NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4612 8.3349 115.3073 58.4970 63.4131 172.3602 1 L 4.4929 8.4293 115.7497 54.9113 43.5888 174.8993 2 I 5.1405 8.5603 120.1809 59.4450 40.9130 174.7489 3 R 4.6715 9.1628 125.5025 54.2557 33.9790 174.2303 4 I 4.8705 8.3255 122.4292 59.3519 40.9224 174.3099 5 G 4.5334 9.0316 114.3679 45.0005 0.0000 170.7092 6 H 5.4723 8.7597 119.6183 54.2318 33.9122 172.2328 7 G 4.4255 9.0617 111.0306 44.5871 0.0000 171.1116 8 F 5.5836 8.6405 123.6119 56.6438 42.5527 173.1749 9 D 4.5049 7.9405 123.7605 53.0486 45.8141 174.2792 10 V 4.5247 7.8780 118.9949 61.4210 35.2424 174.0715 11 H 4.7271 9.0681 126.1067 54.2109 32.3369 172.0488 12 A 4.4399 7.9843 128.1712 50.8555 19.4238 176.8682 13 F 4.6171 8.2467 122.2115 57.8649 39.8382 175.0430 14 G 4.5672 8.4257 108.8680 45.4435 0.0000 170.9595 15 E 5.0089 8.6234 114.6664 55.6605 32.9485 174.3842 16 D 5.7840 8.7957 120.5220 52.8110 44.5413 175.3808 17 R 4.8815 8.7140 116.7508 54.1314 33.3395 172.1395 18 P 4.9946 0.0000 0.0000 62.2763 32.9322 175.1075 19 L 4.8718 8.8942 121.6798 53.0783 46.0478 175.3722 20 I 4.8129 8.3518 122.9699 59.9234 38.6706 175.3722 21 I 4.4757 8.8082 128.2039 60.4564 40.3232 175.9054 22 G 4.0045 9.6969 113.8899 46.6783 0.0000 174.1668 23 G 3.8994 8.5291 104.5903 45.3122 0.0000 174.2082 24 V 4.3853 7.6705 119.3192 60.4826 34.0451 173.9285 25 E 4.8579 8.6208 127.3885 55.8302 30.5830 175.8099 26 V 4.7258 9.1349 119.5405 58.8228 36.0725 173.2693 27 P 4.8870 0.0000 0.0000 62.9052 32.8468 174.8932 28 Y 4.5869 8.9188 122.6980 56.1897 41.6330 173.3954 29 H 5.2855 8.4500 126.9373 55.4424 31.2717 174.0184 30 T 4.4182 9.4377 123.1605 63.1716 71.0612 175.3848 31 G 4.1417 8.7176 112.1288 43.9671 0.0000 172.2220 32 F 3.9086 8.5448 120.0940 58.2565 39.5735 175.1487 33 I 3.5980 7.2643 128.5070 60.6817 37.2133 175.8350 34 A 4.2429 8.3370 129.0519 53.1175 18.5828 176.7370 35 H 4.9416 8.8549 113.7717 55.2750 30.9335 172.5877 36 S 4.5392 7.6723 113.4567 58.0213 65.0097 173.5292 37 D 4.4732 8.1981 117.6206 53.6470 39.3524 177.1690 38 G 3.6166 8.0977 107.9155 46.7096 0.0000 174.9612 39 D 4.4794 8.2742 120.9038 53.2324 39.9173 176.8207 40 V 3.6030 8.0088 119.6154 63.7670 31.8725 177.7117 41 A 3.9765 7.9499 120.1872 55.1719 18.3233 179.4828 42 L 4.0318 7.8148 117.2614 57.7489 41.7339 179.2804 43 H 4.1835 8.0986 116.0835 58.8942 28.6219 177.5901 44 A 4.2841 7.9494 123.7054 54.5278 18.1236 179.3933 45 L 3.8720 7.7475 118.2728 58.5630 42.2586 179.1930 46 T 3.8698 8.4171 115.9359 66.8971 68.4245 176.1875 47 D 4.4545 8.5577 120.7875 57.2897 40.7638 178.7847 48 A 4.1980 8.1877 122.7645 54.7549 17.9226 179.7541 49 I 3.6321 8.0043 118.5374 64.6162 37.1520 178.7880 50 L 4.1563 8.2473 120.0801 57.5984 41.4069 179.8166 51 G 3.5440 8.6536 106.1221 47.4209 0.0000 175.6243 52 A 4.5619 8.2127 123.5759 54.4133 18.5372 178.8695 53 A 3.9364 7.2544 114.0946 51.1694 18.9456 176.9447 54 A 3.6838 7.6291 119.6969 53.9486 16.5388 178.1968 55 L 4.6682 8.6426 116.4302 55.5844 43.8985 179.2874 56 G 3.8596 9.9983 113.9870 45.6797 0.0000 176.4350 57 D 4.4938 8.8612 123.7063 51.9464 42.2960 176.0246 58 I 3.6542 9.1212 120.1452 64.3128 37.8037 177.8828 59 G 3.7378 8.1148 107.9613 47.7075 0.0000 174.3113 60 K 4.2645 8.3378 118.2200 57.2904 32.7153 177.9528 61 L 3.7558 7.0507 118.2709 57.5033 41.5797 178.6032 62 F 4.8448 7.5949 120.9136 55.1880 38.1737 174.6033 63 P 4.5327 0.0000 0.0000 62.8805 31.0334 178.2140 *71 N 4.7085 8.2146 116.6932 53.9592 40.6740 175.4640 72 A 4.3375 7.7538 120.6558 54.1590 19.6748 176.3852 73 D 4.4131 7.8089 114.8470 54.4068 42.4509 177.2744 74 S 4.3083 9.1381 123.5294 61.3945 62.8760 176.9552 75 R 4.1313 8.1906 120.8449 58.7620 29.7571 179.1145 76 G 3.6084 8.3604 105.8753 47.8213 0.0000 175.7149 77 L 4.0560 7.6509 121.1465 57.3626 41.6288 179.4643 78 L 4.0722 8.2586 121.8408 57.7995 41.9949 179.2898 79 R 4.0343 8.4081 118.4551 59.1278 29.8834 178.6320 80 E 3.8888 8.9939 119.3335 59.2798 29.6598 178.7549 81 A 3.9241 8.0814 120.7583 55.0552 18.4139 179.4403 82 F 4.0865 8.4470 119.1721 61.4885 39.4397 177.4542 83 R 3.7276 8.3596 118.0414 59.5295 29.6500 179.0834 84 Q 3.9168 8.0528 116.8830 58.8446 28.9802 