NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.2648 8.1849 122.4909 54.4360 43.9615 177.1439 7 P 4.1634 0.0000 0.0000 62.1548 31.8448 173.5324 8 Y 4.3413 8.6485 123.0760 55.9933 40.7951 175.2145 9 E 4.2068 7.5864 126.9371 54.6764 28.9365 176.7917 10 F 3.4709 8.3799 123.7553 59.1023 39.0142 176.8637 11 F 5.2690 7.5036 118.3136 57.1525 39.6473 175.3575 12 S 4.4072 7.7598 117.1588 58.1153 63.1452 175.4342 13 E 3.9432 8.8604 123.1224 59.2762 29.5491 178.3056 14 E 4.2497 8.2047 118.1627 58.2481 30.3926 177.1322 15 N 4.7661 7.9618 114.8692 54.7097 39.2134 176.8372 16 A 4.6953 9.1029 124.8085 54.4106 18.2914 177.7722 17 P 4.4380 0.0000 0.0000 64.5820 31.4552 177.7670 18 K 4.2119 8.6238 116.7688 56.5231 32.9171 177.0431 19 W 4.6756 8.0956 117.7641 57.4840 31.4118 175.9167 20 R 4.2730 8.5012 117.9997 58.1588 29.5855 175.8225 21 G 4.0787 9.2150 112.4072 46.7289 0.0000 174.6202 22 L 4.2146 8.6585 123.6653 56.7588 42.4306 177.6040 23 L 4.5234 9.4061 118.8780 55.3148 42.4762 178.6467 24 V 3.5691 8.0366 118.5107 65.8376 31.3939 175.6172 25 P 4.2289 0.0000 0.0000 65.9508 31.1181 178.3557 26 A 4.0371 7.9530 118.5498 55.2400 18.4251 179.3598 27 L 3.9110 8.5551 117.8331 57.9212 41.4133 179.7383 28 K 4.0355 8.1243 118.9824 59.1336 31.9005 178.5907 29 K 4.0932 7.8983 119.7004 59.2516 32.0824 178.9844 30 V 4.0731 8.0056 120.3811 64.9246 31.2709 177.0881 31 Q 4.3080 8.0962 117.3043 57.2686 28.6557 177.3517 32 G 3.7397 7.5171 104.5815 47.6061 0.0000 175.9405 33 Q 4.1422 7.8606 119.8082 58.7693 28.7157 178.3837 34 V 3.8203 7.6181 117.9866 64.8302 32.2857 176.3672 35 H 4.7780 7.8732 122.0577 52.9672 29.9157 172.4795 36 P 4.3494 0.0000 0.0000 65.6605 31.5602 178.6082 37 T 4.1168 7.8743 113.7662 66.0731 68.7671 175.0211 38 L 4.3537 7.2846 120.6678 54.4731 42.1271 177.4849 39 E 4.6075 8.4735 122.5717 55.6654 31.6983 175.2310 40 S 4.8299 8.4051 114.3206 56.8063 66.0861 173.3364 41 N 4.8353 8.5827 119.8461 51.8015 39.6428 175.5963 42 D 4.0797 8.8496 124.1236 57.4265 40.5491 178.6846 43 D 4.2634 7.9784 117.2113 57.2120 41.6138 177.6852 44 A 4.1867 7.8019 120.7440 55.3118 18.6062 179.3632 45 L 3.9170 8.7609 118.2207 58.0032 41.2454 179.4528 46 Q 4.1895 8.0579 118.8167 58.6552 29.0415 177.3060 47 Y 4.2773 8.2285 121.3274 60.3996 38.7168 177.6277 48 V 3.2331 7.7422 118.8388 65.8032 31.5874 177.1203 49 E 3.8908 7.7116 117.5959 59.5219 29.3927 178.6126 50 E 4.1014 7.7538 116.8987 59.5123 29.6153 179.3399 51 L 3.9589 7.3209 118.0646 58.0217 41.6361 179.5357 52 I 3.7574 8.3487 120.2336 64.5743 37.0690 178.5811 53 L 3.5922 8.4166 120.2551 57.6257 41.1367 179.2448 54 Q 3.7609 8.0519 118.6036 58.7607 28.8705 178.0911 55 L 4.0027 7.5636 120.8321 57.9408 42.2153 178.1311 56 L 4.1252 7.9733 120.4089 57.7747 42.0630 176.5137 57 N 4.4809 8.0934 117.1155 54.0658 39.8587 176.7260 *59 L 4.3613 7.8799 120.3117 54.8523 44.1562 179.4769 60 C 4.2738 7.8050 115.5909 62.6125 28.2154 175.9625 61 Q 4.2221 8.0195 117.8852 58.5769 28.2948 177.1425 62 A 4.2482 7.8555 118.2612 51.6238 19.0982 177.0502 63 Q 3.6062 8.2445 114.6295 55.3272 26.8026 173.1352 64 P 4.4279 0.0000 0.0000 63.0578 32.3255 177.2789 65 R 4.6196 8.2114 120.6322 54.9681 30.9069 175.6373 66 S 4.5119 7.5985 110.8750 56.3228 66.2153 176.2648 67 A 3.6617 8.1285 124.9517 55.4392 18.0393 180.0072 68 S 3.7928 7.7815 110.7706 61.6835 62.5600 175.5868 69 D 4.3637 7.7465 121.0113 57.7238 40.4819 179.5363 70 V 3.6125 7.4177 117.7919 65.8007 31.5318 177.3927 71 E 4.0792 7.7358 118.7461 59.5774 29.1040 178.5718 72 E 3.8637 8.2153 118.9227 59.3045 29.6697 178.5727 73 R 3.9723 7.7270 118.2785 59.5482 30.1882 178.6921 74 V 3.4082 8.1287 118.3476 65.7828 31.3439 177.3762 75 Q 4.1795 8.1308 116.7589 57.6021 28.8582 176.8591 76 K 4.4854 7.5467 116.3116 