NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3385 8.3149 120.1418 55.3991 33.8103 175.4152 2 P 4.3417 0.0000 0.0000 61.6961 32.2072 176.5211 3 G 3.6481 9.1344 111.7717 48.4016 0.0000 175.2822 4 A 4.0051 8.2345 122.1070 55.6956 18.2778 178.6962 5 M 3.9426 7.7007 113.5248 57.7641 31.7643 176.7200 6 Y 4.8526 8.3839 113.8435 57.0806 40.2988 177.0339 7 R 4.2715 7.9482 116.4739 57.4489 29.9669 176.1237 8 N 5.0499 7.3289 116.6319 52.4627 40.1121 174.9935 9 S 4.7939 8.2157 115.7849 58.4357 63.1797 175.5970 10 S 4.3448 7.9710 114.9606 59.6072 63.8241 174.4906 11 K 4.4300 7.7008 119.9809 54.3043 33.2860 174.4142 12 P 4.4614 0.0000 0.0000 62.1448 31.8887 176.4242 13 A 4.2400 8.4256 123.5438 52.4252 18.9948 176.9921 14 Y 4.9040 8.8912 123.1494 56.2370 39.9353 175.3463 15 T 4.5649 8.2053 113.7764 61.0226 71.7153 174.3358 16 R 4.2062 7.8253 121.0558 55.8258 29.2263 177.3391 17 R 3.9956 8.3962 123.6632 58.3139 30.0691 178.5837 18 E 3.9831 7.8490 114.9439 57.6560 29.7669 177.0827 19 Y 4.9105 7.6732 114.9845 57.3730 39.9179 175.1185 20 I 4.6296 7.4844 120.9487 59.2731 40.0619 174.8928 21 S 4.7098 8.3335 118.4292 57.4343 65.8876 173.3314 22 G 3.8499 8.7212 106.7734 46.6105 0.0000 173.6775 23 I 3.9821 7.7051 120.3394 59.5825 37.7931 174.5518 24 P 4.3456 0.0000 0.0000 62.2631 31.8283 176.6795 25 G 3.7609 8.3204 110.6695 45.0650 0.0000 173.3111 26 K 4.0871 8.2771 121.8299 56.0847 32.8050 177.0861 27 K 4.3319 8.8070 122.8580 56.5725 32.5285 176.8604 28 I 4.1122 7.5701 121.0211 60.8443 37.3352 175.6713 29 A 4.1679 10.4775 130.0108 54.7810 18.4284 177.1902 30 Q 4.8407 7.5860 111.0595 54.7015 33.3011 174.4842 31 F 4.3829 9.0227 116.5846 57.8461 42.1939 175.1749 32 D 5.5199 8.3779 118.0714 52.9626 42.4790 175.9292 33 M 4.8000 9.0476 122.2987 54.0699 36.4139 176.2848 34 G 3.3279 8.7599 106.5423 46.5545 0.0000 176.3661 35 N 4.6137 8.4843 113.3370 52.2739 36.8679 175.2651 36 N 4.6820 8.1526 116.3414 53.6896 38.3921 177.5610 37 G 3.6142 8.0292 108.1002 47.9822 0.0000 174.1199 38 A 4.4267 7.5844 121.8715 50.9985 19.9576 176.7004 39 G 4.0647 8.0873 108.4210 43.1307 0.0000 171.7721 40 P 4.2688 0.0000 0.0000 62.7257 29.8292 176.8665 41 T 4.6029 7.6529 110.0545 61.4205 69.8543 174.8916 42 Y 4.7326 7.9096 118.2048 56.8351 40.4523 174.6586 43 P 4.3817 0.0000 0.0000 65.5182 31.9315 176.6471 44 A 5.5514 8.0529 119.8077 50.2543 21.5614 176.1616 45 Q 4.3103 8.4290 121.0573 54.3174 31.6326 173.7087 46 V 4.8300 8.1085 126.2831 61.6210 34.4523 174.1026 47 E 5.1047 9.7842 123.4691 54.5893 34.5307 174.1700 48 L 4.3566 8.0465 124.7783 53.3583 43.9268 175.1727 49 V 4.6526 8.4066 127.6914 60.8920 33.2616 175.1074 50 V 3.9393 8.2511 128.5513 63.2343 32.3607 175.9438 51 E 4.6628 8.6102 125.5335 56.2439 30.1347 176.1606 52 K 4.5856 7.6389 118.1218 54.0001 36.2605 173.9135 53 P 4.6534 0.0000 0.0000 63.1950 31.8721 175.9729 54 V 4.6223 8.9432 116.7123 60.5633 36.9186 172.9914 55 Q 5.0330 8.7850 120.3444 54.3872 31.4474 175.3089 56 I 4.4335 8.5445 124.4355 59.1803 40.0811 175.5809 57 R 4.4150 8.6080 127.0270 56.1084 30.7783 177.7660 58 H 4.1136 9.1596 118.4271 59.0801 28.1591 177.2274 59 N 4.0419 8.0303 118.5388 56.6179 38.3182 176.8672 60 A 4.0426 7.8396 121.2168 54.8718 18.5690 179.5234 61 L 3.8315 7.7911 117.7668 58.0222 41.6450 179.2967 62 E 3.9076 8.1134 118.9544 59.2413 29.5775 178.7382 63 A 3.9799 7.9944 120.3263 54.8395 18.3235 179.5479 64 A 3.9517 8.3717 119.6682 55.2904 18.4854 179.6426 65 R 3.8571 8.6535 117.5539 59.6914 30.1244 178.5515 66 V 3.5834 8.1047 117.8638 66.2928 31.3367 177.7477 67 A 3.9102 7.9422 118.5227 54.8795 18.3485 179.2213 68 A 4.3803 7.6451 120.4132 54.5203 18.9289 179.3294 69 N 3.9291 8.4208 115.6455 56.6743 38.8950 177.0595 70 R 3.8345 8.4584 119.4531 59.2207 30.2392 177.1531 71 Y 4.2865 7.4180 118.7139 59.3588 38.5212 177.3620 72 V 3.3656 7.2904 116.3793 62.1984 31.9087 176.7789 