178.7356 85 V 3.7458 7.6705 119.4229 65.7986 31.5119 177.9007 86 Q 4.0125 7.9761 121.0183 58.6101 28.6603 178.0071 87 E 4.0992 8.2433 118.3293 58.2266 29.4687 178.2947 88 K 4.4370 7.6243 116.9675 55.6277 32.7006 176.8078 89 G 3.6793 8.3153 108.4762 45.8488 0.0000 172.9594 90 Y 5.0708 7.4979 116.1633 55.9825 40.3769 174.3932 91 K 4.8490 8.9304 122.2769 54.6093 36.5663 175.2738 92 I 3.8266 8.6993 125.5932 61.6660 37.0409 175.7507 93 G 3.9846 9.5709 117.6148 47.2991 0.0000 172.9723 94 N 5.2533 7.6107 115.0280 51.0009 41.2235 172.8510 95 V 4.9352 8.9898 119.5362 61.2596 35.6386 173.7445 96 D 5.1699 8.8674 125.3437 52.7071 44.5704 173.9418 97 I 5.0565 8.9044 126.4842 59.7654 40.9636 174.7515 98 T 4.9953 9.0798 122.9718 61.8783 71.3769 173.0900 99 I 4.3484 8.9844 129.0450 60.5540 38.9297 175.3139 100 I 4.9908 8.9715 128.3708 60.0069 38.7587 174.4488 101 A 4.7193 8.5479 127.7936 49.9877 22.3347 176.4225 102 Q 4.2177 8.3477 123.2282 55.4171 28.2506 175.1530 103 A 4.9257 7.3878 121.0309 49.5665 23.2560 173.5416 104 P 4.0274 0.0000 0.0000 65.0076 30.4575 178.1348 105 K 4.1313 8.7432 117.2214 53.3017 33.3381 179.0263 *107 R 4.4415 8.5255 124.3996 54.8922 31.7309 175.6461 108 P 4.2779 0.0000 0.0000 65.2414 31.7021 176.6531 109 H 4.6255 8.0267 113.4956 56.0385 29.3372 176.7276 110 I 3.6794 7.3366 120.6169 64.8574 37.3358 176.9765 111 D 4.4497 8.2154 118.8618 57.4671 41.0183 178.7882 112 A 4.0388 7.8164 120.9291 52.4983 18.0495 179.5558 *114 R 4.1982 8.2096 120.1984 57.8987 32.3938 178.0676 115 A 3.9336 8.0585 119.4236 55.2300 18.2725 179.7755 116 K 3.8819 7.8013 116.3996 59.8296 32.1683 179.7214 117 I 3.6546 7.7319 119.2513 64.1808 37.1150 178.2200 118 A 3.9500 8.4223 122.1645 55.0181 18.1822 179.4393 119 E 3.8160 8.4200 117.4724 59.8496 29.4233 179.3233 120 D 4.3852 8.0949 117.8022 56.8197 40.9664 178.0396 121 L 3.5934 7.6088 116.5317 53.0640 42.7921 176.1546 122 Q 3.2690 7.5863 117.5852 56.6975 26.6870 171.6415 123 C 4.7107 7.6112 110.0730 56.8172 33.5154 172.7770 124 D 4.6480 9.3325 118.8118 53.1810 41.6717 177.3544 125 I 3.8871 8.2327 124.8694 63.4863 38.1200 176.7387 126 E 4.2251 8.2719 119.2172 57.7122 29.7640 176.4359 127 Q 4.5600 8.4680 116.9418 56.2627 30.2339 174.8241 128 V 4.7730 7.5148 119.7567 60.9414 33.8637 174.1700 129 N 5.0846 9.1956 126.5132 51.7188 41.9204 173.0438 130 V 4.9361 8.4424 124.9893 60.9712 34.4538 174.4330 131 K 4.8724 9.4697 126.3560 54.9911 36.2653 174.8111 132 A 5.2279 8.5044 122.1660 50.7094 22.0081 175.0126 133 T 4.7830 9.1987 115.8366 61.0977 71.8818 171.9225 134 T 4.9300 8.3521 113.2738 59.7249 72.4103 173.5969 135 T 4.2996 8.3096 108.9623 60.7269 69.4775 174.6238 136 E 3.6344 8.8535 119.0943 58.1742 27.1744 175.4304 137 K 4.1381 8.5237 112.2393 56.7357 31.1122 176.5702 138 L 4.5023 7.5113 119.3984 53.8871 43.8401 178.1745 139 G 4.1858 8.3896 110.4146 44.9280 0.0000 174.1456 140 F 4.4739 8.3548 113.0617 60.0795 37.7874 177.4005 141 T 4.4530 6.4809 111.4453 63.8169 68.9204 176.9307 142 G 3.6101 7.7973 108.3932 47.3318 0.0000 174.9682 143 R 4.4050 7.9414 117.2713 55.2365 30.5518 176.2331 144 Q 3.7381 7.8481 116.7894 57.3249 26.7944 174.2383 145 E 4.4529 8.4936 117.1491 56.3636 30.4789 176.5991 146 G 3.1507 6.7882 106.1394 45.1451 0.0000 171.1352 147 I 4.9642 7.1913 111.3246 59.2584 41.6266 173.9961 148 A 5.0994 8.8931 123.3303 51.0503 23.4127 174.4785 149 C 5.1001 8.6220 117.9630 58.1197 35.6068 172.3165 150 E 5.3952 9.3458 125.9614 54.7105 32.5833 174.3656 151 A 5.1606 8.7069 125.4616 50.8783 23.4575 175.5544 152 V 5.0286 8.7582 112.8664 59.6007 36.0250 174.7729 153 A 5.0460 9.0644 124.3675 50.2154 23.1218 174.5975 154 L 5.0195 8.7220 123.3641 53.2872 44.6281 175.0552 155 L 5.1906 9.0693 126.4724 53.1242 44.5226 175.4280 156 I 5.1022 9.1000 123.6490 59.1846 40.3818 174.9879 157 R 4.2527 9.0145 128.7752 56.0462 30.5554 176.1092 158 Q 4.2372 8.9663 127.2856 56.5826 28.6385 175.9552 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 0 S 8.33 4.46 0.00 3.89 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 1 L 8.43 4.49 0.00 1.75 1.71 0.93 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.56 5.14 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.51 