NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3143 8.4345 115.2803 58.0624 64.2175 174.7520 2 K 4.3262 7.7970 122.3631 53.5763 32.2360 176.2091 3 T 5.0810 8.6233 112.8482 59.6374 73.2648 172.4135 4 F 4.9257 9.7029 124.2592 56.6151 42.3658 173.4569 5 I 4.8502 8.9353 127.6074 59.5551 39.8860 174.5934 6 I 5.0200 9.1615 128.5444 59.5514 39.8683 174.7725 7 G 4.2229 9.2524 114.3635 44.7214 0.0000 172.5564 8 I 5.0244 8.8650 125.6589 59.9640 40.1849 174.4230 9 S 5.6346 9.5525 124.2083 55.5483 65.7636 172.2966 10 G 3.7928 8.4346 104.1514 43.0884 0.0000 173.3267 11 V 3.6651 7.7241 120.0131 61.0087 31.8416 175.4434 12 T 3.7292 8.2927 114.7706 64.2718 67.2947 173.1042 13 N 4.3669 8.8970 123.9111 54.5103 35.7091 174.9769 14 S 4.4394 7.8141 111.4585 58.5182 63.8205 174.6104 15 G 3.9931 8.1073 109.8575 46.2032 0.0000 176.2280 16 K 3.9315 8.3099 120.2233 59.5695 32.1020 179.0875 17 T 3.9986 7.8431 115.4485 66.8523 68.4549 176.6446 18 T 3.8471 7.8975 117.1683 66.5702 68.4799 176.1605 19 L 3.9670 7.9668 121.7795 58.0861 42.0952 178.5330 20 A 4.0485 8.2464 121.0166 55.4444 18.3516 179.7580 21 K 3.9283 8.3267 116.9098 59.7398 31.8823 179.4136 22 N 4.2867 8.0730 115.7234 56.0926 38.7517 177.2215 23 L 4.5709 8.3417 120.5506 57.9678 41.7002 179.0329 24 Q 4.0831 8.3764 119.9283 59.3279 28.7915 178.8007 25 K 4.1327 7.8293 116.6762 59.0777 32.7026 177.5132 26 H 4.7601 8.1271 115.5932 54.6680 30.1413 174.1061 27 L 4.9456 7.3509 121.1554 52.0526 43.6562 174.5075 28 P 4.4688 0.0000 0.0000 63.3513 32.8671 175.2593 29 N 4.1978 8.7256 116.5424 55.4821 37.1548 172.7479 30 C 5.5226 7.9884 116.2198 57.9164 34.7199 173.3317 31 S 5.0074 9.1771 120.4383 56.7345 67.2715 172.8916 32 V 4.8503 8.2585 119.8095 61.3501 34.3113 174.3536 33 I 4.5847 8.8787 128.6867 59.6211 39.8723 174.2560 34 S 5.0850 8.6431 121.7906 56.5378 63.7620 174.5957 35 Q 4.1430 9.1703 129.0186 59.2761 29.0516 177.9295 36 D 4.6171 8.3172 116.5836 57.2343 40.8816 176.8631 37 D 4.5385 8.0418 116.8289 54.9467 41.0409 176.3168 38 F 4.9949 8.0398 118.3923 57.0477 40.9201 174.8185 39 F 4.8677 8.4475 117.2348 57.3553 39.3761 175.7691 40 K 4.3589 9.4790 122.7349 55.5916 32.8259 175.4402 41 P 4.3643 0.0000 0.0000 63.4458 32.2254 177.8519 42 E 4.0163 9.2018 117.7877 59.3481 29.5913 179.6982 43 S 4.2489 8.0896 112.2910 60.5299 63.0759 174.6326 44 E 4.3736 8.1788 118.9909 56.4133 29.7868 175.8808 45 I 3.9934 7.3961 121.3537 60.6712 37.8369 176.0263 46 E 4.2865 8.7611 126.1927 56.5799 31.0137 175.5777 47 T 5.1160 8.2873 118.5088 61.9448 71.3765 174.3983 48 D 4.7497 8.7859 125.7098 51.9231 41.6313 176.8734 49 K 3.8079 8.8771 117.9035 60.2871 31.7591 177.9749 50 N 4.3511 8.1647 111.4824 53.5340 38.3593 176.0426 51 G 3.8080 8.0934 106.6978 45.3396 0.0000 173.6821 52 F 4.8098 8.4469 120.1284 56.5106 39.4336 175.1945 53 L 4.5274 8.7918 126.4072 55.1369 41.9237 178.0433 54 Q 4.3108 8.8087 124.4493 55.3231 27.0854 174.8670 55 Y 4.4637 8.2205 116.5898 58.9815 39.2422 176.2782 56 D 5.4372 8.2986 120.0877 53.5565 41.2541 176.3633 57 V 4.6422 7.5774 110.6458 59.5739 36.2836 176.8085 58 L 3.9108 8.5465 122.0595 57.9108 41.6562 179.4826 59 E 4.0375 8.1623 116.4043 58.5250 29.7456 177.6558 60 A 4.2910 8.3902 121.7033 53.3443 18.9065 176.7994 61 L 5.1179 7.6682 115.8565 52.6865 43.9804 175.8511 62 N 4.5857 8.9634 121.4867 53.0890 39.9689 174.7070 *64 E 4.3995 8.6287 122.8642 56.4457 31.7712 177.4989 65 K 4.2570 8.0143 121.7363 56.1917 29.8307 176.5876 *68 S 4.3891 8.1147 117.4221 57.6357 65.5056 177.0661 69 A 4.0793 7.9247 122.6496 54.9712 17.7914 179.7106 70 I 3.7533 7.5776 117.1179 64.6944 37.3507 178.3174 71 S 4.3184 8.0199 114.4548 61.7836 62.9798 176.0171 72 C 4.3730 8.5200 119.8180 62.3311 27.8772 176.6530 73 W 4.0869 8.1774 128.7636 57.5818 29.8643 177.3472 *75 E 4.0910 8.1805 119.5893 55.7025 31.1668 