NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8861 8.2833 118.0887 53.1713 39.9845 171.8511 3 I 4.9435 8.3765 123.2467 58.6654 40.4636 173.3027 4 G 2.4599 8.5871 114.1220 43.6793 0.0000 171.7275 5 V 4.4037 8.3344 124.4003 61.1236 33.7218 174.5157 6 I 4.5542 8.5354 129.4663 59.7929 39.2344 175.1801 7 I 4.4480 8.6411 130.5820 59.8045 38.0398 175.3761 8 L 4.4573 8.8740 129.1324 54.0678 42.5694 178.2919 9 A 4.8194 8.4673 123.8323 52.2944 21.0044 175.9665 10 A 4.2834 8.2335 121.9806 53.1368 19.6456 178.2155 11 G 4.5008 7.7900 105.4893 44.4886 0.0000 173.9121 12 E 4.3910 8.5208 117.5731 57.3997 30.3801 178.1093 13 G 3.7811 8.6681 110.3979 47.3800 0.0000 175.0407 14 K 4.5883 8.5922 125.1964 54.5778 32.0935 173.5912 15 R 4.4180 7.6384 120.0209 56.4136 30.9431 176.0297 16 F 4.5988 8.7219 118.1159 56.5496 39.8204 174.3408 17 G 4.6051 9.3573 120.8834 46.5282 0.0000 170.6367 18 G 4.0953 8.2168 118.6825 46.4546 0.0000 174.2098 19 D 3.9637 7.0501 118.6503 54.9360 40.5385 178.6059 20 K 3.5479 7.8044 119.1737 58.6146 32.2568 179.0395 21 L 4.2460 7.8284 115.8471 56.2123 41.4709 178.1979 22 L 4.2931 7.6640 118.1004 55.1086 42.5336 177.0466 23 A 4.1081 7.7794 122.2329 52.1185 18.8307 176.8559 24 K 4.7837 8.1169 119.1015 55.4726 34.0971 177.4426 25 I 4.2257 8.2112 121.1467 61.8376 39.3327 174.5653 26 D 4.3759 8.8657 128.6278 55.6547 37.1537 176.0092 27 N 4.5005 8.5771 113.8107 53.5372 36.8879 174.5643 28 T 4.6192 7.2433 107.9915 58.5677 71.1956 171.8082 29 P 4.6549 0.0000 0.0000 63.1403 31.9722 175.8111 30 I 3.7046 8.7793 125.0549 64.8982 37.4139 178.5967 31 I 3.6800 7.5430 118.8044 61.9999 38.7336 177.4698 *33 R 4.1981 8.1879 119.6050 56.2083 31.2661 177.3693 34 T 3.9023 8.0755 114.5675 67.0034 68.2344 176.6615 35 I 3.9485 7.8953 121.4818 64.2269 37.1466 178.3990 36 R 3.9302 7.8740 119.6125 59.3625 29.6230 178.6003 37 I 3.6750 7.2516 111.0613 63.7267 37.7011 176.2969 38 Y 4.2840 7.8866 117.0428 58.1345 38.7727 177.1217 39 G 3.7604 7.5028 111.6776 46.8228 0.0000 176.4539 40 D 4.6936 8.7969 126.8688 53.2396 39.5475 175.8543 41 L 4.2488 7.7214 119.3326 55.5847 42.3201 177.2176 42 E 4.3553 8.6429 120.1154 56.5306 29.6634 176.7587 43 K 4.8548 8.4116 123.9350 54.9274 34.6049 176.3902 44 I 4.2063 7.8106 119.4738 60.3512 41.4161 172.7222 45 I 4.8233 8.5473 130.7418 59.6903 39.7720 174.6105 46 I 4.6489 8.5199 128.4846 60.0105 38.7285 174.7526 47 V 4.1470 9.1003 128.3031 61.9306 33.8099 174.2247 48 G 3.9251 8.6279 113.0162 45.1164 0.0000 174.2146 49 K 2.4800 7.2074 121.6451 58.0313 33.3589 177.1131 50 Y 4.8038 7.0858 113.6559 56.4389 38.6427 176.7700 51 V 3.5576 7.7064 121.6729 66.3518 32.1279 176.7467 52 N 4.4068 8.1539 114.9742 56.5767 38.4146 176.1150 53 E 4.0800 7.8745 112.7170 57.5349 29.3443 177.5627 *55 L 4.3776 7.9637 120.5798 54.4704 43.3215 177.2989 56 P 4.2747 0.0000 0.0000 64.5478 31.2781 176.8104 57 L 4.3848 7.7346 116.0958 54.3855 42.6374 176.0088 58 L 4.4768 8.3264 120.3749 52.9876 42.8158 176.2980 *60 D 4.7446 8.5385 123.0437 52.7595 40.7088 174.9216 61 Q 4.6146 8.1422 117.3941 54.5690 32.3085 174.9564 62 I 4.1863 7.9864 119.9308 60.4451 38.3573 175.0438 63 V 4.7647 8.3191 127.3134 60.9956 33.8537 174.5140 64 I 4.4678 