73 Q 4.4781 7.4992 119.9749 55.5403 27.2929 175.1110 74 N 4.7433 7.2772 112.0092 52.8619 40.9511 174.1064 75 S 4.5142 7.6390 110.0418 57.9366 65.3750 174.7855 76 G 4.0280 8.3487 107.7335 44.5354 0.0000 174.4218 77 A 3.9811 8.6629 124.0527 54.3741 18.3977 178.0351 78 A 4.6488 7.6287 117.4579 51.5313 19.6391 175.8605 79 A 4.2357 8.0666 123.0646 53.9814 19.1190 179.0744 80 N 4.7685 8.2896 119.3201 51.7075 37.6301 173.0228 81 Y 4.8276 7.0305 119.7767 55.5465 41.7937 173.4887 82 K 5.0603 8.6250 118.5595 55.2780 36.2280 174.7334 83 F 5.9023 9.2997 126.5133 56.6906 42.1980 174.2502 84 R 5.2109 9.3980 124.2083 54.5640 34.3891 173.8726 85 I 4.8892 8.4585 124.2169 58.5589 38.3749 175.4530 86 R 4.4636 8.6825 126.3694 57.4108 30.1483 176.6623 87 K 4.8226 7.8535 119.0353 54.8817 34.1183 175.4843 88 F 4.6926 8.5378 119.8322 54.7540 41.8646 174.2134 89 P 4.5461 0.0000 0.0000 63.0376 29.5354 175.3991 90 F 4.5030 8.2607 124.3448 59.3653 40.2052 175.7221 91 H 4.7788 8.3492 121.1387 55.3873 29.9414 174.7914 92 V 4.2331 8.4259 127.2794 62.8517 32.1731 175.1725 93 I 4.6210 8.8819 121.2846 59.3199 40.3269 175.2442 94 R 5.1118 8.4052 123.9641 54.2688 33.1887 174.5764 95 E 4.5841 8.2617 118.4691 55.4336 33.3340 174.3499 96 N 5.2050 8.6765 126.4533 52.0851 37.6789 173.9372 97 K 4.4127 7.5319 122.1930 54.5174 31.9246 175.1764 *109 D 4.4792 7.8844 122.7883 54.7767 44.0130 172.1576 110 G 4.2443 9.0199 114.7255 46.6175 0.0000 172.8824 111 M 4.3756 9.2082 118.9585 54.9181 33.1818 176.1378 112 R 3.9378 7.9586 119.4358 57.2707 31.4388 176.1181 113 A 3.8166 8.4602 126.2152 52.8466 15.8067 175.2238 114 P 4.6663 0.0000 0.0000 62.3556 32.5555 176.5934 115 F 3.9125 8.3346 121.9963 58.6151 39.2327 174.9427 116 G 3.9857 8.0275 116.4192 46.0230 0.0000 171.3198 117 K 4.8399 8.4158 118.2229 53.9691 35.3929 174.1003 118 P 4.6428 0.0000 0.0000 63.9553 31.1480 176.2358 119 V 4.3006 8.4718 116.4299 61.1618 34.3767 175.4314 120 G 4.0809 7.2420 105.1423 46.3662 0.0000 172.0911 121 T 5.2999 7.8201 107.8393 60.1862 72.5684 172.7329 122 A 5.1679 9.0988 123.5550 50.5698 23.6545 174.4375 123 A 4.9811 8.9121 121.2478 50.2704 21.5361 176.3654 124 R 4.6639 8.7356 122.1590 55.4987 31.0558 176.0437 125 V 4.4247 8.7415 125.1066 61.2973 34.2862 174.4358 126 H 4.7834 8.9640 124.6763 54.0218 30.0530 174.8274 127 G 3.9367 8.5614 111.0721 47.8210 0.0000 173.3935 128 A 3.8997 9.7325 127.8152 51.5974 18.1070 177.8534 129 N 4.8308 8.0129 113.6024 52.7574 40.4862 173.6414 130 H 5.1264 8.1816 116.2732 54.3937 29.9449 174.5050 131 I 3.9357 8.5046 122.6177 61.9467 39.6013 175.1819 132 F 5.3175 7.6017 119.3847 55.5422 43.0208 174.4179 133 I 5.0375 9.0801 122.8240 59.8541 40.8090 174.2293 134 A 5.4407 9.1745 128.1995 49.9106 23.0874 174.7924 135 W 5.2692 9.0009 118.4092 54.9325 32.9056 175.3259 136 V 4.9170 8.7156 123.1542 60.3063 34.9555 174.3275 137 N 5.0206 8.8343 118.8465 51.2768 40.3828 173.1079 138 P 4.4504 0.0000 0.0000 62.3362 30.6254 176.5982 139 D 4.6100 7.4593 122.6455 52.7696 42.2352 176.5632 140 P 4.4484 0.0000 0.0000 62.6650 29.8462 176.6647 141 N 4.7381 7.9366 119.3756 53.5231 39.7813 176.7201 142 V 3.0769 7.2460 120.8454 64.5841 31.5200 177.9551 143 E 3.8914 7.8946 118.6115 58.9495 28.9095 178.5755 144 E 4.0351 7.9280 118.7643 58.4243 29.6714 178.0884 145 A 3.9193 7.7734 120.3730 53.8504 18.3017 178.7776 146 W 4.7995 7.7710 116.3971 58.2023 29.8124 178.3678 147 R 3.9525 7.4181 116.9436 59.2347 29.3351 178.2596 148 R 4.0988 7.7574 117.3269 58.2413 30.1695 178.8161 149 A 4.0432 7.8361 121.7467 55.1462 18.5804 178.9702 150 K 4.2635 8.0140 111.4649 57.9644 32.7315 177.5847 151 M 4.1897 7.6186 119.0147 57.5475 32.3355 176.7788 152 K 4.6578 7.8735 116.8082 55.7859 32.7592 176.0269 153 V 4.5117 7.4284 110.8146 59.5793 35.2905 175.5208 154 T 4.0087 8.9529 121.8103 66.2951 68.3482 172.9255 155 P 4.5002 0.0000 0.0000 62.6465 