NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2967 8.2493 123.5765 51.7389 20.3879 177.0829 3 S 4.2653 7.8283 110.9221 58.0967 64.0837 172.9936 4 I 3.6686 7.4748 122.2975 61.0238 39.0086 176.6527 5 S 4.5267 8.3546 122.0411 57.4352 64.4450 174.0644 6 E 4.0503 8.6854 121.1081 59.6059 29.5199 180.1440 7 K 4.0678 7.5368 117.1537 56.9772 31.8148 178.4298 *9 V 3.9716 7.9274 118.6748 62.4024 33.2848 177.0658 10 E 3.9893 8.4210 119.7002 59.3517 29.4511 178.6790 11 A 4.0144 8.2608 120.9088 55.1197 18.3157 179.6498 12 L 4.0460 7.9180 117.1973 57.9306 41.8249 179.2119 13 N 4.4406 8.6329 117.0481 56.4186 38.4176 177.7181 14 R 4.0843 8.4636 119.8013 59.2423 30.0638 178.8895 15 Q 4.0038 8.2855 119.5381 58.9564 28.9558 178.1572 16 I 3.7749 8.2333 121.4996 64.4234 37.2212 177.6170 17 N 4.3622 8.3989 117.5152 56.9477 38.7265 176.6855 18 A 4.2701 8.2807 122.0610 55.2208 18.4311 179.5412 19 E 4.0642 8.7754 117.6265 59.6325 29.5896 179.5928 20 I 3.7508 8.0971 120.0186 64.5648 36.9660 177.7831 21 Y 4.1149 8.7323 120.7275 60.7699 38.5766 178.4032 22 S 3.8229 8.4375 115.9821 61.4085 62.8876 176.2740 23 A 4.2773 8.1392 123.4139 55.7642 18.0185 179.1168 24 Y 4.3496 8.0727 117.8056 60.4827 38.6171 177.5042 25 L 3.6572 7.5205 121.1017 58.3434 42.2104 178.4131 26 Y 4.5059 7.3202 115.3175 60.8163 38.0549 177.7278 27 L 3.9862 8.2923 121.9642 57.7061 41.5353 179.6701 28 S 4.3183 8.0397 112.0468 58.4074 62.2272 175.6679 *30 A 4.5289 8.0076 124.5273 51.8553 20.5898 179.8490 31 S 4.0817 7.9856 109.4913 61.5755 62.4738 175.6241 32 Y 4.1538 8.2135 122.2337 60.9847 38.4899 178.3302 33 F 4.0265 8.0086 118.0456 60.3771 39.1653 177.1269 34 D 4.4153 8.4991 119.1323 57.5213 40.4732 179.0566 35 S 4.3104 7.9327 113.1978 60.0599 62.9866 174.8612 36 I 4.2023 6.7963 112.9929 60.2692 37.5650 175.8098 37 G 3.8453 8.0363 107.9021 46.7108 0.0000 174.8546 38 L 4.6939 7.8081 121.9137 52.6657 41.0159 177.3345 39 K 4.2765 8.1973 122.6333 58.5126 32.3009 178.7962 40 G 4.1177 8.5686 108.0172 47.0849 0.0000 175.8832 41 F 3.7399 8.4675 118.8188 60.1169 38.8732 177.1295 42 S 4.4413 8.0274 111.6290 61.5085 62.4352 175.3252 43 N 4.5319 8.3939 119.7449 56.4130 38.5618 176.9010 44 W 4.2700 8.2255 127.0038 58.6034 30.9842 177.4146 *46 R 4.4055 7.9362 118.1507 55.9104 31.7939 178.0994 47 V 3.5730 8.1233 117.3196 65.9562 31.3138 177.9259 48 Q 3.6796 8.0771 119.5755 58.5366 28.7947 177.8243 49 W 4.3990 8.3299 129.0432 60.8697 30.6041 177.8076 50 Q 3.5528 7.8521 116.4662 58.7062 28.1326 178.1736 51 E 3.9929 7.8695 119.6387 59.3103 29.9683 178.4817 52 E 4.0731 8.4497 118.8943 58.9063 29.2532 179.6832 53 L 4.1777 7.2755 117.6019 55.0059 41.6432 178.2293 *55 H 4.9847 8.1480 116.3012 56.2472 30.4576 175.8331 56 A 4.0535 8.0349 117.0011 53.4053 17.9275 177.6425 *58 K 4.1092 7.9804 117.9003 57.6146 33.8261 177.2413 *60 F 4.6795 8.0399 120.7013 57.9189 41.1141 176.7705 61 D 4.5554 8.2562 119.8382 57.0121 40.6658 178.2208 62 F 3.9071 8.3613 121.4049 61.2376 39.2361 177.2527 63 V 3.2939 7.6694 117.4361 66.0481 31.2296 177.9998 64 S 4.3713 7.3524 113.8042 60.6989 62.6984 175.9579 65 E 3.7604 7.8086 121.9832 58.7625 29.3700 178.4067 66 R 3.9130 7.1906 116.5172 56.8119 30.2456 177.4334 67 G 3.7627 7.9044 107.3070 45.0203 0.0000 173.7381 68 G 3.7780 7.8135 109.6273 44.3725 0.0000 172.7997 69 R 4.4599 7.9828 118.7983 53.9465 32.0122 174.9875 70 V 4.1285 7.9825 124.8002 61.5429 32.1684 174.6212 71 K 4.2831 8.2763 128.1533 54.3955 33.4941 175.1142 72 L 4.2427 8.1646 126.4146 54.0839 42.5624 175.8683 73 Y 4.7368 8.0968 120.2211 55.5408 40.4406 175.2571 74 A 4.0737 8.5635 123.8632 52.7532 18.8832 177.2578 75 V 4.3506 8.0995 120.5391 61.0000 32.6342 175.8283 76 E 4.2862 8.7703 126.9379 55.7578 30.1261 176.2851 77 E 4.2283 8.7123 123.6306 55.6786 29.9441 175.3286 78 P 4.9417 0.0000 0.0000 60.5061 32.5819 173.9623 79 P 4.3906 0.0000 0.0000 62.8303 31.6936 