57.2663 34.0678 176.9340 77 S 4.5441 7.7525 112.0620 59.8633 64.1428 175.0676 78 F 3.9951 8.2687 119.6170 56.5839 39.0119 173.6980 79 P 4.4813 0.0000 0.0000 62.6540 31.9635 174.4067 80 H 5.7193 8.3086 118.6335 53.9307 30.9148 173.1703 81 P 3.8514 0.0000 0.0000 66.3423 31.7681 179.1496 82 I 3.9623 7.7456 119.0270 64.2340 37.1501 176.8830 83 D 4.5396 8.5794 120.5728 56.8747 38.9024 178.6825 84 K 3.6348 7.5128 121.1137 58.4642 32.1862 178.5116 85 W 4.6768 7.4491 118.1916 59.9136 28.9747 178.0727 86 A 2.8865 8.5076 120.8382 54.9953 17.7932 179.5675 87 I 3.4293 7.6166 117.8638 64.4576 37.2179 178.4184 88 A 3.9720 7.9978 121.4007 55.4244 18.0181 179.2837 89 D 4.2425 7.8253 114.8708 56.9909 41.5964 178.0736 90 A 3.7808 7.9484 121.9589 55.0982 18.2909 179.6625 91 Q 4.1519 8.2058 116.7066 59.1527 28.5174 178.6692 92 S 4.2216 8.1325 113.1342 60.3705 62.1911 175.2884 93 A 4.2956 7.8224 122.5078 53.6679 19.0982 177.8384 94 I 4.3815 7.4503 109.5951 61.1131 37.7408 176.5096 95 E 4.4921 7.7790 119.5654 55.3629 32.6458 175.0343 96 K 3.6632 7.3182 115.9541 57.0697 30.0296 173.9536 97 R 4.3349 8.0197 114.9924 55.2266 30.3121 174.5656 *102 P 4.1626 0.0000 0.0000 61.8909 32.4738 175.5174 103 L 4.2016 8.2840 120.8438 55.8236 42.4588 176.3518 104 S 4.6409 9.3324 117.7219 59.5323 65.0363 175.6641 105 L 4.2336 7.9851 118.3349 53.8464 42.7486 176.3504 106 P 4.6737 0.0000 0.0000 62.4293 27.1770 177.6762 107 V 3.7426 7.6802 121.4555 65.2775 31.4092 178.3915 108 E 4.0506 8.0628 117.5675 59.1010 29.3803 178.9778 109 K 4.1374 7.9740 118.1063 59.2561 32.1590 179.4050 110 I 3.5723 8.4706 120.5035 64.8503 36.8606 177.6973 111 H 4.0885 7.9850 117.5925 59.1130 29.9913 174.6264 112 P 4.2514 0.0000 0.0000 65.7270 31.4808 178.6836 113 L 4.1193 7.3757 117.1567 57.5284 40.1081 179.1200 114 L 4.2445 8.6523 120.0287 56.7334 41.6868 177.7755 115 K 4.2561 8.3363 117.3480 56.9400 32.3417 177.3241 116 E 3.9220 7.6960 118.1560 57.3864 29.8267 177.5945 117 V 3.5471 7.2601 116.9023 64.2223 32.3900 176.8844 118 L 3.9139 7.1206 115.3261 54.6215 41.4287 178.9734 119 G 3.9421 7.4231 106.2821 45.2568 0.0000 172.8663 120 Y 4.8961 6.3587 116.9698 54.3088 40.9390 174.9611 121 K 4.2135 8.6296 121.7453 56.4497 33.0066 176.2139 122 I 4.7626 7.9841 124.6919 59.1802 40.7598 175.1593 123 D 4.5011 8.6866 124.3096 54.4065 41.5215 176.7112 124 H 3.9568 9.1661 123.5409 59.7423 29.6907 176.4210 125 Q 3.9609 8.2514 120.5821 59.3082 28.6287 178.7693 126 V 3.5572 8.2730 119.1898 66.1479 31.6820 177.8129 127 S 4.1859 8.2068 114.4274 61.8649 62.6829 176.6805 128 V 3.5403 7.6590 120.4429 66.2917 31.1232 177.0913 129 Y 3.9738 7.9351 118.7621 60.9218 38.6282 178.0109 130 I 3.7372 8.2672 120.7775 64.7203 37.3566 178.4972 131 V 3.6822 8.4350 118.8290 66.0061 31.3588 177.7672 132 A 4.0022 8.5486 120.7906 55.2278 18.2774 179.8741 133 V 3.5256 7.8161 116.7579 66.0576 31.7359 178.1175 134 L 4.1093 8.4746 119.1457 58.0214 41.4334 179.2622 135 E 3.9964 8.8525 119.5232 59.1658 29.5802 177.9108 136 Y 4.1344 8.0345 119.5528 61.1419 38.8036 178.4153 137 I 3.6381 7.9695 120.1730 64.3948 37.1624 178.5140 138 S 4.0138 7.9071 115.3226 61.7024 62.7220 176.6143 139 A 3.9719 8.3513 123.5880 55.0237 18.0295 179.2855 140 D 4.0468 7.7691 116.8247 57.4228 41.2174 178.4855 141 I 3.6062 7.8032 120.5214 64.3110 37.1103 178.4301 142 L 3.9824 7.9233 119.7526 57.6492 41.4593 179.5795 143 K 3.8779 8.1197 118.4861 59.9142 31.9654 178.5204 144 L 3.9194 8.1036 120.2349 57.6496 41.9298 178.3751 145 A 4.1416 8.6945 120.7666 55.4860 18.4784 179.5607 146 G 3.6180 8.5616 104.0974 48.2164 0.0000 175.1609 147 N 4.2904 8.2589 119.6814 56.3434 39.0743 176.1716 148 Y 4.0905 8.2517 121.0754 60.6820 38.8737 178.2925 149 V 3.2764 8.2479 119.3908 66.0823 31.4637 