8.5762 128.8150 59.6601 39.5625 173.8991 65 Y 4.9811 8.6844 128.9540 56.9367 39.9916 174.2334 66 N 4.6326 8.9739 127.2578 51.3997 39.2628 173.6841 67 P 4.0037 0.0000 0.0000 64.1138 31.6984 177.0273 68 F 4.6122 7.6921 117.5858 56.8386 39.6571 176.9498 69 W 4.3153 8.0527 121.3908 59.6684 27.7562 177.8820 70 N 3.3646 6.3113 115.9449 55.7415 38.5788 175.3109 71 E 3.9044 8.1521 119.4231 57.4980 30.0890 175.8496 72 G 4.5235 7.4342 104.8622 42.9487 0.0000 173.9609 73 I 4.0574 9.6068 123.1503 63.2199 37.7953 178.3316 74 S 4.1251 8.1324 115.4400 61.5072 62.4075 176.4367 75 T 3.8110 7.7739 116.6315 64.9997 67.0065 176.4296 76 S 4.2525 7.8783 116.6993 61.2857 63.1148 175.8963 77 L 3.9053 8.0215 123.1282 58.4286 41.5541 179.3582 78 K 4.0154 8.0070 116.9660 58.8835 32.0684 178.9393 79 L 4.1745 7.5885 120.8430 58.2711 42.0113 179.4224 80 G 3.5475 8.2271 105.6843 47.5631 0.0000 175.3522 81 L 3.9804 7.9930 122.3192 57.6349 41.8187 179.3126 82 R 3.9147 7.6944 118.5423 59.1834 29.7923 178.5802 83 F 4.0025 7.8683 118.8126 60.0280 39.3691 175.5404 84 F 4.8773 7.5689 115.7373 56.7381 40.1528 176.5869 85 K 3.8478 7.8595 123.5880 59.9789 32.0234 177.2531 86 D 4.8494 8.2071 115.5735 53.1780 39.7271 175.7738 87 Y 4.4147 8.4362 118.4660 57.8578 38.9429 175.4318 88 D 4.7005 9.0027 121.0514 57.6499 42.0557 176.4638 89 A 5.0865 7.8106 117.1321 51.3119 22.9185 175.5001 90 V 4.6459 8.8029 112.3074 59.5048 35.7806 174.9732 91 L 4.4516 8.8361 127.5622 54.2221 43.2058 175.7747 92 V 4.2147 8.5142 128.0457 61.7891 31.0370 174.7880 93 A 4.6828 8.5346 129.3806 50.3187 21.4054 175.3177 94 L 4.7545 8.2600 119.4886 52.8351 43.2036 176.8372 95 G 3.8315 9.4304 112.7120 49.4090 0.0000 174.6155 96 D 4.6195 7.9487 122.7295 51.6561 37.5393 174.4296 *98 P 4.3435 0.0000 0.0000 62.9549 33.0693 178.0023 99 F 4.8782 7.4186 117.4805 57.8802 40.1599 176.2685 100 V 3.7796 7.7171 120.7091 61.7652 32.0189 176.1778 101 T 4.5078 9.0929 113.4599 59.9987 72.0271 176.0021 102 K 3.7415 8.3645 121.1717 59.7801 31.9909 179.0933 103 E 3.9426 8.2064 118.1304 59.7506 29.3215 179.0703 104 D 4.3450 7.9032 118.4694 57.5042 40.9136 179.1535 105 V 3.5929 7.6340 118.5778 65.6895 31.4541 177.6678 106 N 4.3095 8.3748 117.3408 56.5027 38.9697 176.9786 107 K 3.9678 8.2321 119.9609 59.5902 31.9828 179.1667 108 I 3.7454 7.6772 118.5982 64.8069 36.9320 178.3534 109 I 3.9435 7.9437 120.3008 64.2709 36.7112 177.8957 110 N 4.5889 8.1529 115.7150 55.2983 38.5881 176.5732 111 T 4.4527 7.4998 115.4287 63.0181 68.9814 174.4256 112 F 4.5831 7.5770 123.7124 57.9324 39.6013 174.3139 113 K 4.3729 8.0492 126.3367 53.3531 35.4963 175.4536 114 P 4.0170 0.0000 0.0000 66.1833 31.2984 178.6754 115 N 4.4792 7.8794 114.0983 54.5745 37.9084 180.2462 116 C 4.7863 7.8542 115.3099 57.2430 36.3772 173.8626 117 K 4.1881 9.2772 124.8812 59.0814 33.0867 176.9295 118 A 4.5998 7.6304 118.0776 50.9503 22.6305 175.2894 119 V 4.5024 8.5316 121.6438 61.2835 34.2541 174.7252 120 I 5.0279 8.6888 128.1854 58.5708 40.4166 173.3714 121 P 4.9030 0.0000 0.0000 63.4922 32.6013 175.4168 122 T 5.1513 9.2734 117.2889 62.7352 73.5079 173.0864 123 H 5.0056 9.3142 123.4534 56.2378 32.1425 173.9383 124 K 3.6274 9.7718 128.6317 57.3976 29.7008 