NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8802 8.2127 109.7584 45.5407 0.0000 175.7355 *2 I 3.7753 8.7205 126.0999 60.8155 39.9392 176.2049 3 Y 3.6880 7.3784 117.4881 60.9737 37.5228 178.3479 4 S 4.2711 8.2105 116.0912 61.5302 62.8822 176.9208 5 K 3.9816 7.8781 120.7008 59.3654 31.7366 179.4477 6 V 3.6130 7.8176 118.6681 66.0788 31.5010 177.7740 7 E 4.4565 8.7011 119.9516 59.1757 29.3095 179.2797 8 N 4.4584 8.7040 116.6403 56.2421 38.4026 177.2745 9 F 4.0748 8.4416 121.1442 61.3090 39.9469 176.9088 10 I 4.0235 8.4612 119.7146 64.6080 36.7631 178.0738 11 N 4.4164 8.2517 115.9208 56.6019 38.4916 177.0209 12 E 4.1641 8.3291 118.7684 58.4332 29.6793 177.6770 13 N 4.9076 7.5307 114.6254 52.7042 39.4513 176.5387 14 K 4.0434 7.9990 122.5738 59.1401 32.5552 178.6811 15 Q 3.9947 8.1330 118.9387 58.4520 29.3703 176.2585 16 N 4.6204 8.2629 114.2523 52.6458 38.8242 173.5361 17 A 4.8637 7.4849 119.7015 50.2209 21.5599 177.3041 18 I 4.4114 7.9635 120.7489 59.5394 40.2449 174.9443 19 F 5.8187 9.0011 124.3196 56.4060 43.2000 175.7507 20 T 4.0125 8.3852 112.7672 62.0618 68.3462 176.3917 21 E 4.6174 8.5807 114.0721 54.1464 33.6738 176.2760 22 G 3.9193 8.7371 108.0717 46.1108 0.0000 172.8325 23 A 4.5368 8.3781 126.0409 50.3790 20.0106 177.8428 24 S 4.1312 8.1968 114.9870 58.0431 64.1665 174.7373 25 H 3.9637 8.8471 121.3130 59.6670 29.4230 177.3506 26 E 3.8659 8.0328 119.6151 59.6327 29.3753 179.0354 27 N 4.1586 8.0448 116.3494 56.0214 38.3832 177.6777 28 I 3.6850 7.7436 121.6395 64.2123 37.0850 178.6024 29 G 3.5764 8.1123 106.7328 47.8385 0.0000 175.9306 30 R 3.9171 8.0873 120.2990 58.9719 29.9703 179.0928 31 I 3.7295 7.7039 119.6068 64.5683 37.1945 178.3102 32 E 4.1574 8.0454 120.5891 58.8134 29.3344 179.1555 33 E 3.9086 8.4553 119.5567 59.4566 29.5469 178.6541 34 N 4.3901 8.3025 115.6471 55.9817 38.7126 176.7015 35 L 4.2221 8.1471 118.1035 54.0987 42.5936 176.1992 36 Q 3.4424 7.8377 119.1022 57.0388 27.7722 173.1004 37 C 4.8578 7.9304 112.4857 57.8426 32.4193 173.7124 38 D 4.8711 8.6577 123.6311 53.9293 41.3024 176.0557 39 L 4.6526 8.7404 124.5227 52.7126 43.4650 175.5596 40 P 4.6860 0.0000 0.0000 62.5584 33.4197 177.2676 41 N 4.4324 9.1974 117.9289 56.8240 38.5425 178.0595 42 S 4.9143 8.8599 116.6398 60.9428 63.0438 175.8229 43 Y 3.9586 8.2280 123.1150 60.2900 38.5889 177.2945 44 K 3.8218 8.4063 119.6273 58.9841 32.1375 178.9138 45 W 4.0874 8.7080 129.0607 60.5497 30.5387 177.8056 46 F 3.9359 8.4944 120.0508 61.2220 38.7883 177.0505 47 L 3.6286 7.9571 118.9743 57.7359 41.2803 179.4315 48 E 3.8583 8.0340 118.6039 58.8107 29.0968 179.1533 49 K 3.3463 7.0790 118.3573 58.3770 32.1557 177.4903 50 Y 4.1083 7.3339 115.5123 57.2274 39.5377 176.1098 51 G 3.8640 9.3567 112.0202 44.9713 0.0000 172.4315 52 A 4.8397 7.7556 117.8551 51.3279 23.5267 174.4777 53 G 4.2166 9.1727 104.9684 45.4380 0.0000 172.3843 54 G 4.5266 6.5740 106.4890 45.8378 0.0000 170.6904 55 L 4.8626 7.4554 119.0162 53.9214 46.2284 176.3514 56 F 3.4192 7.1099 120.4582 59.2229 38.0427 177.4918 57 G 3.8624 9.0190 118.1736 47.1702 0.0000 174.1501 58 V 4.0882 7.7935 122.1025 61.0474 29.9112 172.1332 59 L 5.1355 8.0636 121.0573 52.5231 43.8252 175.5482 60 V 4.6175 8.8930 125.2960 61.2958 33.3161 175.5966 61 L 4.6123 9.1764 128.0313 53.6817 42.7180 178.9822 62 G 4.3760 8.2062 113.3550 46.6435 0.0000 174.6449 63 Y 4.7256 9.3694 126.1350 55.5349 41.3711 175.1285 64 N 4.5024 7.3415 121.8055 51.8368 39.0325 174.0293 65 F 4.3047 7.9931 124.1821 57.6709 37.7552 176.7690 66 D 4.9882 7.6984 114.3433 53.0619 40.8081 174.0680 67 H 4.5348 7.2007 113.1458 53.8678 31.4919 172.6100 