NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.2690 8.3331 119.1203 55.2593 30.2708 173.0720 9 G 3.6161 8.3439 110.0472 42.6258 0.0000 172.6548 10 K 4.4077 8.4555 125.5332 56.5441 33.0028 177.2612 11 V 3.8962 7.7264 120.5986 64.3174 32.1503 177.5679 12 T 4.1251 7.2822 111.8545 60.5419 68.8046 177.6853 13 F 5.0482 8.2792 127.0665 55.8892 42.2740 173.2296 14 N 3.7610 7.9929 123.1235 52.0507 39.2746 173.9560 15 N 4.0990 8.8355 115.6369 56.7470 38.4407 175.6035 16 T 3.7473 7.8526 114.4205 63.8383 68.5704 174.0260 17 V 3.7805 8.2293 126.3212 62.4706 32.3192 175.1915 18 V 4.3053 7.9964 124.9157 60.5299 33.2776 174.8039 19 D 4.3421 8.8330 127.0792 54.3664 41.6279 174.9777 20 A 4.6735 8.2374 128.7552 49.8068 21.2044 174.4379 21 P 4.3445 0.0000 0.0000 62.0279 32.4530 176.9527 22 C 4.8756 9.4735 119.2667 57.1368 39.1005 173.3620 23 S 4.9550 8.8888 115.6707 56.5442 64.8324 173.0372 24 I 5.5367 8.5907 119.9365 59.1732 40.0739 174.4998 25 S 4.6435 8.0228 115.7507 58.0723 66.2234 173.1747 26 Q 4.8928 8.2563 120.7330 55.2186 32.1472 175.6203 27 K 4.0944 8.8539 120.2392 57.3648 32.1607 173.2874 28 S 4.5979 7.8071 113.7533 56.5821 64.2086 174.7843 29 A 3.9590 8.7495 128.1396 54.7492 18.1035 177.5071 30 D 4.7395 8.0059 113.1404 52.7214 40.2337 176.6198 31 Q 3.3130 8.2007 116.3738 57.6677 26.5528 172.7992 32 S 4.6528 9.0557 113.3688 57.1332 66.8428 174.7029 33 I 4.4539 7.7501 117.8422 57.9480 38.5671 174.8367 34 D 4.5912 8.4663 125.5038 51.3715 40.4813 176.6499 35 F 4.8087 8.5467 121.3078 58.1213 41.0368 176.6425 36 G 4.0274 10.3113 111.6517 43.7184 0.0000 174.7567 37 Q 4.5599 8.3752 109.7825 55.3042 31.6425 174.1526 38 L 4.7620 8.3564 120.2195 52.3922 45.7442 176.1106 39 S 4.6284 8.3559 116.7670 57.8825 63.8998 175.7934 40 K 4.0677 8.7963 135.0000 60.5107 31.7828 177.1057 41 S 4.4714 7.9792 119.0785 63.2169 62.3437 177.9950 42 F 4.1694 7.9855 124.4851 61.3537 38.8470 176.9902 43 L 4.3159 8.0562 118.6694 56.5068 41.9947 177.8556 44 E 4.2032 8.1571 118.8625 57.2460 29.5967 176.0151 45 A 4.3850 7.4983 121.4467 50.3994 20.3330 176.9545 46 G 3.3033 8.8303 111.0993 45.1434 0.0000 174.4977 47 G 2.4919 6.7264 108.5493 44.5824 0.0000 173.6879 48 V 4.5173 7.8932 128.9846 60.5004 33.2703 175.7758 49 S 4.4744 8.6620 124.4465 58.3821 63.8613 174.7207 50 K 4.2399 8.5430 124.3618 55.0045 32.1508 175.6514 51 P 4.7118 0.0000 0.0000 62.6805 32.3844 175.3127 52 M 4.8538 9.2582 123.4335 53.3179 34.8622 175.0482 53 D 4.6546 8.8549 123.4106 54.5312 41.9518 176.4848 54 L 4.7173 9.2732 126.2195 53.1774 42.3003 172.9833 55 D 5.3113 8.2375 120.9455 52.6794 42.8188 175.6065 56 I 4.3141 8.8086 124.7310 59.3590 39.8448 174.3222 57 E 4.6056 8.9578 129.6746 55.5911 30.9249 175.0563 58 L 4.8747 8.6624 127.8231 53.3772 43.0335 176.0706 59 V 4.3886 8.6589 123.7718 61.9289 34.7826 176.7711 60 N 4.4927 9.0983 119.3252 53.5669 37.4147 173.4027 61 C 4.9009 7.6834 110.8125 52.9592 39.0221 173.2976 62 D 4.5036 8.5980 122.3301 54.4072 39.9139 177.4654 63 I 4.0059 8.3984 125.5801 61.9709 35.7767 175.3138 64 T 4.1025 7.8991 115.5169 67.7685 68.4255 175.2172 65 A 4.0164 8.2723 122.3360 55.4573 19.1632 178.2442 66 F 4.1996 8.4487 118.5826 58.8641 37.8051 176.5138 67 K 3.7485 7.9905 116.5439 54.9827 29.6972 177.1334 68 G 3.9078 7.8923 107.0140 44.5160 0.0000 173.0983 *71 G 3.7305 8.2577 113.8378 45.2358 0.0000 170.1637 72 A 4.5658 7.4901 122.8411 51.6012 21.7614 176.8627 73 K 4.6908 8.0230 127.5621 54.9245 34.2581 176.2387 74 K 4.3855 8.4585 115.9247 57.7437 32.0583 177.4270 75 G 3.8472 6.6687 109.7642 43.5394 0.0000 173.9404 76 T 5.2165 8.1713 114.8165 60.2903 70.5276 173.9294 77 V 4.2742 7.1342 121.6483 61.1189 34.1977 