177.5122 76 S 3.8675 7.9639 112.5108 61.3522 62.4899 175.8432 77 A 3.5770 7.5803 123.6400 55.1967 17.6200 179.7673 78 R 3.7874 7.0168 115.1151 58.7381 30.1044 177.8847 79 H 4.8426 7.5426 113.2144 55.5456 29.4487 176.0323 80 S 4.4236 7.6593 116.1944 58.5901 63.2833 174.0316 81 V 4.3261 7.1444 122.2646 60.9915 33.2361 175.1018 82 V 3.7621 8.3722 125.4509 62.5637 31.5537 175.3520 *92 I 3.9722 7.4866 120.4842 60.3407 38.6878 173.4025 93 P 4.7767 0.0000 0.0000 63.1851 32.6888 175.1523 94 I 5.2772 9.1633 124.1177 59.5254 40.3200 174.1993 95 L 4.5246 8.5729 128.4616 52.9525 44.7901 174.8330 96 I 4.9540 8.4525 126.6633 59.6800 39.9326 174.4008 97 I 4.9998 9.1722 129.1777 59.5780 39.2020 174.4957 98 E 5.0836 8.8432 125.9011 54.3840 32.4447 175.4227 99 G 4.4227 8.3204 109.2999 45.9064 0.0000 174.1646 100 F 4.8589 9.2947 114.2982 57.9371 38.8804 175.8884 101 L 3.6732 7.3437 120.7722 53.0377 42.5510 175.3922 102 L 4.3436 7.4363 122.1905 56.7616 43.0269 179.2290 103 F 5.2558 8.0603 114.1319 58.5257 39.1135 175.9431 104 N 4.7914 8.4214 117.0440 52.9179 38.1328 174.6672 105 Y 4.5512 8.0771 121.5003 56.4992 38.0319 175.6686 106 K 4.0846 8.3582 128.1397 58.7444 32.5029 177.9873 107 P 4.0541 0.0000 0.0000 64.9627 31.3874 176.8192 108 L 4.2878 7.7205 116.7290 54.3015 41.7410 178.0278 109 D 4.1161 7.9500 120.2421 55.6937 39.3026 177.2345 110 T 4.0521 7.3194 107.6260 61.2244 69.3394 175.1581 111 I 3.4663 6.8535 123.2483 63.0249 38.1345 175.9498 112 W 4.4097 6.9745 120.4404 56.5132 29.0105 175.5156 113 N 4.4751 8.7560 122.5160 55.2007 38.8013 176.0498 114 R 4.6414 7.6022 115.5166 54.4969 35.3421 174.7613 115 S 4.7161 8.0356 116.6766 57.1891 66.6169 172.3809 116 Y 5.2125 9.0710 123.0472 56.0761 41.1294 175.1115 117 F 5.0858 9.4494 125.1270 56.3108 42.0923 173.6025 118 L 4.8652 8.8329 128.4095 54.7429 42.8466 176.3930 119 T 5.1708 9.3733 114.4495 59.9328 71.7227 173.0244 120 I 5.0932 8.3779 116.6253 58.6774 41.1651 173.1989 121 P 4.7843 0.0000 0.0000 62.1091 32.4909 176.7595 122 Y 2.8739 8.8156 120.4043 60.9922 38.3888 178.5955 123 E 3.6805 8.1193 118.4604 59.3390 29.6300 178.9140 124 E 3.8540 7.9889 118.8628 59.1161 29.6737 178.1488 125 C 4.0296 8.0289 118.7920 62.3725 31.6999 175.3532 126 K 2.4800 7.2048 121.0525 58.8616 31.2806 178.5204 127 R 3.6698 7.3830 117.5492 59.5454 30.4712 178.3451 128 R 4.0064 7.9596 117.8301 59.2970 30.1127 179.0236 129 R 4.0288 8.1505 118.7093 59.6730 29.8155 178.7751 130 S 4.2200 7.8184 114.2456 61.2422 62.8631 175.4331 131 T 4.1015 7.5100 109.6804 62.4678 69.2098 174.5191 132 R 4.2779 7.4070 122.4668 54.6214 31.4178 175.2127 133 V 4.1614 7.8955 123.7184 61.4029 32.7008 174.8292 134 Y 4.3280 8.3662 124.6892 56.5178 39.9575 175.1421 135 Q 4.3477 8.1582 119.1070 53.4886 29.9147 174.0378 136 P 4.5422 0.0000 0.0000 60.8478 32.5697 174.5891 137 P 4.3583 0.0000 0.0000 62.3052 31.6981 176.4177 138 D 4.0340 8.6270 121.4881 54.4016 41.2130 177.0869 139 S 4.3815 8.2814 118.8751 57.0909 63.8599 171.8635 140 P 4.4624 0.0000 0.0000 64.1818 31.6535 177.0352 141 G 4.1540 9.0704 108.2888 46.4254 0.0000 174.7043 142 Y 3.8247 8.0723 121.0952 60.3515 38.6562 177.5411 143 F 3.8982 8.2327 121.1123 61.5759 39.4589 176.7989 144 D 4.6228 8.2813 116.6431 56.9674 40.8596 178.3142 145 G 3.4573 7.9138 105.1481 46.3991 0.0000 173.2380 146 H 4.4020 7.4165 118.3149 57.4592 32.3689 174.3685 147 V 3.5301 7.1237 117.4969 65.7371 31.7254 177.1180 148 W 4.0935 8.0731 129.5955 60.0326 30.7940 176.8702 149 P 4.1633 0.0000 0.0000 63.4715 31.1752 177.3981 *151 Y 4.7476 8.0738 120.3027 57.7492 40.3775 177.1356 152 L 3.4585 7.3991 119.4454 57.3165 41.4329 179.4075 153 K 3.8383 7.8758 119.6809 59.5932 31.8873 178.2234 154 Y 4.5588 7.7121 119.4745 60.4681 38.9091 177.7795 155 R 3.6430 7.7011 120.2889 59.5287 30.0722 179.4390 156 Q 4.0612 7.7732 119.9002 59.8408 