0.92 0.00 0.00 3 R 9.16 4.67 0.00 1.31 1.65 0.00 3.26 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.26 0.00 4 I 8.33 4.87 1.86 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 1.28 1.46 0.90 0.00 0.00 5 G 9.03 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.76 5.47 0.00 3.17 3.08 0.00 5.62 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 7 G 9.06 4.43 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 0.00 8 F 8.64 5.58 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.94 4.50 0.00 2.46 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.88 4.52 1.84 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 0.54 0.00 0.00 0.81 0.00 0.00 11 H 9.07 4.73 0.00 3.21 3.05 0.00 5.82 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 12 A 7.98 4.44 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.25 4.62 0.00 3.03 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 14 G 8.43 4.57 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 0.00 15 E 8.62 5.01 0.00 2.00 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 2.18 2.42 0.00 16 D 8.80 5.78 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.71 4.88 0.00 1.88 2.00 0.00 2.57 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 18 P 0.00 4.99 0.00 2.11 2.10 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 1.96 2.00 0.00 19 L 8.89 4.87 0.00 1.59 1.53 0.74 0.51 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 20 I 8.35 4.81 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 1.35 0.54 0.91 0.00 0.00 21 I 8.81 4.48 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 1.25 1.03 0.92 0.00 0.00 22 G 9.70 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 0.00 0.00 0.00 23 G 8.53 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 24 V 7.67 4.39 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 0.79 0.00 0.00 0.93 0.00 0.00 25 E 8.62 4.86 0.00 2.03 1.83 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 2.28 2.49 0.00 26 V 9.13 4.73 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.05 0.00 0.00 27 P 0.00 4.89 0.00 2.10 2.07 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 28 Y 8.92 4.59 0.00 3.03 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 29 H 8.45 5.29 0.00 3.15 3.02 0.00 5.94 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 9.44 4.42 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 31 G 8.72 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 0.00 0.00 0.00 32 F 8.54 3.91 0.00 2.96 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 33 I 7.26 3.60 1.43 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.70 0.73 0.00 0.00 34 A 8.34 4.24 1.24 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 0.00 0.00 0.00 35 H 8.85 4.94 0.00 3.22 3.32 0.00 5.58 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 36 S 7.67 4.54 0.00 4.02 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.20 4.47 0.00 2.83 2.83 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 38 G 8.10 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 39 D 8.27 4.48 0.00 2.75 2.41 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 40 V 8.01 3.60 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 0.85 0.00 0.00 0.90 0.00 0.00 41 A 7.95 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.81 4.03 0.00 1.61 1.70 0.92 1.01 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 43 H 8.10 4.18 0.00 3.27 3.37 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.95 4.28 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 45 L 7.75 3.87 0.00 1.87 1.87 0.92 0.85 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 46 T 8.42 3.87 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 47 D 8.56 4.45 0.00 2.80 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 48 A 8.19 4.20 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 49 I 8.00 3.63 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.12 0.96 0.00 0.00 50 L 8.25 4.16 0.00 1.81 1.69 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.65 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.21 4.56 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 0.00 0.00 0.00 53 A 7.25 3.94 