174.3674 78 K 4.2251 8.7098 130.1879 55.2997 33.8474 174.9474 79 L 4.9827 7.7311 126.8478 53.3476 45.3767 174.8342 80 A 4.6561 7.7732 122.5734 51.3581 23.2462 175.3779 81 F 5.2209 8.6482 119.6354 56.6830 41.8887 175.0759 82 T 5.2968 9.0222 117.0835 61.7708 73.1429 173.4543 83 G 4.3713 8.5170 112.4249 45.1595 0.0000 170.3241 84 P 4.4377 0.0000 0.0000 63.9383 32.1121 175.7761 85 I 4.8295 8.1984 124.8856 58.2186 37.3890 172.1439 86 V 3.5364 8.2238 126.5937 62.3087 32.5414 174.6443 87 N 4.2072 8.9814 125.2388 55.3767 38.7331 174.2200 88 G 3.8777 9.4160 112.8900 46.4964 0.0000 173.9344 89 H 4.9979 8.3126 116.9028 54.3251 30.3544 174.8196 90 S 4.6839 8.2704 111.0756 59.0525 62.7078 175.4010 91 D 5.5688 8.3827 118.5148 52.3850 40.5419 175.2962 92 E 4.8145 8.2126 118.3393 55.0096 33.4934 174.5888 93 L 3.7591 8.9384 128.3467 54.9806 43.1868 175.5945 94 D 5.0626 9.1709 126.0458 52.9149 43.9098 176.3119 95 T 2.9535 9.3071 113.1295 64.0669 67.9435 167.3391 96 N 4.1189 9.1381 125.6907 57.1065 37.3612 174.0395 97 G 3.7468 9.6169 116.4164 45.6950 0.0000 171.2166 98 G 3.7591 9.1734 109.8498 45.2706 0.0000 173.6204 99 T 4.4834 6.8684 124.6499 63.1348 71.6449 174.9245 100 G 4.1263 7.9749 108.2188 46.5360 0.0000 172.8385 101 T 4.2565 7.3775 112.3806 62.8782 70.5557 172.8815 102 A 4.6597 6.9516 121.4930 52.5128 23.7319 175.7286 103 I 5.1303 8.2331 119.4855 59.5783 40.8924 175.2348 104 V 4.7956 8.7392 125.8858 61.0697 34.5013 174.0990 105 V 4.9778 8.7934 129.5703 61.8940 34.1195 174.4414 106 Q 5.0270 9.7602 129.4720 52.9271 30.7711 170.9541 107 G 4.2008 9.2952 115.4352 44.6790 0.0000 175.6814 108 A 4.1792 8.5522 125.2492 51.4920 17.3363 177.8282 109 G 4.3021 8.1285 121.7141 45.8456 0.0000 174.2862 110 K 3.8416 7.8706 119.5547 54.2661 32.3460 177.8280 111 N 4.9968 8.5146 120.3199 51.8949 39.3171 175.3102 112 V 3.5511 8.8944 123.9290 62.9288 32.6638 174.6505 113 V 4.4406 8.0512 127.2741 60.7159 33.0957 175.9500 114 F 5.1467 8.8274 128.6408 57.1012 37.9922 175.6927 115 D 4.9293 7.7246 112.5345 53.1003 40.1102 175.8161 116 G 3.9064 8.2574 105.7307 47.6006 0.0000 174.3587 117 S 4.4942 7.4465 113.6125 55.8259 64.4372 172.4353 118 E 3.8656 8.8473 125.1973 56.0032 27.7329 176.9741 119 G 3.9928 9.1328 116.4874 44.7599 0.0000 173.1987 120 D 4.4390 8.9223 119.5021 54.5070 39.4376 177.0608 121 A 3.9214 7.6163 119.0424 52.8039 17.1020 177.0233 122 N 4.5001 8.3626 117.9268 57.0374 39.3134 177.1613 123 T 3.7262 7.4769 106.8541 62.5168 68.7184 173.0227 124 L 4.4226 8.4913 125.3371 54.6592 41.5900 176.5097 125 K 3.9701 8.9199 130.0032 57.4813 30.5104 175.3417 126 D 4.4384 7.6435 119.1669 53.6225 39.4730 175.1540 127 G 4.1834 9.3107 113.9531 43.9392 0.0000 171.9290 128 E 4.9243 8.0502 116.7635 54.5190 32.2782 175.2248 129 N 5.0244 8.4936 114.9594 53.1624 38.7633 173.9430 130 V 4.7795 7.7410 118.9923 62.0769 34.7090 173.8343 131 L 4.8242 9.0471 128.6893 54.2606 43.1544 174.9777 132 H 5.3189 8.7843 124.7166 54.8385 31.2645 173.1651 133 Y 5.1001 8.9383 122.0459 56.5929 42.7692 174.3801 134 T 5.3314 9.0984 115.9166 61.9969 72.8672 173.3086 135 A 5.3196 9.2135 126.3862 50.5830 22.9292 175.3115 136 V 4.4914 8.6630 112.2123 59.9247 36.9970 174.0670 137 V 4.9333 9.0632 123.0929 61.3995 33.8811 174.5837 138 K 4.7048 8.4845 124.2440 55.3991 35.6141 175.0963 139 K 3.9798 8.5773 122.4046 56.7743 32.7782 176.1884 140 S 4.3507 8.1849 121.0490 57.7990 63.1035 173.6603 141 S 4.5408 8.4356 120.1628 58.3899 63.4697 173.8027 142 A 4.2119 7.7858 124.4506 52.1128 18.8179 177.4838 143 V 3.7006 8.3674 115.9680 65.4405 31.1770 176.5730 144 G 3.9171 9.2094 113.3520 44.3565 0.0000 172.2524 145 A 3.8344 8.0534 122.3636 52.7962 