176.1886 80 S 4.6934 7.7773 110.3556 56.4820 64.5083 173.8482 81 E 4.4215 6.7918 119.3013 54.1084 32.8470 174.6760 82 W 4.5136 7.3031 120.5367 54.4155 32.8799 175.5041 83 D 4.4925 8.7749 120.3591 57.4241 40.7135 177.0070 84 S 4.7202 7.7057 111.7564 55.8878 66.4915 174.2505 85 P 4.6076 0.0000 0.0000 65.7744 30.9718 178.4645 86 L 4.0525 8.1373 118.2673 58.3645 42.0464 178.7623 87 A 4.1096 8.2454 120.2457 55.0951 18.2450 179.2619 88 A 3.2797 8.2172 119.2589 55.4285 18.3844 179.9671 89 F 3.6655 8.5509 115.8709 60.1398 38.9739 177.9779 90 E 4.1570 8.9404 119.1620 59.6883 29.2725 178.7639 91 H 4.3398 8.4368 118.3737 59.0749 29.8697 177.2928 92 V 3.7423 8.0284 120.4404 66.3967 31.2492 177.3767 93 Y 4.1766 8.3447 119.0146 60.9502 38.7125 177.9455 94 E 3.8474 8.5839 119.5281 59.4139 29.4763 178.7348 95 H 4.2435 8.9452 118.8480 59.5201 29.8923 177.2647 96 E 4.1232 8.5069 120.5066 59.2105 29.2716 179.4199 97 V 3.4177 7.8511 118.8361 65.8775 31.4955 177.6775 98 N 4.2795 8.1182 116.8912 56.5390 38.7648 176.9511 99 V 3.6048 8.1362 120.1482 66.3363 31.4816 178.2061 100 T 3.7988 8.1406 115.6029 66.4248 68.2245 176.3153 101 K 3.8022 7.8848 121.5598 59.7288 32.1013 178.7091 102 R 3.8866 8.0188 118.7519 59.3488 29.9143 178.5083 103 I 3.7119 7.9764 119.7562 64.8087 37.0889 178.0642 104 H 4.2003 8.7015 117.4014 59.0452 28.2928 177.7099 105 E 4.0557 8.3378 119.6023 59.3117 29.3139 179.0685 106 L 4.1744 7.8618 118.3821 57.7997 41.7718 179.4015 107 V 3.9076 7.8122 117.2540 65.9036 31.5156 178.8203 108 E 4.1931 8.2872 114.9995 56.7006 29.3679 177.2905 *110 A 4.2233 7.8075 119.9650 52.3179 20.1129 179.3251 *112 Q 4.2547 8.0724 119.3399 57.3579 30.5428 176.3624 113 E 4.1362 8.1976 114.4573 56.1456 29.9052 176.3972 114 K 3.4245 7.7230 116.7433 57.4728 29.7314 176.5891 115 D 4.4806 7.7366 119.3869 52.9495 38.8179 175.4147 116 F 4.6317 7.6197 122.7465 59.8815 39.3468 176.6924 117 A 4.2010 8.1134 120.2066 55.6520 18.3711 179.6943 118 T 4.1184 8.4237 114.3049 66.8017 68.3114 176.1165 119 Y 4.2131 8.2213 120.7354 61.1044 39.1346 177.7050 120 N 4.4485 8.7799 117.8860 56.6804 38.5664 176.5850 121 F 4.0338 8.4242 122.0898 61.0789 39.3230 176.7995 122 L 4.1508 8.0525 117.8437 56.7854 41.4830 179.1223 123 Q 3.8421 7.7301 118.6360 58.3211 28.5297 178.2318 124 W 3.8710 7.6613 128.6969 60.6589 30.5882 177.6814 125 Y 3.7832 7.8736 116.1524 60.6480 37.1842 177.8315 126 V 3.5742 7.7605 118.2953 66.2595 31.7262 177.6049 127 A 3.9677 7.7649 120.0604 55.1298 18.1778 179.2552 128 E 3.4325 7.6408 117.7094 59.2258 29.4950 179.0369 129 Q 4.0233 8.1096 118.1129 58.5292 28.6981 178.8744 130 V 3.5686 7.4004 119.6978 66.1382 31.4832 177.9954 131 E 3.9714 7.9756 117.7059 59.2659 29.4979 178.8743 132 E 4.0354 8.2448 118.6317 59.5433 29.5146 179.3077 133 E 4.1017 8.4369 118.2424 59.6188 29.5802 179.4408 134 A 4.1005 8.0655 120.6244 55.1582 18.2735 179.9441 135 S 4.1337 8.6628 114.0450 61.6226 62.8782 176.7171 136 A 4.2074 8.1926 123.2562 55.3168 18.1737 179.5415 137 L 3.6824 8.5200 119.1895 58.0769 42.0732 178.8665 138 D 4.2727 8.2724 119.2305 57.4082 40.6617 178.7892 139 I 3.4597 7.3138 120.1453 63.7438 36.9146 178.4634 140 V 3.5663 7.7905 119.4085 66.2339 31.2480 178.0490 141 E 3.9223 8.2668 118.2675 59.2644 29.2020 179.4044 142 K 3.8907 8.0201 118.5433 59.5643 32.0554 179.4104 143 L 4.0163 8.1486 119.5213 57.6907 41.2638 179.7621 144 R 3.9589 7.8726 117.6310 58.9314 30.0773 178.4025 145 L 4.0862 8.0074 119.8389 58.0709 42.3601 178.8652 146 I 3.8613 8.1891 120.2475 62.1800 37.2642 177.6681 147 G 3.8603 8.5025 106.9484 47.2289 0.0000 174.6581 148 E 4.2902 8.8512 124.0772 55.9551 29.9832 175.6611 149 D 4.4281 7.8570 119.6758 54.1716 41.7079 176.6045 150 K 4.1166 8.6099 127.9578 59.0326 32.3624 179.6414 151 R 3.9102 8.0566 118.0050 59.3064 30.1374 178.6681 152 A 4.0477 8.7643 120.9534 55.0472 18.2715 179.3717 153 L 4.0171 7.8496 118.6107 