NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6059 8.1633 118.1988 55.3051 31.5375 177.0250 2 S 3.8856 7.2609 116.1406 58.3054 64.0882 172.9225 3 Q 4.9107 8.4741 124.6718 55.1800 30.1014 175.2256 4 S 4.6026 7.5896 114.0373 59.2404 68.4679 176.8088 5 N 4.6138 8.0092 117.2044 55.8428 38.6527 177.2479 6 R 3.9456 7.4147 119.1825 59.8335 29.9742 178.1103 7 E 4.0846 8.2054 117.9911 58.6624 29.5714 178.2927 8 L 3.9873 7.5622 119.5336 58.0093 42.2230 178.5337 9 V 4.0126 8.4356 118.7932 66.3148 31.4321 177.9994 10 V 3.8275 7.8023 118.5514 65.2291 30.8535 177.5063 11 D 4.3218 7.9572 118.7845 56.8928 41.1314 177.9216 12 F 4.0212 8.6560 121.2259 61.4952 39.1772 177.1415 13 L 4.3037 9.0856 118.5361 58.0146 41.5661 179.3422 14 S 4.2959 8.4032 115.6239 61.4746 62.7290 175.6027 15 Y 3.8936 8.4440 122.4041 61.0691 38.2282 178.5566 16 K 3.7725 7.9126 118.9522 58.3991 32.7340 177.9803 17 L 4.4260 8.5706 118.6590 54.9694 41.9539 177.7066 18 S 4.0518 8.6974 114.1743 59.2109 61.3912 178.1059 19 Q 2.5377 5.7400 119.4288 57.9435 32.5227 176.6017 20 K 3.9132 8.3223 119.2244 59.2448 30.6045 180.5896 21 G 3.6130 6.1742 104.2333 46.6955 0.0000 172.5152 22 Y 4.8484 7.6995 122.1535 57.2798 41.8187 174.4455 23 S 4.1359 8.5417 119.2154 60.2134 63.8468 172.5485 24 W 4.0232 7.7035 112.6313 56.8850 31.2725 171.1083 *82 P 4.1829 0.0000 0.0000 61.2064 32.5160 175.7747 83 M 3.1223 7.3600 116.7199 56.4482 32.2297 178.2907 84 A 3.9393 8.0131 120.1517 55.1280 18.9499 179.5632 85 A 3.8800 7.8989 118.8083 55.3595 18.6022 179.4086 86 V 3.4683 7.7595 116.2030 66.3077 31.1633 177.9570 87 K 3.7944 7.9709 116.6574 59.6014 32.1842 178.6307 88 Q 3.8588 7.7126 119.2597 59.2897 28.8800 177.9472 89 A 3.8683 7.9429 121.6150 55.5556 18.3010 179.3922 90 L 3.9187 7.8471 118.4011 57.9061 42.0145 179.2277 91 R 3.7255 7.9210 118.3150 59.3075 29.8812 178.3109 92 E 3.9218 8.1689 117.3031 59.9157 29.4402 179.4118 93 A 3.9136 8.0238 120.2566 54.8018 18.3529 180.0669 94 G 3.8544 8.1987 104.7158 48.2439 0.0000 175.8829 95 D 4.4338 8.4711 122.2983 57.0824 41.0150 178.2619 96 E 4.1055 9.0819 120.5489 59.4154 29.4853 178.8250 97 F 4.4319 8.3397 120.2128 61.3797 39.4410 177.3800 98 E 4.4064 8.4050 116.9090 59.5040 29.2469 178.6152 99 L 4.0399 8.4384 120.6006 57.7339 42.2651 178.2471 100 R 3.8588 7.5518 118.6007 58.2072 31.3786 176.1649 101 Y 4.5973 7.3394 117.2522 56.2015 37.3781 175.5636 102 R 4.4780 7.9160 120.4494 56.5632 30.1430 179.3443 103 R 4.2265 8.0976 115.6086 57.3730 29.2677 177.1009 104 A 3.9511 9.3876 117.9672 52.1803 17.3935 177.7491 105 F 3.7390 8.2423 112.5511 58.5043 36.8312 177.6967 106 S 4.2110 8.9881 120.0227 61.9781 62.7407 176.7176 107 D 4.4957 8.3354 119.7360 57.3718 40.6167 178.3173 108 L 4.5069 7.9074 115.6267 55.1374 42.3611 178.2874 109 T 4.5653 7.4897 113.3408 63.3393 67.8727 173.9870 110 S 4.7705 8.3045 119.9646 59.6897 70.0800 176.1602 111 Q 3.9104 7.4569 119.1439 58.9716 28.5755 177.1371 112 L 3.9248 8.6693 119.7930 56.6801 43.3162 176.4383 113 H 4.8446 9.3488 108.3441 55.1378 28.3627 171.3820 114 I 3.2310 8.4042 121.1885 60.8301 35.7489 171.5116 115 T 3.9355 7.8194 117.5986 62.9580 69.0783 172.7213 116 P 4.3505 0.0000 0.0000 62.6375 30.0940 175.9399 117 G 3.7346 8.2549 114.1621 46.1609 0.0000 170.6194 118 T 4.2218 7.3552 113.9535 62.6870 70.8876 173.7770 119 A 4.8255 8.2633 123.6508 50.6524 21.6994 176.6249 120 Y 4.4088 8.9753 123.2451 61.2915 38.7610 178.7295 121 Q 4.0389 8.2929 118.1483 58.8067 28.4739 179.0141 122 S 4.0377 8.2726 113.9284 61.8190 62.8128 175.2049 123 F 4.2602 8.4318 122.7105 61.2725 39.0550 176.0145 124 E 3.5012 8.6820 118.5460 59.6688 29.2278 179.3341 125 Q 3.8911 7.6316 118.2009 59.4640 29.2151 177.8998 126 V 3.6159 8.3551 120.1585 64.7544 31.5554 177.8820 127 V 3.0047 7.1302 117.0329 66.2853 31.4373 177.7055 128 N 4.2587 7.9169 115.7017 56.7460 38.1736 176.9850 129 E 3.8891 8.6029 119.5417 59.1589 29.5619 178.7796 130 L 3.8288 7.4285 119.3819 58.2419 42.3228 178.6160 131 F 4.5638 7.7205 114.7420 58.4561 38.8707 176.9099 132 R 3.6840 7.6979 116.8138 59.8734 29.7880 177.0055 