32.4820 175.5700 156 T 4.4216 8.0762 115.0900 63.4173 69.9643 173.9624 157 I 5.0864 8.1033 123.1999 59.7328 42.0039 173.9191 158 N 4.8596 9.0140 122.5429 52.0262 41.2125 173.5500 159 I 4.6142 8.5301 127.8433 60.5714 37.6854 174.2610 160 D 4.9291 8.8986 127.9196 52.4524 43.2316 174.7802 161 S 4.7334 8.7200 120.3416 58.6835 63.9439 170.9636 162 S 4.3394 9.3883 122.8895 58.7671 63.7419 174.0849 163 P 4.3598 0.0000 0.0000 63.9643 32.4163 175.8434 164 A 4.7557 7.9903 126.5399 52.2952 19.9593 175.6627 165 G 4.0888 8.2192 110.0092 45.4003 0.0000 172.5278 166 N 4.7321 7.9920 115.4296 51.5323 37.7367 175.1729 167 A 4.2958 7.5922 124.2997 52.2955 19.1987 177.4279 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 K 8.31 4.34 0.00 1.91 1.90 0.00 1.98 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.56 7.81 2 P 0.00 4.34 0.00 2.25 1.96 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 3 G 9.13 3.65 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 0.00 0.00 0.00 4 A 8.23 4.01 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 5 M 7.70 3.94 0.00 1.06 1.75 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 6 Y 8.38 4.85 0.00 2.98 2.89 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 7 R 7.95 4.27 0.00 2.00 2.22 0.00 3.11 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 8 N 7.33 5.05 0.00 2.87 2.77 0.00 0.00 6.90 7.45 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 9 S 8.22 4.79 0.00 3.82 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 10 S 7.97 4.34 0.00 3.97 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 11 K 7.70 4.43 0.00 1.85 1.81 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.47 7.81 12 P 0.00 4.46 0.00 2.11 2.04 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 13 A 8.43 4.24 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 14 Y 8.89 4.90 0.00 2.92 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 15 T 8.21 4.56 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 1.43 0.00 0.00 16 R 7.83 4.21 0.00 2.14 2.23 0.00 3.59 0.00 0.00 3.35 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 17 R 8.40 4.00 0.00 1.80 1.92 0.00 3.12 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 18 E 7.85 3.98 0.00 1.50 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 19 Y 7.67 4.91 0.00 2.95 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 20 I 7.48 4.63 1.73 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.64 0.82 0.00 0.00 21 S 8.33 4.71 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.72 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 23 I 7.71 3.98 1.85 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 1.38 0.56 0.88 0.00 0.00 24 P 0.00 4.35 0.00 1.99 1.97 0.00 3.64 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 2.05 2.08 0.00 25 G 8.32 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.28 4.09 0.00 1.71 1.75 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.58 1.51 7.81 27 K 8.81 4.33 0.00 1.74 1.81 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.51 7.81 28 I 7.57 4.11 1.89 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 1.19 0.42 0.22 0.00 0.00 29 A 10.48 4.17 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.59 4.84 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 31 F 9.02 4.38 0.00 3.10 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 32 D 8.38 5.52 0.00 2.67 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 33 M 9.05 4.80 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 34 G 8.76 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.48 4.61 0.00 2.75 2.80 0.00 0.00 7.19 6.94 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 36 N 8.15 4.68 0.00 2.86 3.00 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.03 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 38 A 7.58 4.43 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 39 G 8.09 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.27 0.00 1.62 0.73 0.00 3.41 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 0.00 41 T 7.65 4.60 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 42 Y 7.91 4.73 0.00 3.16 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.38 0.00 2.13 2.17 0.00 4.09 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 2.09 2.12 0.00 44 A 8.05 5.55 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 45 Q 8.43 4.31 0.00 2.