28.3366 182.6419 157 E 4.4026 8.3853 125.9895 56.3153 28.4996 179.4932 *159 Q 4.1761 8.0472 117.4942 54.4356 30.6616 177.6659 160 D 4.8136 7.3758 112.6431 53.3772 39.6906 176.6023 161 I 3.4718 7.3130 121.3094 61.9770 37.2763 176.0210 162 T 4.2412 8.3400 114.3878 61.5987 69.6825 174.4812 163 W 4.8545 7.2575 118.5377 54.1049 30.5719 175.3432 164 E 3.9794 8.6946 119.3101 56.3938 29.4420 176.6136 165 V 4.1473 7.9172 122.7752 60.8401 34.4355 174.6690 166 V 4.1401 8.6806 128.3458 61.8969 32.6601 174.1017 167 Y 5.0425 8.7064 126.4469 57.2774 38.9604 175.0055 168 L 4.8385 9.1344 124.4382 52.9095 45.3076 175.6434 169 D 4.9041 8.8319 123.0201 53.3142 41.1026 176.9577 170 G 3.8501 9.3749 116.4105 47.4393 0.0000 172.8361 171 T 4.2356 8.1122 109.1890 62.2317 69.4652 175.5324 172 K 4.2227 7.8327 122.3386 55.9798 32.8824 177.5209 173 S 4.3558 8.3715 116.0296 58.2943 64.9553 175.0027 174 E 3.9771 8.8019 122.7887 59.9939 29.1491 179.4866 175 E 4.0679 8.1459 118.6051 59.0035 29.7901 178.0856 176 D 4.3306 8.0344 117.7490 57.3788 41.2939 178.2303 177 L 3.9709 8.0339 119.3597 57.7088 41.6334 179.0098 178 F 4.1066 8.3247 120.5347 61.5834 39.1948 177.1619 179 L 3.5467 8.1889 118.5135 57.5687 41.3901 179.3652 180 Q 3.8833 8.0739 119.3726 59.2220 29.0790 178.5624 181 V 3.3001 7.7433 119.3140 65.9631 31.4306 177.0931 182 Y 3.7403 8.0863 119.5611 60.7931 38.2504 178.1670 183 E 3.8894 8.1675 118.4182 59.3309 29.7166 178.5273 184 D 4.4861 8.0499 118.0484 57.3357 41.3602 178.3124 185 L 3.9617 8.2967 119.7895 57.9558 41.4106 179.3310 186 I 3.5635 7.2594 118.6017 64.6406 37.0716 177.9745 187 Q 4.1367 7.6846 117.1152 57.6836 28.7052 177.2408 188 E 4.4497 7.7008 118.0215 57.5437 30.7116 175.7064 189 L 3.7058 7.9626 122.9059 54.7759 41.6317 176.6222 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 S 8.43 4.31 0.00 3.82 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 2 K 7.80 4.33 0.00 1.67 1.58 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.07 7.81 3 T 8.62 5.08 4.73 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 1.20 0.00 0.00 4 F 9.70 4.93 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 5 I 8.94 4.85 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.73 0.00 0.00 6 I 9.16 5.02 2.07 0.00 0.00 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 1.57 0.90 1.29 0.00 0.00 7 G 9.25 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 8 I 8.86 5.02 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.06 0.93 0.00 0.00 9 S 9.55 5.63 0.00 3.02 3.49 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 10 G 8.43 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 0.00 0.00 0.00 11 V 7.72 3.67 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 0.67 0.00 0.00 0.63 0.00 0.00 12 T 8.29 3.73 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 1.33 0.00 0.00 13 N 8.90 4.37 0.00 2.99 2.96 0.00 0.00 7.01 7.57 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 14 S 7.81 4.44 0.00 3.97 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 15 G 8.11 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 16 K 8.31 3.93 0.00 1.89 1.92 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.50 7.81 17 T 7.84 4.00 4.25 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 1.22 0.00 0.00 18 T 7.90 3.85 4.39 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 1.22 0.00 0.00 19 L 7.97 3.97 0.00 1.88 1.90 0.97 1.01 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 20 A 8.25 4.05 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 21 K 8.33 3.93 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.69 7.81 22 N 8.07 4.29 0.00 2.90 2.66 0.00 0.00 7.10 7.27 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 23 L 8.34 4.57 0.00 1.98 1.90 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.38 4.08 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 