68 A 4.6002 8.1128 122.9214 50.1233 19.3144 177.1846 69 S 4.1124 8.5630 119.7344 62.2420 62.9732 177.1398 70 V 3.6253 7.9242 122.6722 64.7226 31.0080 178.6740 71 V 3.6040 7.7578 118.5389 65.5389 31.5087 177.4026 72 N 4.3151 8.3126 116.3691 56.6214 38.4491 177.4299 73 R 4.0558 8.3377 120.1192 59.4581 30.0815 178.4324 74 T 3.8294 7.9676 115.6810 66.9292 68.4315 176.2389 75 N 4.3326 8.5115 118.5181 56.1086 38.5145 176.9649 76 E 3.9698 8.3035 120.8148 59.7944 29.6852 178.6848 77 Y 4.0841 8.4710 116.6631 60.9549 37.6645 178.5277 78 K 3.9361 8.2962 119.1535 59.3530 32.1951 178.8322 79 E 4.0879 8.3191 118.2502 58.3016 29.6182 177.6951 80 H 4.6554 7.9605 113.1328 55.2854 30.5884 174.0802 81 Y 4.8969 7.4619 117.4581 57.4712 39.3936 176.1366 82 G 4.1412 8.6058 105.9814 46.2071 0.0000 174.1284 83 L 2.6094 7.1268 118.5247 54.1881 42.6209 177.1633 84 T 3.9600 7.5234 122.3158 63.4575 69.0405 173.3854 85 D 4.5353 8.5890 125.5144 56.2911 41.4340 176.9202 86 G 4.1093 8.9702 111.1066 46.2240 0.0000 173.1636 87 L 4.7139 7.3456 119.5455 53.9575 42.7030 176.3018 88 V 4.2243 8.2047 121.9744 60.8115 34.3144 174.6610 89 V 4.1223 8.5701 129.8418 62.9560 31.3644 175.5424 90 I 4.3684 8.8246 121.6444 60.9480 39.9636 174.9740 91 E 4.8997 7.8653 124.2075 54.9395 33.1657 172.7555 92 D 4.9029 8.7528 126.8991 52.2105 42.5713 176.3284 93 V 4.1434 7.8950 128.5415 62.6462 32.1610 175.9452 94 D 4.8947 8.2960 123.9408 54.2796 40.0637 175.0897 95 Y 4.6973 7.5203 112.9210 57.6903 40.6829 174.9704 96 F 5.4696 7.6985 112.9951 55.7640 41.8588 172.7090 97 A 4.8131 9.3252 120.4547 50.2012 22.5220 174.7041 98 Y 5.1388 8.4252 118.1277 57.5133 39.7127 174.7550 99 C 5.1994 9.0591 120.7575 57.8362 33.2174 173.0029 100 L 4.5835 8.6424 122.6064 54.2686 42.9195 175.8750 101 D 5.2660 8.8636 125.4124 53.3410 40.2884 176.5108 102 T 4.2333 8.7309 113.7106 62.9211 69.0662 175.8410 103 N 4.4737 8.8391 120.5962 55.0316 38.8899 174.5323 104 K 4.3542 7.8441 118.1220 54.1301 33.9845 175.6308 *106 K 3.9695 8.3174 124.1449 57.4452 33.0478 174.6720 107 D 4.3212 9.7666 123.3116 55.4219 39.7845 174.3126 108 G 4.0307 8.4265 102.9875 45.3642 0.0000 173.3696 109 E 5.0819 8.1412 117.9247 54.4270 33.1515 174.5440 110 C 5.2479 8.1702 114.5151 55.7696 33.9141 171.4818 111 P 4.6138 0.0000 0.0000 62.8113 33.0506 174.7368 112 V 4.7055 8.4472 120.4996 61.5991 33.1248 175.1095 113 V 4.9159 8.8533 120.3731 59.4794 36.2036 173.8864 114 E 4.8456 9.0811 124.1320 54.8732 31.2714 174.5585 115 W 4.9872 9.3424 135.0000 55.5949 32.4484 174.0260 116 D 4.8579 8.6050 128.8285 53.9303 41.2266 177.4476 117 R 3.9825 8.8883 125.1165 58.9726 30.1490 178.0943 118 V 4.0148 8.2465 117.4248 64.4118 32.2643 176.4073 119 I 4.1334 8.1534 109.8535 59.8139 38.8759 177.6112 120 G 2.1916 7.5966 110.0739 45.7934 0.0000 174.0634 121 Y 4.4172 7.8030 126.5345 57.9110 40.3785 174.2612 122 Q 4.7148 8.3929 125.4749 56.1410 30.9891 179.2710 123 D 4.6085 7.9000 128.4294 55.4841 42.1967 174.4311 124 T 4.6497 8.5035 118.9236 63.2144 68.7542 174.9356 125 V 4.4141 8.9209 119.8565 61.8371 33.6139 175.8215 126 A 4.6767 7.6559 120.1885 51.1359 22.2301 176.6544 127 D 4.7018 9.3442 119.2770 54.9778 41.6563 177.3870 128 S 4.9831 7.4351 114.6941 56.4793 66.7395 174.8031 129 F 4.0744 8.8956 124.9424 61.8624 39.0743 177.3824 130 I 3.5652 7.6989 118.1228 63.7675 37.7139 177.4619 131 E 3.8961 8.1188 120.2574 59.0727 29.4855 178.4515 132 F 3.9823 8.0360 120.6220 61.2431 39.4153 176.8549 133 F 3.9238 8.1346 120.2944 61.4062 39.2277 176.4222 134 Y 4.0035 8.1534 119.3736 60.7252 38.5784 177.7526 135 N 3.9290 8.0241 117.3298 56.1718 38.5448 177.6471 