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.08 1.45 0.00 46 V 8.11 4.83 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 1.25 0.00 0.00 0.88 0.00 0.00 47 E 9.78 5.10 0.00 1.75 1.67 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 2.07 2.34 0.00 48 L 8.05 4.36 0.00 0.27 0.96 0.74 0.78 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 49 V 8.41 4.65 2.13 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 1.02 0.00 0.00 0.90 0.00 0.00 50 V 8.25 3.94 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 0.89 0.00 0.00 0.85 0.00 0.00 51 E 8.61 4.66 0.00 2.05 1.94 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 2.25 2.25 0.00 52 K 7.64 4.59 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.44 7.81 53 P 0.00 4.65 0.00 1.83 1.68 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 54 V 8.94 4.62 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 0.73 0.00 0.00 0.94 0.00 0.00 55 Q 8.79 5.03 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 56 I 8.54 4.43 1.82 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 1.20 0.64 0.85 0.00 0.00 57 R 8.61 4.42 0.00 1.84 1.82 0.00 2.89 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 58 H 9.16 4.11 0.00 3.30 3.51 0.00 5.28 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.03 4.04 0.00 2.72 2.83 0.00 0.00 7.05 8.14 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 60 A 7.84 4.04 1.33 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 0.00 0.00 61 L 7.79 3.83 0.00 1.76 1.54 0.72 0.77 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 62 E 8.11 3.91 0.00 2.11 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 0.00 2.36 2.36 0.00 63 A 7.99 3.98 1.39 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 0.00 0.00 64 A 8.37 3.95 1.65 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 0.00 0.00 65 R 8.65 3.86 0.00 2.17 2.01 0.00 3.21 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 66 V 8.10 3.58 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.01 0.00 0.00 67 A 7.94 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 68 A 7.65 4.38 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.42 3.93 0.00 2.99 2.90 0.00 0.00 6.95 8.50 0.00 0.00 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 R 8.46 3.83 0.00 1.89 2.03 0.00 3.33 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 71 Y 7.42 4.29 0.00 3.27 3.09 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 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6.79 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 81 Y 7.03 4.83 0.00 3.11 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 82 K 8.62 5.06 0.00 2.01 1.93 0.00 1.41 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.09 1.66 7.81 83 F 9.30 5.90 0.00 3.30 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 84 R 9.40 5.21 0.00 1.98 1.97 0.00 3.40 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.08 0.00 85 I 8.46 4.89 1.55 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 1.10 0.43 0.00 0.00 86 R 8.68 4.46 0.00 1.96 2.17 0.00 3.16 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 87 K 7.85 4.82 0.00 1.65 1.78 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.32 7.81 88 F 8.54 4.69 0.00 2.29 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 0.00 0.00 0.00 0.00 89 P 0.00 4.55 0.00 2.11 2.06 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 