25 K 7.83 4.13 0.00 1.84 1.87 0.00 1.50 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.63 1.13 7.81 26 H 8.13 4.76 0.00 3.49 3.45 0.00 5.81 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 27 L 7.35 4.95 0.00 1.72 1.69 1.07 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.47 0.00 2.23 2.10 0.00 4.00 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 29 N 8.73 4.20 0.00 3.03 2.93 0.00 0.00 6.51 7.65 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 30 C 7.99 5.52 0.00 3.16 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 31 S 9.18 5.01 0.00 3.68 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 32 V 8.26 4.85 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 0.85 0.00 0.00 1.02 0.00 0.00 33 I 8.88 4.58 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 1.03 0.00 0.00 34 S 8.64 5.09 0.00 4.00 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 35 Q 9.17 4.14 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.51 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 36 D 8.32 4.62 0.00 2.78 2.86 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 37 D 8.04 4.54 0.00 2.24 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 0.00 0.00 0.00 38 F 8.04 4.99 0.00 2.91 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 39 F 8.45 4.87 0.00 3.10 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 40 K 9.48 4.36 0.00 1.76 1.82 0.00 1.94 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.64 7.81 41 P 0.00 4.36 0.00 2.21 2.03 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 42 E 9.20 4.02 0.00 1.89 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 2.33 1.91 0.00 43 S 8.09 4.25 0.00 3.98 4.05 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 44 E 8.18 4.37 0.00 2.14 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 2.30 2.44 0.00 45 I 7.40 3.99 1.67 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 -0.15 0.32 0.00 0.00 46 E 8.76 4.29 0.00 1.89 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 2.39 2.29 0.00 47 T 8.29 5.12 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 1.22 0.00 0.00 48 D 8.79 4.75 0.00 2.98 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 49 K 8.88 3.81 0.00 1.79 1.95 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.52 7.81 50 N 8.16 4.35 0.00 2.54 2.22 0.00 0.00 7.00 7.65 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 51 G 8.09 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 0.00 0.00 0.00 52 F 8.45 4.81 0.00 3.48 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 53 L 8.79 4.53 0.00 1.84 1.59 1.04 0.94 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 54 Q 8.81 4.31 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 55 Y 8.22 4.46 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.16 4.35 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.06 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 136 P 0.00 4.54 0.00 2.12 2.04 0.00 3.62 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 1.90 1.98 0.00 137 P 0.00 4.36 0.00 2.04 2.03 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 138 D 8.63 4.03 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.28 4.38 0.00 4.11 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 0.00 140 P 0.00 4.46 0.00 2.28 2.15 0.00 3.88 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 141 G 9.07 4.15 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 0.00 142 Y 8.07 3.82 0.00 3.23 3.02 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 0.00 143 F 8.23 3.90 0.00 3.18 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 0.00 144 D 8.28 4.62 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.91 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 0.00 0.00 0.00 146 H 7.42 4.40 0.00 2.27 2.14 0.00 5.97 