136 K 3.7902 7.6849 120.1378 59.1637 32.0461 179.5396 137 I 3.7315 7.4735 113.5588 63.8654 37.4972 178.3970 138 Q 3.6806 7.3916 119.7091 58.6657 28.3304 178.5345 139 E 3.8290 7.9699 119.3074 59.3538 29.6086 179.3251 140 A 4.0115 8.2007 121.0163 54.8897 18.3255 179.5284 141 K 3.2035 8.0531 118.1954 59.6726 32.0688 178.8140 142 D 4.2304 7.4944 117.6285 57.2921 40.7094 178.1848 143 D 4.1121 7.3977 118.7025 55.9571 40.8846 177.7489 144 W 4.6889 7.2938 116.0378 56.2528 32.1332 175.8227 145 D 4.7405 8.1436 120.6959 53.5058 41.1949 175.5473 146 E 4.1385 7.7036 115.6222 55.7602 30.9660 178.5791 147 D 4.5009 8.3522 122.8519 54.3564 41.6434 177.1687 148 E 3.9970 8.2977 118.1324 55.7153 30.3128 177.4412 149 D 4.3513 8.2991 122.3574 53.3124 41.5502 176.7329 150 W 4.5556 8.0590 121.3732 56.5466 29.8335 176.2503 151 D 4.6284 8.9990 119.4307 55.0738 40.2259 176.7352 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 G 8.21 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 *2 I 8.72 3.78 1.63 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.17 0.31 0.00 0.00 3 Y 7.38 3.69 0.00 2.94 2.47 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 4 S 8.21 4.27 0.00 3.90 3.97 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 0.00 0.00 0.00 5 K 7.88 3.98 0.00 1.53 1.60 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.46 7.81 6 V 7.82 3.61 2.39 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 1.74 0.00 0.00 0.72 0.00 0.00 7 E 8.70 4.46 0.00 2.43 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 0.00 2.80 3.09 0.00 8 N 8.70 4.46 0.00 3.05 2.98 0.00 0.00 6.69 8.96 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 9 F 8.44 4.07 0.00 3.38 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.46 4.02 2.26 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 1.84 1.46 1.13 0.00 0.00 11 N 8.25 4.42 0.00 2.93 2.95 0.00 0.00 7.14 7.19 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 12 E 8.33 4.16 0.00 1.92 1.93 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 2.36 2.49 0.00 13 N 7.53 4.91 0.00 2.62 2.65 0.00 0.00 6.57 7.09 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 14 K 8.00 4.04 0.00 2.08 1.85 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.64 1.62 7.81 15 Q 8.13 3.99 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.22 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 16 N 8.26 4.62 0.00 2.43 1.86 0.00 0.00 6.62 7.74 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 17 A 7.48 4.86 1.09 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 0.00 0.00 18 I 7.96 4.41 1.72 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 1.16 0.63 0.89 0.00 0.00 19 F 9.00 5.82 0.00 2.96 2.84 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 20 T 8.39 4.01 2.84 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 1.08 0.00 0.00 21 E 8.58 4.62 0.00 1.98 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 2.05 2.23 0.00 22 G 8.74 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 23 A 8.38 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.20 4.13 0.00 4.08 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 25 H 8.85 3.96 0.00 3.12 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.03 3.87 0.00 2.01 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 2.37 2.45 0.00 27 N 8.04 4.16 0.00 2.25 1.69 0.00 0.00 7.08 7.05 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 28 I 7.74 3.69 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.53 0.81 0.00 0.00 29 G 8.11 3.58 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 0.00 0.00 0.00 30 R 8.09 3.92 0.00 2.01 2.00 