178.0969 150 R 3.7156 7.9935 117.1487 58.9728 29.8856 177.6099 151 N 4.4317 7.9636 117.0864 55.9025 38.9844 175.8739 152 I 4.0475 6.9334 111.6036 60.1340 37.9995 175.6375 153 R 3.5563 7.6356 116.6988 58.0806 27.1446 175.4715 154 H 4.8990 7.6832 113.5247 54.5503 31.1821 174.3984 155 Y 4.6939 8.7201 118.6938 57.7435 39.4148 174.7864 156 E 4.7256 8.0138 117.1763 54.5533 32.7090 176.1759 157 I 4.1595 8.0615 123.4224 60.7902 36.7560 175.9627 158 T 4.2303 9.4186 124.6371 62.4077 69.7731 176.1940 159 K 3.8588 8.7581 124.5564 60.1051 32.0912 178.9712 160 Q 3.9164 8.0279 117.5139 59.1342 28.5964 178.4944 161 D 4.5673 7.9172 119.3028 57.4936 40.6548 178.9636 162 I 3.6794 7.6606 118.5644 64.2831 37.2833 177.9747 163 K 4.0662 7.6010 117.7492 59.5994 31.7693 179.2568 164 V 3.5880 7.7215 117.9263 65.7119 31.2825 178.0548 165 A 3.3926 7.7767 117.2944 53.4658 18.1246 178.5582 *167 C 4.2644 8.0034 116.6201 60.3256 30.1445 174.6037 168 A 4.1890 7.4584 120.9814 53.1203 19.3130 176.6043 169 D 4.5777 7.3427 115.2113 52.9646 40.6005 176.0439 170 K 3.9591 8.9235 126.5485 60.0695 32.1358 178.8658 171 V 3.6357 7.6902 116.0048 66.4824 31.5750 179.5963 172 L 4.2832 8.7681 118.9845 55.0034 40.4801 177.4807 *174 D 4.3020 8.0052 115.7164 54.5131 42.2957 176.6306 *176 F 4.4697 8.0108 115.9377 57.2073 41.1639 175.6341 177 H 4.8145 8.2584 117.6750 53.7488 26.5473 174.1481 178 Q 4.5641 7.2900 117.3474 57.0648 33.2427 175.0962 179 D 4.8542 8.1407 117.0713 54.6210 42.9631 177.0088 180 V 4.5036 7.7153 110.7516 60.6794 32.2157 174.7578 181 E 4.4446 8.3229 122.5334 54.6403 31.1947 174.5949 182 D 4.7354 8.1287 120.0905 54.0070 42.1536 176.9149 183 I 4.1500 7.8837 119.8482 62.2195 38.2477 175.1996 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 6 L 8.18 4.26 0.00 1.61 1.76 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.16 0.00 2.16 2.01 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 8 Y 8.65 4.34 0.00 2.48 2.58 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 9 E 7.59 4.21 0.00 1.79 1.77 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 2.26 2.17 0.00 10 F 8.38 3.47 0.00 1.86 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 0.00 0.00 0.00 11 F 7.50 5.27 0.00 3.08 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 12 S 7.76 4.41 0.00 3.77 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 13 E 8.86 3.94 0.00 1.97 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 2.36 2.36 0.00 14 E 8.20 4.25 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 2.28 2.34 0.00 15 N 7.96 4.77 0.00 2.83 3.06 0.00 0.00 6.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 9.10 4.70 1.57 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 0.00 0.00 17 P 0.00 4.44 0.00 2.07 2.16 0.00 3.86 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 18 K 8.62 4.21 0.00 1.55 1.35 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.46 7.81 19 W 8.10 4.68 0.00 3.58 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 20 R 8.50 4.27 0.00 2.21 2.03 0.00 3.14 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 21 G 9.22 4.08 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 0.00 0.00 0.00 22 L 8.66 4.21 0.00 1.69 2.05 0.90 0.83 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 23 L 9.41 4.52 0.00 1.81 1.74 1.01 0.82 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 24 V 8.04 3.57 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 1.17 0.00 0.00 0.98 0.00 0.00 25 P 0.00 4.23 0.00 2.22 2.12 0.00 3.82 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 2.15 2.20 0.00 26 A 7.95 4.04 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 27 L 8.56 3.91 0.00 1.92 1.75 0.97 0.53 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 28 K 8.12 4.04 0.00 1.85 2.03 