58.4510 42.1803 179.3181 154 L 4.1455 8.2960 118.9787 57.5105 41.4904 179.2065 155 F 4.0834 8.1895 120.6983 61.1387 39.2268 176.9840 156 L 3.9211 8.2563 120.1419 57.8968 41.8935 178.1729 157 D 4.2496 8.6028 118.5415 57.4708 40.8570 178.4642 158 K 3.8276 7.9020 118.6624 59.5219 32.1467 179.0354 159 E 3.7664 7.7064 118.5945 59.5068 29.5054 179.5956 160 L 4.0332 7.8811 119.0809 57.3677 41.3497 179.4010 161 S 4.3713 7.3956 112.8712 60.5292 63.0105 175.7306 162 L 4.1692 7.5163 121.3204 55.2172 41.9892 177.1754 163 R 3.9466 7.2585 119.1403 56.5581 30.6028 176.2351 164 Q 4.2223 8.4551 122.1920 56.1028 29.2648 175.3841 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 A 8.25 4.30 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 3 S 7.83 4.27 0.00 4.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.47 3.67 1.79 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 0.81 0.88 0.00 0.00 5 S 8.35 4.53 0.00 4.00 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 6 E 8.69 4.05 0.00 2.01 2.04 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 2.38 2.23 0.00 7 K 7.54 4.07 0.00 1.71 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *9 V 7.93 3.97 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 0.90 0.00 0.00 0.94 0.00 0.00 10 E 8.42 3.99 0.00 2.19 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 2.33 2.40 0.00 11 A 8.26 4.01 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 12 L 7.92 4.05 0.00 1.89 1.78 1.06 0.82 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 13 N 8.63 4.44 0.00 2.98 3.12 0.00 0.00 6.99 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.46 4.08 0.00 1.97 1.97 0.00 3.07 0.00 0.00 2.72 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 15 Q 8.29 4.00 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 16 I 8.23 3.77 2.17 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 1.71 0.63 1.06 0.00 0.00 17 N 8.40 4.36 0.00 3.09 3.07 0.00 0.00 7.16 7.29 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 18 A 8.28 4.27 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 0.00 0.00 0.00 0.00 0.00 19 E 8.78 4.06 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.65 0.00 20 I 8.10 3.75 2.07 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 1.39 0.89 0.91 0.00 0.00 21 Y 8.73 4.11 0.00 3.16 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 22 S 8.44 3.82 0.00 4.16 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 23 A 8.14 4.28 1.56 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 24 Y 8.07 4.35 0.00 3.18 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 25 L 7.52 3.66 0.00 0.89 1.20 1.02 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.32 4.51 0.00 3.28 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 27 L 8.29 3.99 0.00 1.27 1.45 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.04 4.32 0.00 3.73 4.02 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 *30 A 8.01 4.53 1.48 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 0.00 0.00 31 S 7.99 4.08 0.00 3.87 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 32 Y 8.21 4.15 0.00 3.50 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 33 F 8.01 4.03 0.00 3.27 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 34 D 8.50 4.42 0.00 2.96 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 35 S 7.93 4.31 0.00 4.02 4.11 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 0.00 0.00 0.00 36 I 6.80 4.20 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.64 0.71 0.00 0.00 37 G 8.04 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.81 4.69 0.00 1.72 1.76 0.57 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.20 4.28 0.00 1.79 1.88 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.46 7.81 40 G 8.57 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 0.00 0.00 0.00 41 F 8.47 3.74 0.00 2.49 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 