133 D 4.6734 7.6221 119.9758 56.8775 41.7749 177.7598 134 G 4.1757 7.3286 108.0607 46.0441 0.0000 172.8740 135 V 4.5593 8.2088 123.3766 60.5221 34.5895 173.9397 136 N 4.8416 8.3312 122.9795 50.4980 41.5103 175.5342 137 W 4.4574 8.7046 120.0189 59.6779 29.0430 178.8794 138 G 3.7799 8.4188 105.3743 48.1841 0.0000 175.7821 139 R 3.9069 9.7450 121.1985 58.2623 29.9340 179.2435 140 I 4.1681 7.6125 120.0105 64.2663 37.2500 178.4583 141 V 3.8557 8.2557 113.2573 64.5733 31.0385 177.9161 142 A 3.6525 7.4638 119.7905 55.3359 17.9754 179.1110 143 F 4.0954 8.0512 117.9661 61.7771 39.4184 177.6348 144 F 3.5360 8.2500 116.8690 60.4274 38.7093 177.5006 145 S 4.5476 9.0277 115.5612 62.0833 62.8207 176.8443 146 F 4.4860 9.7621 123.9659 61.2677 39.1108 177.1003 147 G 3.8779 8.4837 105.8168 47.9793 0.0000 175.6522 148 G 3.7318 8.5483 108.1871 47.5318 0.0000 175.3439 149 A 3.6734 7.9917 124.1259 54.7451 18.1075 179.5855 150 L 3.7492 7.7397 118.5520 58.3297 42.3149 178.7170 151 C 4.1161 8.1428 118.7902 62.4649 31.4145 175.4069 152 V 3.5775 8.5997 120.8663 66.0260 30.8649 177.0301 153 E 3.6115 8.9690 116.0674 59.4463 28.9982 181.1195 154 S 3.8194 7.7056 114.4576 63.0746 64.2241 175.7976 155 V 3.5305 8.1995 121.2864 63.7874 30.9228 177.6992 156 D 4.4040 8.1216 118.9130 56.1948 40.0059 179.0409 157 K 4.1230 8.5357 119.8009 58.0929 31.9006 177.8584 158 E 4.2816 9.3487 118.3569 57.6558 29.7151 178.1192 159 M 3.9508 7.6658 118.6195 58.3759 32.5999 177.7390 160 Q 3.9598 7.5598 116.7039 59.2025 28.4275 179.3640 161 V 3.4646 7.1809 118.5020 64.5282 31.6159 177.8143 162 L 3.7129 7.3217 121.2486 57.6523 41.8142 178.8522 163 V 3.4614 7.6952 117.7120 66.9132 31.3131 177.3632 164 S 3.9625 8.0511 113.8356 61.8187 62.7369 177.1134 165 R 3.5898 8.5401 120.3252 59.6028 29.8767 178.9721 166 I 3.2686 7.6803 117.9081 63.3657 37.8690 177.8937 167 A 3.9594 8.3326 122.1699 55.2272 18.1549 178.8155 168 A 3.9337 8.3403 119.4481 55.5646 18.4770 179.8637 169 W 4.5910 8.3777 115.7379 60.2649 29.2378 178.8600 170 M 4.0970 8.1202 118.1020 58.4284 31.7406 178.3298 171 A 4.0812 7.9752 120.8335 56.1447 18.4232 179.3645 172 T 3.8269 8.4362 114.1362 66.8015 68.7017 175.9286 173 Y 3.7521 8.1805 121.1335 61.2814 38.6588 177.9232 174 L 4.3262 7.9695 120.0295 56.6726 41.6654 178.3386 175 N 4.2153 8.2479 118.9348 56.4786 38.7903 176.7556 176 D 4.5586 8.0429 119.0947 56.5317 41.5671 177.4044 177 H 4.6027 7.5757 113.5278 57.3627 30.3832 176.6462 178 L 4.3550 7.6662 119.5244 56.8313 41.8316 178.7196 179 E 4.0519 8.3737 119.1539 58.9816 29.4146 177.1096 180 P 4.2156 0.0000 0.0000 65.8370 31.2027 178.3292 181 W 3.9862 8.0835 125.5089 60.3620 30.9122 177.3819 182 I 3.8372 8.6444 119.0699 64.2314 37.1036 177.9862 183 Q 3.8735 8.3922 119.2825 58.7800 28.4262 177.9427 184 E 4.0071 7.7497 118.1395 57.4639 30.7562 176.3135 185 N 4.6344 6.8518 114.0150 52.4473 38.6575 174.2316 186 G 4.7677 7.6698 112.9553 46.5593 0.0000 171.7454 187 G 3.7279 7.5265 103.9896 43.4786 0.0000 173.5692 188 W 4.4643 8.7333 117.2239 59.6307 28.6660 177.9873 189 D 4.5658 8.1854 118.2271 57.3385 40.5849 178.3577 190 T 4.0579 8.2866 116.8018 67.2887 68.4609 175.6930 191 F 4.2872 8.6527 120.9409 62.1534 38.8963 177.0081 192 V 3.4779 8.5988 118.2541 65.1563 30.8476 178.1563 193 E 4.0147 8.1787 119.0701 59.7643 29.7975 178.0127 194 L 4.2983 8.4196 119.7641 57.0557 41.5480 178.0400 195 Y 3.9501 7.9285 116.4023 58.2792 37.8886 175.6664 196 G 4.0214 7.9324 110.8114 45.0433 0.0000 174.0001 *197 N 4.6800 8.3975 121.9883 52.0285 36.3905 172.9698 *198 N 4.7580 7.2346 109.1349 50.7624 39.8795 177.0922 199 A 4.0795 8.3285 117.8183 55.8859 19.6327 177.4135 200 A 4.0408 7.8867 121.2039 52.7841 18.7225 177.0694 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 1 M 8.16 4.61 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 2 S 7.26 3.89 0.00 4.00 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 3 Q 8.47 4.91 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 7.59 4.60 0.00 3.98 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 5 N 8.01 4.61 0.00 2.79 2.95 