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 29 K 7.90 4.09 0.00 1.91 1.94 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 30 V 8.01 4.07 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 1.21 0.00 0.00 1.03 0.00 0.00 31 Q 8.10 4.31 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.45 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 32 G 7.52 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 33 Q 7.86 4.14 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 34 V 7.62 3.82 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 0.70 0.00 0.00 0.96 0.00 0.00 35 H 7.87 4.78 0.00 3.17 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.35 0.00 2.05 2.12 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 37 T 7.87 4.12 4.27 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 1.28 0.00 0.00 38 L 7.28 4.35 0.00 1.65 1.60 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.47 4.61 0.00 2.07 1.90 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 2.33 2.29 0.00 40 S 8.41 4.83 0.00 3.83 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 41 N 8.58 4.84 0.00 2.96 2.79 0.00 0.00 7.09 8.08 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 42 D 8.85 4.08 0.00 2.72 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 43 D 7.98 4.26 0.00 2.65 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 44 A 7.80 4.19 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 45 L 8.76 3.92 0.00 1.76 1.77 0.97 0.55 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 46 Q 8.06 4.19 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 47 Y 8.23 4.28 0.00 3.02 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 48 V 7.74 3.23 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 0.88 0.00 0.00 0.94 0.00 0.00 49 E 7.71 3.89 0.00 2.18 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 2.47 2.49 0.00 50 E 7.75 4.10 0.00 2.23 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 2.53 2.57 0.00 51 L 7.32 3.96 0.00 1.54 1.47 0.25 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.35 3.76 1.96 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 1.67 0.87 0.94 0.00 0.00 53 L 8.42 3.59 0.00 1.33 0.13 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.05 3.76 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.98 0.00 0.00 0.00 0.00 0.00 2.64 2.33 0.00 55 L 7.56 4.00 0.00 1.73 1.90 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.97 4.13 0.00 1.81 1.81 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.09 4.48 0.00 3.31 3.01 0.00 0.00 7.03 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 *59 L 7.88 4.36 0.00 1.99 1.81 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 60 C 7.81 4.27 0.00 2.97 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 61 Q 8.02 4.22 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 62 A 7.86 4.25 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 63 Q 8.24 3.61 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 64 P 0.00 4.43 0.00 2.12 2.03 0.00 3.71 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 2.16 2.16 0.00 65 R 8.21 4.62 0.00 1.61 1.67 0.00 3.00 0.00 0.00 2.85 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.50 0.00 66 S 7.60 4.51 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.13 3.66 1.07 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 0.00 0.00 0.00 68 S 7.78 3.79 0.00 3.79 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 69 D 7.75 4.36 0.00 2.96 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 70 V 7.42 3.61 2.27 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 1.28 0.00 0.00 1.05 0.00 0.00 71 E 7.74 4.08 0.00 1.96 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 2.32 2.44 0.00 72 E 8.22 3.86 0.00 2.06 