 116.7637 59.7174 32.4605 179.3118 171 E 4.2305 8.7082 118.2341 58.1083 29.1667 178.9781 172 V 3.9803 7.3463 118.7720 65.5560 32.0164 177.6580 173 T 4.0353 8.0338 114.3022 67.1794 68.5587 176.0231 174 L 4.1579 8.7246 121.2150 57.3896 41.4865 178.9782 175 A 4.2367 7.7745 120.5194 55.8347 18.4172 178.8315 176 Y 4.4333 8.4884 117.6895 60.6178 38.8776 177.7902 177 G 3.8223 8.5262 106.9029 47.6784 0.0000 173.5666 178 G 3.7500 7.8849 114.2181 44.9985 0.0000 173.2864 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 H 8.43 4.81 0.00 3.17 3.41 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 S 8.20 4.29 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.44 3.97 0.00 1.92 1.97 0.00 3.26 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 6 N 8.47 4.20 0.00 2.84 2.86 0.00 0.00 6.71 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 7 L 7.78 4.05 0.00 1.91 1.95 1.14 0.90 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 8 L 8.11 4.02 0.00 1.92 1.72 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.90 4.07 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 10 I 7.28 3.93 2.07 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 1.70 0.88 0.95 0.00 0.00 11 V 7.83 3.98 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 1.10 0.00 0.00 1.02 0.00 0.00 12 H 7.92 3.96 0.00 3.48 3.33 0.00 5.85 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 13 P 0.00 4.40 0.00 2.20 2.10 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 14 I 7.93 3.66 1.97 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 1.63 0.86 0.89 0.00 0.00 15 L 7.72 3.92 0.00 1.59 1.62 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.23 4.01 0.00 1.83 1.96 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 17 N 8.43 4.78 0.00 2.91 2.83 0.00 0.00 6.20 6.28 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 18 L 7.88 4.22 0.00 1.73 1.67 0.78 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.14 4.20 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.59 0.00 21 E 7.73 3.86 0.00 1.93 1.86 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 2.32 2.32 0.00 22 S 7.81 3.79 0.00 2.76 3.33 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 23 G 7.61 3.91 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 0.00 0.00 0.00 24 E 7.61 4.89 0.00 1.74 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 0.00 2.45 2.57 0.00 25 T 8.09 4.34 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 1.22 0.00 0.00 26 V 8.85 4.68 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 0.96 0.00 0.00 0.83 0.00 0.00 27 N 8.87 5.48 0.00 2.68 2.61 0.00 0.00 6.73 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 A 8.37 5.13 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 30 V 8.16 4.66 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.90 0.00 0.00 31 L 8.55 4.09 0.00 0.27 1.15 0.62 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.45 4.51 0.00 2.74 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 33 Q 8.77 3.95 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 34 S 8.16 4.21 0.00 3.94 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 35 D 8.06 4.61 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 36 H 7.61 4.12 0.00 3.20 3.26 0.00 5.64 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 37 E 7.42 4.87 0.00 2.00 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 0.00 2.24 2.30 0.00 38 A 8.25 5.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.40 4.94 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 1.22 0.57 0.96 0.00 0.00 40 I 8.63 4.34 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 1.28 0.71 0.93 0.00 0.00 41 I 8.43 4.44 1.86 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 1.28 0.65 0.95 0.00 0.00 42 D 7.47 4.64 0.00 2.66 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 43 Q 8.03 4.82 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.56 0.00 0.00 0.00 0.00 0.00 2.20 2.44 0.00 44 V 8.84 4.34 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 0.92 0.00 0.00 0.78 0.00 0.00 45 Q 8.68 4.69 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 46 C 8.39 4.44 0.00 3.10 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 47 T 8.02 4.34 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 48 H 7.82 4.32 0.00 3.19 3.28 0.00 5.71 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 49 L 8.41 4.24 0.00 1.65 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *51 R 7.93 4.11 0.00 1.96 1.34 0.00 3.10 0.00 0.00 3.37 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 *53 S 9.04 4.11 0.00 3.87 3.90 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 54 A 8.61 4.63 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 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1.00 0.00 0.00 81 T 8.38 3.73 4.35 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 1.21 0.00 0.00 82 K 8.36 3.86 0.00 1.80 1.97 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.51 7.81 83 L 7.63 3.99 0.00 1.78 1.71 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.43 3.86 0.00 1.69 1.71 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.87 4.79 0.00 3.18 3.31 0.00 5.72 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 86 R 8.43 4.02 0.00 1.81 1.80 0.00 3.35 