0.00 0.00 6.62 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 6 R 7.41 3.95 0.00 2.05 2.06 0.00 3.19 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 7 E 8.21 4.08 0.00 2.11 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 2.41 2.39 0.00 8 L 7.56 3.99 0.00 2.23 1.95 0.95 0.94 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 9 V 8.44 4.01 2.24 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 1.14 0.00 0.00 1.19 0.00 0.00 10 V 7.80 3.83 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.99 0.00 0.00 11 D 7.96 4.32 0.00 2.88 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 12 F 8.66 4.02 0.00 3.08 3.29 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 13 L 9.09 4.30 0.00 1.88 1.84 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.40 4.30 0.00 4.10 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 15 Y 8.44 3.89 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 16 K 7.91 3.77 0.00 1.66 1.80 0.00 1.81 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.53 1.49 7.81 17 L 8.57 4.43 0.00 2.03 1.86 1.01 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.70 4.05 0.00 3.79 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 5.74 2.54 0.00 1.69 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.14 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 20 K 8.32 3.91 0.00 1.68 1.42 0.00 1.52 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.30 7.81 21 G 6.17 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 22 Y 7.70 4.85 0.00 3.24 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 23 S 8.54 4.14 0.00 3.67 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 24 W 7.70 4.02 0.00 3.40 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 *82 P 0.00 4.18 0.00 2.07 2.10 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 83 M 7.36 3.12 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 84 A 8.01 3.94 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 85 A 7.90 3.88 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 86 V 7.76 3.47 2.16 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 1.05 0.00 0.00 0.91 0.00 0.00 87 K 7.97 3.79 0.00 1.88 1.96 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.45 7.81 88 Q 7.71 3.86 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 89 A 7.94 3.87 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 90 L 7.85 3.92 0.00 1.64 1.72 0.69 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.92 3.73 0.00 1.74 1.32 0.00 2.81 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 92 E 8.17 3.92 0.00 1.99 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 2.33 2.53 0.00 93 A 8.02 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.20 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 95 D 8.47 4.43 0.00 2.89 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 96 E 9.08 4.11 0.00 2.14 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 0.00 2.40 2.39 0.00 97 F 8.34 4.43 0.00 3.34 3.41 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 98 E 8.41 4.41 0.00 2.14 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 2.63 2.99 0.00 99 L 8.44 4.04 0.00 1.67 1.90 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.55 3.86 0.00 1.76 1.59 0.00 3.14 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.35 0.00 101 Y 7.34 4.60 0.00 2.69 2.54 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 0.00 102 R 7.92 4.48 0.00 2.08 2.17 0.00 3.04 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 103 R 8.10 4.23 0.00 1.86 1.95 0.00 3.25 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 104 A 9.39 3.95 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 0.00 105 F 8.24 3.74 0.00 3.22 3.16 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 0.00 106 S 8.99 4.21 0.00 3.80 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 0.00 107 D 8.34 4.50 0.00 2.75 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 0.00 108 L 7.91 4.51 0.00 1.79 1.72 1.