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 2.30 2.30 0.00 73 R 7.73 3.97 0.00 2.08 2.14 0.00 3.23 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 74 V 8.13 3.41 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 -0.11 0.00 0.00 0.66 0.00 0.00 75 Q 8.13 4.18 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 76 K 7.55 4.49 0.00 1.94 1.82 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.58 7.81 77 S 7.75 4.54 0.00 4.01 4.05 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 78 F 8.27 4.00 0.00 3.18 3.22 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 79 P 0.00 4.48 0.00 2.21 2.01 0.00 3.55 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 2.23 2.07 0.00 80 H 8.31 5.72 0.00 3.03 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 3.85 0.00 2.57 2.39 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 82 I 7.75 3.96 2.22 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.03 1.40 0.00 0.00 83 D 8.58 4.54 0.00 2.95 3.22 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 84 K 7.51 3.63 0.00 1.41 1.00 0.00 1.29 0.00 0.00 0.66 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.09 1.27 7.81 85 W 7.45 4.68 0.00 3.50 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 86 A 8.51 2.89 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 87 I 7.62 3.43 1.91 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 1.34 0.57 0.95 0.00 0.00 88 A 8.00 3.97 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 89 D 7.83 4.24 0.00 2.60 2.58 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 90 A 7.95 3.78 0.42 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 91 Q 8.21 4.15 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 92 S 8.13 4.22 0.00 3.99 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 93 A 7.82 4.30 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 94 I 7.45 4.38 1.94 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 1.53 0.72 1.16 0.00 0.00 95 E 7.78 4.49 0.00 1.89 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 2.25 2.26 0.00 96 K 7.32 3.66 0.00 1.67 1.79 0.00 1.78 0.00 0.00 1.77 0.00 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117 V 7.26 3.55 1.72 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 0.41 0.00 0.00 -0.23 0.00 0.00 118 L 7.12 3.91 0.00 1.03 0.26 0.84 0.78 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 0.00 119 G 7.42 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 0.00 120 Y 6.36 4.90 0.00 3.06 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 0.00 121 K 8.63 4.21 0.00 1.79 1.82 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.50 7.81 122 I 7.98 4.76 1.96 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 1.65 1.08 1.02 0.00 0.00 123 D 8.69 4.50 0.00 2.73 2.62 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 0.00 124 H 9.17 3.96 0.00 3.14 3.33 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.25 3.96 0.00 2.17 2.10 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0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.65 0.00 0.00 134 L 8.47 4.11 0.00 1.94 1.79 1.02 0.91 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 0.00 135 E 8.85 4.00 0.00 2.09 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 2.35 2.34 0.00 136 Y 8.03 4.13 0.00 3.26 3.27 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 0.00 137 I 7.97 3.64 1.99 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 2.12 0.98 0.95 0.00 0.00 138 S 7.91 4.01 0.00 4.10 3.89 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 0.00 139 A 8.35 3.97 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 0.00 140 D 7.77 4.05 0.00 2.31 2.64 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 0.00 141 I 7.80 3.61 1.86 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.77 