18.6398 176.9214 146 A 4.6039 8.2649 124.7450 50.0765 21.8065 175.9223 147 V 3.8252 8.6086 123.6490 62.8124 32.4150 175.1408 148 T 4.5725 7.9727 113.4509 60.4131 71.7888 172.1057 149 E 4.8757 9.9762 122.0369 54.3194 32.4470 175.3313 150 G 3.8977 7.3538 108.1824 44.8982 0.0000 172.4491 151 A 4.7946 8.2257 125.9139 50.1665 22.1777 174.2066 152 F 5.6919 8.7605 123.1898 57.0346 41.3209 175.1401 153 S 4.5874 8.7148 120.1947 57.3795 67.0131 173.3284 154 A 4.5169 7.9738 123.2779 50.8705 22.0548 175.6773 155 V 4.2327 8.2759 118.7841 60.7792 34.1655 174.6227 156 A 5.0654 8.5335 128.1634 50.2432 21.7161 175.1072 157 N 4.6452 9.5075 120.1213 52.5168 40.2013 174.2655 158 F 4.4624 8.8567 127.1784 56.7942 40.1265 174.0574 159 N 4.6250 8.7441 125.1135 51.8533 40.0950 174.3614 160 L 4.5297 8.4059 123.8825 53.3423 44.0175 175.7933 161 T 4.5927 8.3503 121.6220 61.9890 70.6280 173.5365 162 Y 4.9560 8.8002 123.9087 56.2482 40.4336 175.7124 163 Q 4.3390 8.5673 120.2037 56.3281 29.0276 175.3365 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 Q 8.33 4.27 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.47 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 9 G 8.34 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 10 K 8.46 4.41 0.00 1.73 1.80 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 11 V 7.73 3.90 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 0.76 0.00 0.00 0.94 0.00 0.00 12 T 7.28 4.13 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 13 F 8.28 5.05 0.00 2.81 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 14 N 7.99 3.76 0.00 2.62 2.58 0.00 0.00 6.18 8.04 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 15 N 8.84 4.10 0.00 2.65 2.90 0.00 0.00 6.84 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 T 7.85 3.75 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 1.20 0.00 0.00 17 V 8.23 3.78 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 0.77 0.00 0.00 0.94 0.00 0.00 18 V 8.00 4.31 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 0.86 0.00 0.00 0.94 0.00 0.00 19 D 8.83 4.34 0.00 2.69 2.57 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 20 A 8.24 4.67 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 21 P 0.00 4.34 0.00 1.76 1.13 0.00 3.57 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 22 C 9.47 4.88 0.00 2.98 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 23 S 8.89 4.95 0.00 3.88 3.66 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 24 I 8.59 5.54 1.80 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 1.07 0.37 1.04 0.00 0.00 25 S 8.02 4.64 0.00 3.86 3.93 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 26 Q 8.26 4.89 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.13 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 27 K 8.85 4.09 0.00 1.77 1.72 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.00 7.81 28 S 7.81 4.60 0.00 4.06 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 29 A 8.75 3.96 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 30 D 8.01 4.74 0.00 2.75 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 31 Q 8.20 3.31 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 32 S 9.06 4.65 0.00 3.74 3.71 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 33 I 7.75 4.45 1.87 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 1.47 0.82 0.91 0.00 0.00 34 D 8.47 4.59 0.00 2.71 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 35 F 8.55 4.81 0.00 3.15 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 36 G 10.31 4.03 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 0.00 0.00 0.00 37 Q 8.38 4.56 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 