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.49 4.57 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 1.25 0.00 0.00 110 S 8.30 4.77 0.00 3.84 3.87 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 0.00 0.00 0.00 111 Q 7.46 3.91 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 112 L 8.67 3.92 0.00 1.83 1.70 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 113 H 9.35 4.84 0.00 3.46 3.63 0.00 5.91 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.40 3.23 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 0.91 0.00 0.00 115 T 7.82 3.94 4.26 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 1.24 0.00 0.00 116 P 0.00 4.35 0.00 2.05 2.04 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 117 G 8.25 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 0.00 118 T 7.36 4.22 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 1.25 0.00 0.00 119 A 8.26 4.83 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 0.00 120 Y 8.98 4.41 0.00 3.08 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 0.00 121 Q 8.29 4.04 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.70 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 122 S 8.27 4.04 0.00 3.81 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 0.00 123 F 8.43 4.26 0.00 3.15 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.68 3.50 0.00 1.16 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 2.13 2.16 0.00 125 Q 7.63 3.89 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 126 V 8.36 3.62 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 0.76 0.00 0.00 1.05 0.00 0.00 127 V 7.13 3.00 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 1.23 0.00 0.00 0.24 0.00 0.00 128 N 7.92 4.26 0.00 2.92 2.83 0.00 0.00 7.02 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 0.00 129 E 8.60 3.89 0.00 2.00 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 0.00 2.28 2.40 0.00 130 L 7.43 3.83 0.00 1.25 1.27 0.55 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.72 4.56 0.00 3.04 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 0.00 132 R 7.70 3.68 0.00 1.97 1.86 0.00 3.28 0.00 0.00 3.20 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 133 D 7.62 4.67 0.00 2.64 2.75 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 0.00 134 G 7.33 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 0.00 135 V 8.21 4.56 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.78 0.00 0.00 136 N 8.33 4.84 0.00 3.02 2.87 0.00 0.00 6.28 8.88 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 0.00 137 W 8.70 4.46 0.00 3.44 3.26 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 0.00 138 G 8.42 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 0.00 0.00 0.00 139 R 9.75 3.91 0.00 1.86 1.63 0.00 3.12 0.00 0.00 3.04 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 140 I 7.61 4.17 2.30 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.84 1.27 0.00 0.00 141 V 8.26 3.86 2.16 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 1.01 0.00 0.00 0.79 0.00 0.00 142 A 7.46 3.65 1.02 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 0.00 0.00 143 F 8.05 4.10 0.00 3.25 3.48 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 0.00 144 F 8.25 3.54 0.00 3.08 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 0.00 0.00 0.00 145 S 9.03 4.55 0.00 4.39 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 0.00 146 F 9.76 4.49 0.00 3.14 3.35 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 0.00 147 G 8.48 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 0.00 148 G 8.55 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 0.00 149 A 7.99 3.67 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 0.00 150 L 7.74 3.75 0.00 1.31 1.69 1.10 0.65 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 0.00 151 C 8.14 4.12 0.00 3.04 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 0.00 152 V 8.60 3.58 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 1.09 0.00 0.00 0.96 0.00 0.00 153 E 8.97 3.61 0.00 2.07 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 2.31 2.34 0.00 154 S 7.71 3.82 0.00 3.