42 S 8.03 4.44 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.39 4.53 0.00 2.83 3.03 0.00 0.00 6.89 7.48 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 44 W 8.23 4.27 0.00 3.26 3.20 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 0.00 *46 R 7.94 4.41 0.00 2.14 2.13 0.00 3.27 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.62 0.00 47 V 8.12 3.57 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 0.81 0.00 0.00 0.95 0.00 0.00 48 Q 8.08 3.68 0.00 1.53 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 1.52 2.18 0.00 49 W 8.33 4.40 0.00 3.79 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 50 Q 7.85 3.55 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.69 0.00 51 E 7.87 3.99 0.00 1.87 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 2.13 2.32 0.00 52 E 8.45 4.07 0.00 2.08 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 2.77 2.85 0.00 53 L 7.28 4.18 0.00 1.53 1.41 0.56 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.15 4.98 0.00 3.55 3.82 0.00 5.74 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 56 A 8.03 4.05 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 *58 K 7.98 4.11 0.00 1.67 2.00 0.00 0.61 0.00 0.00 0.80 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.66 1.36 7.81 *60 F 8.04 4.68 0.00 3.23 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 61 D 8.26 4.56 0.00 2.87 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 62 F 8.36 3.91 0.00 2.45 2.42 0.00 0.00 0.00 0.00 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7.31 3.46 0.88 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.35 -0.64 0.00 0.00 140 V 7.79 3.57 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 0.99 0.00 0.00 1.07 0.00 0.00 141 E 8.27 3.92 0.00 2.11 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 2.25 2.39 0.00 142 K 8.02 3.89 0.00 1.79 1.79 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.54 7.81 143 L 8.15 4.02 0.00 1.82 1.75 1.08 0.97 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 0.00 144 R 7.87 3.96 0.00 1.88 1.98 0.00 3.17 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 145 L 8.01 4.09 0.00 1.60 1.92 0.89 1.32 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 0.00 146 I 8.19 3.86 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.00 0.96 0.00 0.00 147 G 8.50 3.86 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 0.00 0.00 0.00 148 E 8.85 4.29 0.00 1.97 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 2.26 2.23 0.00 149 D 7.86 4.43 0.00 2.71 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 0.00 150 K 8.61 4.12 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.71 7.81 151 R 8.06 3.91 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 152 A 8.76 4.05 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 0.00 153 L 7.85 4.02 0.00 1.85 1.91 0.87 0.47 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 0.00 154 L 8.30 4.15 0.00 1.92 1.75 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.19 4.08 0.00 3.18 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 0.00 156 L 8.26 3.92 0.00 1.90 1.96 0.68 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.60 4.25 0.00 3.16 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.90 3.83 0.00 1.76 1.61 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 159 E 7.71 3.77 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.27 0.00 160 L 7.88 4.03 0.00 1.51 1.56 0.57 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.40 4.37 0.00 4.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.52 4.17 0.00 1.85 1.72 0.90 0.59 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 0.00 163 R 7.26 3.95 0.00 1.83 1.81 0.00 2.67 0.00 0.00 2.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 164 Q 8.46 4.22 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.42 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.