38 L 8.36 4.76 0.00 1.60 1.56 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.36 4.63 0.00 3.87 3.80 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 40 K 8.80 4.07 0.00 1.89 1.72 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.08 7.81 41 S 7.98 4.47 0.00 3.73 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 42 F 7.99 4.17 0.00 3.17 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 43 L 8.06 4.32 0.00 1.89 1.76 0.96 0.74 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 44 E 8.16 4.20 0.00 2.14 2.07 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 2.30 2.34 0.00 45 A 7.50 4.38 1.13 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 0.00 0.00 46 G 8.83 3.30 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 0.00 47 G 6.73 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 0.00 0.00 0.00 48 V 7.89 4.52 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 0.86 0.00 0.00 0.91 0.00 0.00 49 S 8.66 4.47 0.00 3.83 3.78 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 50 K 8.54 4.24 0.00 1.56 1.65 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.02 7.81 51 P 0.00 4.71 0.00 2.12 2.12 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 52 M 9.26 4.85 0.00 2.01 2.34 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 3.06 0.00 53 D 8.85 4.65 0.00 2.58 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 54 L 9.27 4.72 0.00 1.75 1.77 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.24 5.31 0.00 2.57 2.55 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 56 I 8.81 4.31 1.77 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.70 0.58 0.00 0.00 57 E 8.96 4.61 0.00 2.02 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 2.25 2.26 0.00 58 L 8.66 4.87 0.00 1.36 1.37 -0.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.66 4.39 2.07 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 0.98 0.00 0.00 0.91 0.00 0.00 60 N 9.10 4.49 0.00 2.94 2.98 0.00 0.00 6.78 7.66 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 61 C 7.68 4.90 0.00 3.20 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 62 D 8.60 4.50 0.00 2.79 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 63 I 8.40 4.01 1.87 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 1.41 0.56 0.91 0.00 0.00 64 T 7.90 4.10 4.49 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 1.24 0.00 0.00 65 A 8.27 4.02 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 66 F 8.45 4.20 0.00 3.31 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 67 K 7.99 3.75 0.00 1.88 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 0.98 7.81 68 G 7.89 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 *71 G 8.26 3.73 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 0.00 0.00 0.00 72 A 7.49 4.57 1.19 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 0.00 0.00 73 K 8.02 4.69 0.00 1.77 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.11 0.82 7.81 74 K 8.46 4.39 0.00 1.72 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.36 7.81 75 G 6.67 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 76 T 8.17 5.22 4.24 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 0.00 0.00 0.00 1.30 0.00 0.00 77 V 7.13 4.27 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 0.08 0.00 0.00 0.71 0.00 0.00 78 K 8.71 4.23 0.00 1.70 1.58 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.27 7.81 79 L 7.73 4.98 0.00 1.63 1.38 1.32 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.77 4.66 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.65 5.22 0.00 2.73 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 82 T 9.02 5.30 4.32 