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 8.20 3.53 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.75 0.00 0.00 156 D 8.12 4.40 0.00 2.27 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 0.00 157 K 8.54 4.12 0.00 1.77 1.84 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.42 7.81 158 E 9.35 4.28 0.00 2.18 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 2.35 2.41 0.00 159 M 7.67 3.95 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 160 Q 7.56 3.96 0.00 2.32 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 161 V 7.18 3.46 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 0.86 0.00 0.00 0.86 0.00 0.00 162 L 7.32 3.71 0.00 1.81 1.78 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.70 3.46 2.24 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 0.72 0.00 0.00 0.86 0.00 0.00 164 S 8.05 3.96 0.00 4.04 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 0.00 165 R 8.54 3.59 0.00 1.76 1.39 0.00 2.74 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 166 I 7.68 3.27 1.58 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.28 0.87 0.00 0.00 167 A 8.33 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 A 8.34 3.93 1.46 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 0.00 0.00 169 W 8.38 4.59 0.00 3.65 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 0.00 170 M 8.12 4.10 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.58 0.00 171 A 7.98 4.08 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 0.00 172 T 8.44 3.83 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 173 Y 8.18 3.75 0.00 3.16 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 0.00 174 L 7.97 4.33 0.00 2.04 1.72 1.05 1.10 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 0.00 175 N 8.25 4.22 0.00 2.76 2.95 0.00 0.00 7.17 7.37 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 0.00 176 D 8.04 4.56 0.00 2.63 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 0.00 177 H 7.58 4.60 0.00 2.74 3.10 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.67 4.35 0.00 1.76 1.75 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.37 4.05 0.00 2.00 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 2.42 2.57 0.00 180 P 0.00 4.22 0.00 2.20 2.13 0.00 3.70 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 2.12 2.17 0.00 181 W 8.08 3.99 0.00 3.22 3.14 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 0.00 182 I 8.64 3.84 2.06 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.41 0.95 0.00 0.00 183 Q 8.39 3.87 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 184 E 7.75 4.01 0.00 1.96 1.63 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 2.15 2.23 0.00 185 N 6.85 4.63 0.00 1.92 2.28 0.00 0.00 6.98 7.53 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 0.00 186 G 7.67 4.77 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 0.00 0.00 0.00 187 G 7.53 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 0.00 188 W 8.73 4.46 0.00 3.50 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.19 4.57 0.00 2.71 2.79 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 0.00 190 T 8.29 4.06 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 0.00 191 F 8.65 4.29 0.00 3.11 3.56 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 0.00 192 V 8.60 3.48 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 0.95 0.00 0.00 0.96 0.00 0.00 193 E 8.18 4.01 0.00 2.13 2.26 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 2.35 2.37 0.00 194 L 8.42 4.30 0.00 2.24 1.74 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.93 3.95 0.00 1.87 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 0.00 196 G 7.93 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 0.00 0.00 0.00 *197 N 8.40 4.68 0.00 2.87 3.08 0.00 0.00 6.71 7.99 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 *198 N 7.23 4.76 0.00 2.83 2.87 0.00 0.00 6.57 7.46 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 0.00 199 A 8.33 4.08 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 0.00 200 A 7.89 4.04 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 * Residues marked with a * may have inaccurate shift predictions.