0.00 0.00 142 L 7.92 3.98 0.00 1.67 1.72 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.12 3.88 0.00 1.99 1.83 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.48 7.81 144 L 8.10 3.92 0.00 1.74 1.77 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.69 4.14 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 0.00 146 G 8.56 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 0.00 147 N 8.26 4.29 0.00 2.98 3.00 0.00 0.00 6.91 7.21 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 0.00 148 Y 8.25 4.09 0.00 3.06 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 0.00 149 V 8.25 3.28 2.17 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 0.94 0.00 0.00 0.97 0.00 0.00 150 R 7.99 3.72 0.00 1.63 1.94 0.00 3.26 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 151 N 7.96 4.43 0.00 2.80 2.85 0.00 0.00 7.19 8.77 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 0.00 152 I 6.93 4.05 1.72 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.65 0.00 0.00 153 R 7.64 3.56 0.00 1.84 1.98 0.00 3.19 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 154 H 7.68 4.90 0.00 3.13 3.13 0.00 5.62 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 0.00 155 Y 8.72 4.69 0.00 2.92 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 0.00 156 E 8.01 4.73 0.00 1.94 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 2.20 2.33 0.00 157 I 8.06 4.16 1.89 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 1.22 0.55 0.94 0.00 0.00 158 T 9.42 4.23 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 1.22 0.00 0.00 159 K 8.76 3.86 0.00 1.77 1.72 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.27 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.12 1.24 7.81 160 Q 8.03 3.92 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 161 D 7.92 4.57 0.00 2.99 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 0.00 162 I 7.66 3.68 2.14 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 1.68 0.70 0.98 0.00 0.00 163 K 7.60 4.07 0.00 1.83 1.81 0.00 1.67 0.00 0.00 1.24 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.35 7.81 164 V 7.72 3.59 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 0.69 0.00 0.00 0.94 0.00 0.00 165 A 7.78 3.39 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 *167 C 8.00 4.26 0.00 3.05 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 0.00 168 A 7.46 4.19 1.23 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 0.00 0.00 169 D 7.34 4.58 0.00 2.75 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 0.00 170 K 8.92 3.96 0.00 1.79 1.88 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 171 V 7.69 3.64 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 0.85 0.00 0.00 0.97 0.00 0.00 172 L 8.77 4.28 0.00 1.62 1.66 0.82 1.25 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 *174 D 8.01 4.30 0.00 2.81 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 *176 F 8.01 4.47 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 0.00 177 H 8.26 4.81 0.00 3.29 3.36 0.00 5.56 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 0.00 178 Q 7.29 4.56 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.55 6.91 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 179 D 8.14 4.85 0.00 2.86 2.80 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 0.00 0.00 0.00 0.00 180 V 7.72 4.50 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 0.94 0.00 0.00 1.08 0.00 0.00 181 E 8.32 4.44 0.00 1.90 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 0.00 2.19 2.30 0.00 182 D 8.13 4.74 0.00 2.69 2.62 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 0.00 183 I 7.88 4.15 1.85 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 1.22 0.51 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.