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 54 A 7.63 3.68 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.64 4.67 0.00 1.67 1.64 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 56 G 10.00 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 57 D 8.86 4.49 0.00 3.09 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 58 I 9.12 3.65 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 1.23 1.32 0.88 0.00 0.00 59 G 8.11 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 60 K 8.34 4.26 0.00 2.09 1.85 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.27 7.81 61 L 7.05 3.76 0.00 1.66 1.30 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.59 4.84 0.00 3.05 2.93 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 63 P 0.00 4.53 0.00 2.20 2.16 0.00 3.87 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 *71 N 8.21 4.71 0.00 2.68 2.97 0.00 0.00 7.04 7.35 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 72 A 7.75 4.34 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.81 4.41 0.00 2.81 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 74 S 9.14 4.31 0.00 3.88 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 75 R 8.19 4.13 0.00 2.08 2.07 0.00 3.12 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 76 G 8.36 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.65 4.06 0.00 1.98 1.79 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.26 4.07 0.00 1.82 1.93 0.94 0.75 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 79 R 8.41 4.03 0.00 2.12 2.04 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 1.85 1.82 0.00 80 E 8.99 3.89 0.00 2.02 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 1.58 2.10 0.00 81 A 8.08 3.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.45 4.09 0.00 3.10 3.24 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 0.00 83 R 8.36 3.73 0.00 2.10 1.94 0.00 3.21 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 84 Q 8.05 3.92 0.00 2.18 2.10 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 2.33 2.27 0.00 85 V 7.67 3.75 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.90 0.00 0.00 86 Q 7.98 4.01 0.00 1.35 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 87 E 8.24 4.10 0.00 2.05 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 2.40 2.45 0.00 88 K 7.62 4.44 0.00 1.98 1.85 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.43 7.81 89 G 8.32 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.50 5.07 0.00 3.23 2.81 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 91 K 8.93 4.85 0.00 1.85 1.84 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.55 7.81 92 I 8.70 3.83 1.92 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.93 0.00 0.00 93 G 9.57 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.61 5.25 0.00 2.83 2.88 0.00 0.00 5.39 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 95 V 8.99 4.94 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 1.00 0.00 0.00 0.94 0.00 0.00 96 D 8.87 5.17 0.00 2.78 2.44 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 97 I 8.90 5.06 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 1.22 0.39 0.91 0.00 0.00 98 T 9.08 5.00 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 1.23 0.00 0.00 99 I 8.98 4.35 1.88 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 1.22 0.59 0.92 0.00 0.00 100 I 8.97 4.99 1.87 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 1.17 0.76 0.85 0.00 0.00 101 A 8.55 4.72 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 0.00 102 Q 8.35 4.22 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 103 A 7.39 4.93 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 0.00 104 P 0.00 4.03 0.00 2.20 1.93 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 105 K 8.74 4.13 0.00 1.80 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 0.99 7.81 *107 R 8.53 4.44 0.00 1.87 1.99 0.00 3.15 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 108 P 0.00 4.28 0.00 1.90 2.02 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 109 H 8.03 4.63 0.00 3.19 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.34 3.68 1.92 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 0.71 0.93 0.00 0.00 111 