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 31 I 7.70 3.73 2.06 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 1.63 0.86 0.98 0.00 0.00 32 E 8.05 4.16 0.00 2.16 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 2.43 2.35 0.00 33 E 8.46 3.91 0.00 2.05 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 2.30 2.39 0.00 34 N 8.30 4.39 0.00 2.81 2.88 0.00 0.00 7.11 7.76 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 35 L 8.15 4.22 0.00 1.71 1.71 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.84 3.44 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 37 C 7.93 4.86 0.00 3.00 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 38 D 8.66 4.87 0.00 2.69 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 39 L 8.74 4.65 0.00 1.80 1.77 1.04 1.45 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 40 P 0.00 4.69 0.00 2.57 2.26 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 41 N 9.20 4.43 0.00 3.03 3.05 0.00 0.00 7.06 7.40 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 42 S 8.86 4.91 0.00 4.40 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 43 Y 8.23 3.96 0.00 2.82 3.07 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 44 K 8.41 3.82 0.00 2.04 1.83 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.71 7.81 45 W 8.71 4.09 0.00 3.27 3.64 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 46 F 8.49 3.94 0.00 3.65 3.11 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 47 L 7.96 3.63 0.00 1.59 1.44 0.63 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.03 3.86 0.00 1.86 1.74 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 2.18 2.31 0.00 49 K 7.08 3.35 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.30 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 0.58 7.81 50 Y 7.33 4.11 0.00 1.91 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 0.00 0.00 0.00 51 G 9.36 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 52 A 7.76 4.84 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 53 G 9.17 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 0.00 0.00 0.00 0.00 54 G 6.57 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 55 L 7.46 4.86 0.00 1.77 1.29 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 56 F 7.11 3.42 0.00 3.29 2.33 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 57 G 9.02 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 58 V 7.79 4.09 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 1.00 0.00 0.00 0.99 0.00 0.00 59 L 8.06 5.14 0.00 1.61 1.64 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.89 4.62 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 0.97 0.00 0.00 1.19 0.00 0.00 61 L 9.18 4.61 0.00 1.61 1.66 0.98 0.82 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 62 G 8.21 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 0.00 0.00 0.00 0.00 63 Y 9.37 4.73 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 64 N 7.34 4.50 0.00 2.20 2.48 0.00 0.00 6.98 7.69 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 65 F 7.99 4.30 0.00 3.24 3.25 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 0.00 0.00 0.00 66 D 7.70 4.99 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 7.20 4.53 0.00 3.32 3.31 0.00 5.22 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.11 4.60 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.56 4.11 0.00 4.09 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 70 V 7.92 3.63 2.32 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 0.98 0.00 0.00 1.07 0.00 0.00 71 V 7.76 3.60 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 1.18 0.00 0.00 0.99 0.00 0.00 72 N 8.31 4.32 0.00 2.96 2.89 0.00 0.00 6.71 7.23 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 73 R 8.34 4.06 0.00 2.07 1.93 0.00 3.22 0.00 0.00 3.