90 F 8.26 4.50 0.00 3.15 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 91 H 8.35 4.78 0.00 3.39 3.40 0.00 5.78 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.43 4.23 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 0.88 0.00 0.00 0.85 0.00 0.00 93 I 8.88 4.62 1.56 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.27 1.00 0.00 0.00 94 R 8.41 5.11 0.00 1.52 1.86 0.00 2.43 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.22 0.00 95 E 8.26 4.58 0.00 2.19 1.79 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 2.39 2.34 0.00 96 N 8.68 5.21 0.00 2.94 2.66 0.00 0.00 6.85 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 125 V 8.74 4.42 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.88 0.00 0.00 126 H 8.96 4.78 0.00 3.29 3.21 0.00 5.90 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 0.00 127 G 8.56 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 0.00 0.00 0.00 128 A 9.73 3.90 1.39 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 0.00 0.00 129 N 8.01 4.83 0.00 2.67 2.66 0.00 0.00 6.54 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.18 5.13 0.00 3.01 3.19 0.00 5.51 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.50 3.94 1.64 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 1.00 0.64 0.00 0.00 132 F 7.60 5.32 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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141 N 7.94 4.74 0.00 2.53 2.70 0.00 0.00 6.75 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 0.00 142 V 7.25 3.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 -0.38 0.00 0.00 143 E 7.89 3.89 0.00 1.94 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 2.43 2.36 0.00 144 E 7.93 4.04 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.68 0.00 145 A 7.77 3.92 1.07 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 0.00 0.00 146 W 7.77 4.80 0.00 3.46 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 0.00 147 R 7.42 3.95 0.00 1.84 1.88 0.00 3.21 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 148 R 7.76 4.10 0.00 1.79 1.87 0.00 2.83 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 149 A 7.84 4.04 1.39 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 0.00 0.00 150 K 8.01 4.26 0.00 1.87 1.93 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.52 7.81 151 M 7.62 4.19 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 152 K 7.87 4.66 0.00 1.79 1.77 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.37 7.81 153 V 7.43 4.51 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 0.76 0.00 0.00 0.95 0.00 0.00 154 T 8.95 4.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 155 P 0.00 4.50 0.00 2.15 2.04 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 156 T 8.08 4.42 4.23 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 1.24 0.00 0.00 157 I 8.10 5.09 1.84 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 1.19 0.75 0.84 0.00 0.00 158 N 9.01 4.86 0.00 2.87 2.62 0.00 0.00 7.55 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 0.00 159 I 8.53 4.61 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 1.17 0.00 0.00 160 D 8.90 4.93 0.00 2.73 2.51 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 0.00 161 S 8.72 4.73 0.00 3.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 S 9.39 4.34 0.00 3.96 3.65 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 0.00 163 P 0.00 4.36 0.00 2.33 2.12 0.00 3.79 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 164 A 7.99 4.76 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 0.00 165 G 8.22 4.09 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 0.00 166 N 7.99 4.73 0.00 2.73 2.81 0.00 0.00 7.02 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 0.00 167 A 7.59 4.30 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 * Residues marked with a * may have inaccurate shift predictions.