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.12 3.53 1.57 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 0.62 0.00 0.00 0.61 0.00 0.00 148 W 8.07 4.09 0.00 2.88 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 0.00 149 P 0.00 4.16 0.00 2.12 2.04 0.00 3.56 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 2.10 2.12 0.00 *151 Y 8.07 4.75 0.00 2.81 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 0.00 152 L 7.40 3.46 0.00 1.54 1.50 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.88 3.84 0.00 1.90 1.79 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 154 Y 7.71 4.56 0.00 2.84 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 0.00 155 R 7.70 3.64 0.00 1.52 1.59 0.00 2.87 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.00 0.00 156 Q 7.77 4.06 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.64 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 157 E 8.39 4.40 0.00 2.25 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 2.36 2.41 0.00 *159 Q 8.05 4.18 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.16 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 160 D 7.38 4.81 0.00 2.74 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 0.00 161 I 7.31 3.47 1.34 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.20 -0.66 0.00 0.00 162 T 8.34 4.24 4.31 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 1.29 0.00 0.00 163 W 7.26 4.85 0.00 3.30 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 0.00 164 E 8.69 3.98 0.00 1.97 1.89 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 2.30 2.31 0.00 165 V 7.92 4.15 1.60 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 -0.11 0.00 0.00 0.16 0.00 0.00 166 V 8.68 4.14 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 0.97 0.00 0.00 0.86 0.00 0.00 167 Y 8.71 5.04 0.00 2.96 3.02 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 0.00 168 L 9.13 4.84 0.00 1.66 1.61 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.83 4.90 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 0.00 170 G 9.37 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 0.00 171 T 8.11 4.24 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 1.26 0.00 0.00 172 K 7.83 4.22 0.00 1.91 1.92 0.00 1.75 0.00 0.00 1.94 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.51 7.81 173 S 8.37 4.36 0.00 4.06 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 0.00 174 E 8.80 3.98 0.00 2.04 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 2.42 2.39 0.00 175 E 8.15 4.07 0.00 2.10 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 0.00 2.41 2.51 0.00 176 D 8.03 4.33 0.00 2.81 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 0.00 177 L 8.03 3.97 0.00 1.92 1.72 0.95 0.94 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 0.00 178 F 8.32 4.11 0.00 3.16 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 0.00 179 L 8.19 3.55 0.00 1.83 1.88 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.07 3.88 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 181 V 7.74 3.30 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 0.18 0.00 0.00 0.48 0.00 0.00 182 Y 8.09 3.74 0.00 2.20 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 0.00 183 E 8.17 3.89 0.00 2.14 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 2.37 2.41 0.00 184 D 8.05 4.49 0.00 2.88 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 0.00 185 L 8.30 3.96 0.00 1.57 1.49 0.98 1.18 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 0.00 186 I 7.26 3.56 1.67 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.55 0.84 0.00 0.00 187 Q 7.68 4.14 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 188 E 7.70 4.45 0.00 2.07 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 2.53 2.48 0.00 189 L 7.96 3.71 0.00 1.32 1.31 0.68 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.