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 74 T 7.97 3.83 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 1.19 0.00 0.00 75 N 8.51 4.33 0.00 2.83 3.03 0.00 0.00 6.72 7.73 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 76 E 8.30 3.97 0.00 2.23 2.33 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 2.36 2.41 0.00 77 Y 8.47 4.08 0.00 3.15 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 78 K 8.30 3.94 0.00 1.81 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.62 7.81 79 E 8.32 4.09 0.00 1.73 1.68 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 2.24 2.37 0.00 80 H 7.96 4.66 0.00 2.30 2.37 0.00 5.60 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 81 Y 7.46 4.90 0.00 2.99 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 G 8.61 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 83 L 7.13 2.61 0.00 1.40 1.43 -0.35 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.52 3.96 4.29 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 1.31 0.00 0.00 85 D 8.59 4.54 0.00 2.67 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 86 G 8.97 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 0.00 0.00 0.00 87 L 7.35 4.71 0.00 1.63 1.39 1.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.20 4.22 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 0.87 0.00 0.00 0.88 0.00 0.00 89 V 8.57 4.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.42 0.00 0.00 90 I 8.82 4.37 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.04 0.36 0.00 0.00 91 E 7.87 4.90 0.00 2.28 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 2.36 2.62 0.00 92 D 8.75 4.90 0.00 2.71 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 93 V 7.89 4.14 0.67 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 0.69 0.00 0.00 0.52 0.00 0.00 94 D 8.30 4.89 0.00 2.85 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 95 Y 7.52 4.70 0.00 3.03 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 96 F 7.70 5.47 0.00 3.15 3.08 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 97 A 9.33 4.81 0.67 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 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.43 5.14 0.00 2.90 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 99 C 9.06 5.20 0.00 2.70 2.67 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 0.00 0.00 0.00 0.00 100 L 8.64 4.58 0.00 1.39 1.49 0.27 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.86 5.27 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.73 4.23 4.41 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 1.21 0.00 0.00 103 N 8.84 4.47 0.00 3.01 2.94 0.00 0.00 6.73 7.83 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 0.00 104 K 7.84 4.35 0.00 1.93 1.77 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.49 7.81 *106 K 8.32 3.97 0.00 1.83 1.74 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.45 7.81 107 D 9.77 4.32 0.00 2.79 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 0.00 108 G 8.43 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 0.00 109 E 8.14 5.08 0.00 1.98 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 2.29 2.39 0.00 110 C 8.17 5.25 0.00 3.18 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 0.00 111 P 0.00 4.61 0.00 2.18 2.26 0.00 3.90 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 2.14 2.03 0.00 112 V 8.45 4.71 1.78 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 0.28 0.00 0.00 0.76 