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 1.28 0.00 0.00 83 G 8.52 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 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.44 0.00 2.12 2.24 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 85 I 8.20 4.83 1.87 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 1.23 0.77 0.91 0.00 0.00 86 V 8.22 3.54 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 1.00 0.00 0.00 1.06 0.00 0.00 87 N 8.98 4.21 0.00 2.72 2.77 0.00 0.00 7.12 7.98 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 88 G 9.42 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 89 H 8.31 5.00 0.00 3.17 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.27 4.68 0.00 4.16 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 91 D 8.38 5.57 0.00 2.70 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 92 E 8.21 4.81 0.00 1.92 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 2.33 2.35 0.00 93 L 8.94 3.76 0.00 0.97 1.26 0.18 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 94 D 9.17 5.06 0.00 2.73 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 95 T 9.31 2.95 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 1.24 0.00 0.00 96 N 9.14 4.12 0.00 3.03 3.04 0.00 0.00 6.91 7.91 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 97 G 9.62 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 98 G 9.17 3.76 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 0.00 0.00 0.00 99 T 6.87 4.48 4.10 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 0.92 0.00 0.00 100 G 7.97 4.13 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 0.00 0.00 0.00 101 T 7.38 4.26 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 0.95 0.00 0.00 102 A 6.95 4.66 1.26 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 0.00 0.00 103 I 8.23 5.13 1.89 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.09 1.06 0.00 0.00 104 V 8.74 4.80 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 1.00 0.00 0.00 1.01 0.00 0.00 105 V 8.79 4.98 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 0.83 0.00 0.00 1.14 0.00 0.00 106 Q 9.76 5.03 0.00 1.66 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.37 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 107 G 9.30 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 0.00 0.00 0.00 0.00 108 A 8.55 4.18 1.26 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 0.00 0.00 109 G 8.13 4.30 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 0.00 110 K 7.87 3.84 0.00 1.69 1.74 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.46 1.07 7.81 111 N 8.51 5.00 0.00 2.69 2.78 0.00 0.00 6.95 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 0.00 112 V 8.89 3.55 1.52 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 -0.39 0.00 0.00 0.60 0.00 0.00 113 V 8.05 4.44 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 1.00 0.00 0.00 0.93 0.00 0.00 114 F 8.83 5.15 0.00 2.94 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 0.00 115 D 7.72 4.93 0.00 2.75 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 0.00 116 G 8.26 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 0.00 117 S 7.45 4.49 0.00 3.87 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 0.00 118 E 8.85 3.87 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 2.28 2.40 0.00 119 G 9.13 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 0.00 120 D 8.92 4.44 0.00 2.86 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 0.00 121 A 7.62 3.92 1.44 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 0.00 0.00 122 N 8.36 4.50 0.00 2.77 3.00 0.00 0.00 6.93 6.98 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 0.00 123 T 