0.00 0.00 3.24 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 87 K 8.21 4.00 0.00 1.74 1.91 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.32 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.54 7.81 88 G 7.70 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 0.00 0.00 0.00 89 L 7.85 4.37 0.00 1.50 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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 0.00 123 A 7.35 4.68 1.14 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 0.00 0.00 124 L 8.35 4.25 0.00 1.66 1.63 0.95 0.95 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 0.00 125 G 10.00 3.91 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 0.00 0.00 0.00 126 L 7.66 5.18 0.00 1.77 1.63 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 127 R 9.30 5.34 0.00 1.82 2.00 0.00 3.29 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 128 C 9.15 5.40 0.00 2.97 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 9.24 6.05 0.00 1.73 1.57 1.17 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.61 5.23 1.14 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 0.00 0.00 131 A 8.55 5.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 C 8.53 4.49 0.00 2.65 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 0.00 0.00 0.00 133 I 8.06 4.44 1.45 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 1.09 0.98 0.71 0.00 0.00 134 F 9.21 5.83 0.00 3.15 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 0.00 135 D 8.52 5.14 0.00 3.01 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.93 4.39 0.00 2.16 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 2.31 2.27 0.00 137 H 8.75 4.74 0.00 3.19 3.32 0.00 6.00 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.64 3.87 0.00 1.85 1.66 0.00 2.94 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 139 E 8.01 4.96 0.00 2.22 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 2.51 2.24 0.00 140 P 0.00 4.80 0.00 2.39 2.43 0.00 3.95 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 141 F 9.03 4.96 0.00 3.09 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 0.00 142 A 7.23 5.18 0.37 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 0.00 143 A 8.66 4.60 0.55 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 0.00 0.00 144 I 8.25 4.64 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.54 0.84 0.00 0.00 145 S 8.53 5.08 0.00 4.02 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.53 4.93 1.80 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 1.09 1.03 0.66 0.00 0.00 147 S 8.94 5.20 0.00 3.70 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 0.00 148 G 9.20 4.36 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 0.00 149 P 0.00 5.17 0.00 2.12 2.18 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 150 I 8.63 3.89 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 1.29 1.07 0.95 0.00 0.00 151 S 8.35 4.22 0.00 3.99 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 0.00 152 R 8.02 4.44 0.00 1.78 1.98 0.00 2.97 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 153 I 6.83 3.94 1.91 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.77 0.80 0.00 0.00 154 T 7.43 4.16 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 1.21 0.00 0.00 155 D 8.72 4.13 0.00 2.78 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 0.00 156 D 7.90 4.60 0.00 2.72 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 0.00 157 R 8.40 4.29 0.00 1.44 1.15 0.00 3.04 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.00 158 V 6.94 3.18 1.75 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 0.06 0.00 0.00 0.70 0.00 0.00 159 T 7.56 3.53 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 1.22 0.00 0.00 160 E 7.87 3.86 0.00 1.90 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 0.00 2.32 2.64 0.00 161 F 8.28 4.56 0.00 2.92 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 0.00 162 G 8.77 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 0.00 0.00 0.00 163 A 7.83 4.01 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 *165 V 7.87 3.98 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 0.82 0.00 0.00 1.02 0.00 0.00 166 I 7.45 3.72 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.22 0.97 0.00 0.00 167 K 8.07 3.82 0.00 1.83 1.80 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.47 7.81 168 A 8.07 3.93 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 0.00 169 A 8.03 3.91 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 8.15 3.99 0.00 2.05 1.91 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.72 7.81 171 E 8.71 4.23 0.00 2.12 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 0.00 2.35 2.46 0.00 172 V 7.35 3.98 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 1.10 0.00 0.00 0.99 0.00 0.00 173 T 8.03 4.04 4.55 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 1.41 0.00 0.00 174 L 8.72 4.16 0.00 1.79 1.71 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 175 A 7.77 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 0.00 176 Y 8.49 4.43 0.00 3.03 3.36 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 0.00 177 G 8.53 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 7.88 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.