0.00 0.00 113 V 8.85 4.92 1.74 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 0.65 0.00 0.00 0.59 0.00 0.00 114 E 9.08 4.85 0.00 2.05 1.78 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 2.16 1.74 0.00 115 W 9.34 4.99 0.00 3.38 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 0.00 116 D 8.61 4.86 0.00 2.66 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.89 3.98 0.00 1.64 1.70 0.00 2.71 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.54 0.00 118 V 8.25 4.01 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 0.84 0.00 0.00 0.98 0.00 0.00 119 I 8.15 4.13 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.87 0.00 0.00 120 G 7.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 7.80 4.42 0.00 3.10 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 0.00 122 Q 8.39 4.71 0.00 2.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 123 D 7.90 4.61 0.00 2.60 2.61 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 0.00 124 T 8.50 4.65 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 1.26 0.00 0.00 125 V 8.92 4.41 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 0.81 0.00 0.00 1.02 0.00 0.00 126 A 7.66 4.68 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 0.00 127 D 9.34 4.70 0.00 2.79 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 0.00 128 S 7.44 4.98 0.00 4.22 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 0.00 129 F 8.90 4.07 0.00 3.21 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 0.00 130 I 7.70 3.57 1.95 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 0.99 1.24 0.71 0.00 0.00 131 E 8.12 3.90 0.00 2.10 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 0.00 2.30 2.31 0.00 132 F 8.04 3.98 0.00 3.04 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 0.00 133 F 8.13 3.92 0.00 2.36 2.85 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 0.00 134 Y 8.15 4.00 0.00 2.94 2.85 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 0.00 135 N 8.02 3.93 0.00 2.66 2.63 0.00 0.00 7.07 6.75 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 0.00 136 K 7.68 3.79 0.00 1.33 1.56 0.00 0.61 0.00 0.00 1.06 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.09 0.79 7.81 137 I 7.47 3.73 1.93 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.26 0.35 0.00 0.00 138 Q 7.39 3.68 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 1.27 1.29 0.00 139 E 7.97 3.83 0.00 2.13 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 2.20 0.00 140 A 8.20 4.01 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 0.00 141 K 8.05 3.20 0.00 2.21 2.15 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.59 7.81 142 D 7.49 4.23 0.00 2.77 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 0.00 143 D 7.40 4.11 0.00 2.31 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 0.00 0.00 0.00 144 W 7.29 4.69 0.00 2.73 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 0.00 145 D 8.14 4.74 0.00 2.81 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 0.00 146 E 7.70 4.14 0.00 2.03 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 0.00 2.23 1.90 0.00 147 D 8.35 4.50 0.00 2.47 2.39 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 0.00 148 E 8.30 4.00 0.00 1.98 1.74 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 2.23 1.91 0.00 149 D 8.30 4.35 0.00 2.57 2.61 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 0.00 150 W 8.06 4.56 0.00 3.29 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 0.00 151 D 9.00 4.63 0.00 2.75 2.66 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 * Residues marked with a * may have inaccurate shift predictions.