7.48 3.73 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 0.80 0.00 0.00 124 L 8.49 4.42 0.00 1.66 1.70 1.03 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.92 3.97 0.00 1.92 1.84 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.48 1.58 7.81 126 D 7.64 4.44 0.00 2.72 2.42 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 0.00 127 G 9.31 4.18 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 0.00 0.00 0.00 128 E 8.05 4.92 0.00 2.01 1.95 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 2.45 2.19 0.00 129 N 8.49 5.02 0.00 2.84 3.01 0.00 0.00 5.38 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 0.00 130 V 7.74 4.78 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 1.04 0.00 0.00 0.91 0.00 0.00 131 L 9.05 4.82 0.00 1.76 1.74 1.34 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.78 5.32 0.00 3.05 3.06 0.00 5.71 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.94 5.10 0.00 3.20 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 0.00 134 T 9.10 5.33 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 1.26 0.00 0.00 135 A 9.21 5.32 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 0.00 136 V 8.66 4.49 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 0.80 0.00 0.00 0.93 0.00 0.00 137 V 9.06 4.93 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 1.19 0.00 0.00 0.03 0.00 0.00 138 K 8.48 4.70 0.00 1.73 1.69 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.33 7.81 139 K 8.58 3.98 0.00 1.96 1.70 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.62 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.40 7.81 140 S 8.18 4.35 0.00 4.05 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.44 4.54 0.00 3.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.79 4.21 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 0.00 143 V 8.37 3.70 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 0.73 0.00 0.00 0.94 0.00 0.00 144 G 9.21 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 0.00 0.00 0.00 145 A 8.05 3.83 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 0.00 146 A 8.26 4.60 1.18 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 0.00 0.00 147 V 8.61 3.83 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 0.81 0.00 0.00 0.87 0.00 0.00 148 T 7.97 4.57 4.22 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 1.19 0.00 0.00 149 E 9.98 4.88 0.00 1.92 1.88 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 2.20 2.27 0.00 150 G 7.35 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 0.00 0.00 0.00 151 A 8.23 4.79 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 0.00 152 F 8.76 5.69 0.00 2.99 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 0.00 153 S 8.71 4.59 0.00 3.73 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.97 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 8.28 4.23 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 0.87 0.00 0.00 0.89 0.00 0.00 156 A 8.53 5.07 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 0.00 157 N 9.51 4.65 0.00 2.93 2.79 0.00 0.00 6.36 8.12 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 0.00 158 F 8.86 4.46 0.00 2.75 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 0.00 159 N 8.74 4.62 0.00 2.53 2.60 0.00 0.00 6.56 6.74 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 0.00 160 L 8.41 4.53 0.00 1.56 1.37 1.19 0.76 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 0.00 161 T 8.35 4.59 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 1.19 0.00 0.00 162 Y 8.80 4.96 0.00 2.82 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 0.00 163 Q 8.57 4.34 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.