D 8.22 4.45 0.00 2.73 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 0.00 112 A 7.82 4.04 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 *114 R 8.21 4.20 0.00 2.04 2.02 0.00 3.14 0.00 0.00 3.50 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 115 A 8.06 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.80 3.88 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.69 7.81 117 I 7.73 3.65 1.97 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 1.55 0.88 0.88 0.00 0.00 118 A 8.42 3.95 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 0.00 119 E 8.42 3.82 0.00 2.12 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 2.30 2.64 0.00 120 D 8.09 4.39 0.00 2.58 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 0.00 121 L 7.61 3.59 0.00 1.51 1.39 0.88 0.71 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 0.00 122 Q 7.59 3.27 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.20 1.87 0.00 123 C 7.61 4.71 0.00 3.22 2.81 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 0.00 124 D 9.33 4.65 0.00 2.72 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 0.00 125 I 8.23 3.89 1.85 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 1.29 1.17 0.90 0.00 0.00 126 E 8.27 4.23 0.00 2.04 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 2.31 2.42 0.00 127 Q 8.47 4.56 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 128 V 7.51 4.77 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 0.73 0.00 0.00 0.90 0.00 0.00 129 N 9.20 5.08 0.00 2.83 2.76 0.00 0.00 6.15 8.27 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 0.00 130 V 8.44 4.94 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 0.90 0.00 0.00 0.93 0.00 0.00 131 K 9.47 4.87 0.00 1.77 1.84 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.56 1.36 7.81 132 A 8.50 5.23 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 0.00 133 T 9.20 4.78 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 1.26 0.00 0.00 134 T 8.35 4.93 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 135 T 8.31 4.30 4.16 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 1.09 0.00 0.00 136 E 8.85 3.63 0.00 2.09 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 2.25 2.24 0.00 137 K 8.52 4.14 0.00 1.92 1.95 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.50 7.81 138 L 7.51 4.50 0.00 1.80 1.53 0.91 0.90 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 0.00 139 G 8.39 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 0.00 0.00 0.00 0.00 140 F 8.35 4.47 0.00 3.34 3.32 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 0.00 141 T 6.48 4.45 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 0.79 0.00 0.00 142 G 7.80 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.94 4.40 0.00 1.88 2.03 0.00 3.36 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 144 Q 7.85 3.74 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 145 E 8.49 4.45 0.00 2.21 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 2.36 2.34 0.00 146 G 6.79 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.19 4.96 1.88 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 1.07 1.11 1.02 0.00 0.00 148 A 8.89 5.10 1.24 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 0.00 0.00 0.00 149 C 8.62 5.10 0.00 2.94 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 9.35 5.40 0.00 2.25 1.81 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 2.27 2.36 0.00 151 A 8.71 5.16 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 0.00 152 V 8.76 5.03 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 0.93 0.00 0.00 0.94 0.00 0.00 153 A 9.06 5.05 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 0.00 154 L 8.72 5.02 0.00 1.77 1.61 0.99 0.51 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 0.00 155 L 9.07 5.19 0.00 1.29 1.37 0.54 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 156 I 9.10 5.10 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.92 0.96 0.00 0.00 157 R 9.01 4.25 0.00 1.80 1.82 0.00 3.33 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.27 0.00 158 Q 8.97 4.24 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.32 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.