174.5498 125 G 4.2958 8.3236 112.1702 45.3601 0.0000 172.7006 126 E 4.4193 7.6991 117.8832 54.4901 31.1937 175.1827 127 R 4.8837 8.3426 117.4332 55.1696 31.7420 176.4742 128 G 4.2743 8.6561 110.8951 45.1666 0.0000 171.2858 129 N 5.3256 9.0104 119.4566 50.5302 43.3895 172.4112 130 P 4.6559 0.0000 0.0000 62.8908 32.7697 175.5640 131 V 4.2452 8.2611 121.2312 61.4178 33.8448 174.1962 132 L 4.7611 8.6206 130.3346 54.0747 43.0675 174.8533 133 I 4.7407 8.3854 128.3743 59.7393 39.4566 175.5444 134 S 4.8377 8.4210 123.7962 57.4826 64.8986 175.9212 135 K 2.0000 8.3258 127.0939 59.3389 30.8764 180.1105 136 S 4.2350 7.0177 112.8947 61.5967 63.0979 176.0505 137 L 4.3344 8.2907 120.6716 55.2620 41.7192 178.7091 138 F 4.6043 8.0470 121.7192 61.3555 38.5950 177.6836 139 N 4.4428 8.2392 117.6861 57.5324 37.8076 178.9261 140 E 4.3316 8.1782 120.5367 59.4107 29.6852 179.1609 141 I 3.7843 8.0006 121.0547 64.7506 37.7601 178.2952 142 E 4.0864 8.1381 120.7954 61.6848 29.5714 182.2233 143 K 4.3283 7.7851 122.8655 58.3966 32.0580 180.1881 144 L 4.3134 6.8898 117.0898 55.7206 42.4725 176.7807 145 R 4.7190 8.0478 118.3850 55.1354 35.3510 178.6763 146 G 3.7937 8.1017 109.7229 46.8106 0.0000 173.9735 147 D 4.6280 8.8510 119.9853 53.5359 41.0617 175.0754 148 V 3.9147 7.6823 118.3511 61.3663 32.0271 176.4214 149 G 3.9499 8.3716 116.5779 44.5436 0.0000 173.2912 150 A 4.0473 8.3987 119.3057 54.3627 18.2439 179.5823 151 R 3.9251 8.0632 117.1201 59.3501 29.7703 178.6224 152 V 3.6277 7.1659 117.1488 66.0260 31.9527 177.8096 153 I 3.9333 7.7870 119.3681 63.8696 36.7029 178.1916 154 L 4.1671 7.7517 118.6720 57.1465 41.8415 177.2399 155 N 4.7678 8.0628 116.2734 54.0577 38.4569 175.9631 156 K 4.7397 7.6664 118.9039 53.9016 33.0989 180.3960 157 I 4.6097 7.7885 114.5268 59.7198 40.3103 175.8387 158 K 3.8697 8.7276 124.0592 55.2126 31.4895 176.2879 159 I 4.0250 8.7899 127.5270 63.9793 37.2107 177.8603 160 E 4.5378 8.1411 113.8570 56.4198 29.6029 181.5062 161 E 4.7668 8.7885 117.3913 56.6774 32.1768 175.9378 162 L 4.6699 7.5227 118.3518 54.1267 43.7313 175.9883 163 C 4.5341 8.0012 116.9870 55.9851 43.9985 174.1123 164 F 5.7870 8.6159 122.4710 55.4972 41.5918 175.1684 165 I 4.3514 7.8894 109.4532 60.2961 40.2775 173.2043 166 E 4.7858 8.7037 125.0334 56.6088 30.7006 175.4939 167 C 5.3060 8.7971 122.8004 57.4480 32.3628 173.3417 168 S 4.4456 9.8567 116.1303 58.1959 63.3181 174.8665 169 E 3.7156 8.5453 117.8989 58.5031 29.4062 178.8377 170 G 4.2019 7.6161 107.2253 46.7221 0.0000 175.0334 171 V 4.3498 7.6169 120.2911 63.7396 31.3878 176.6161 172 L 4.7206 8.2287 116.0354 54.9392 43.8063 176.3694 173 I 4.4463 7.2347 118.8261 59.6644 38.6529 174.6745 174 D 5.0747 8.0778 122.3608 51.5045 42.6594 176.8232 175 I 3.7386 8.2987 121.9040 64.9711 37.2471 177.2767 176 D 4.4894 8.1058 120.5187 58.0696 40.7131 178.7470 177 K 3.8951 8.0926 121.4213 57.5133 31.8475 179.3323 178 K 4.2469 7.7494 122.3605 54.9471 31.7463 180.4696 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 2 N 8.28 4.89 0.00 2.97 2.83 0.00 0.00 6.77 6.55 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 3 I 8.38 4.94 1.90 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 1.30 0.82 0.81 0.00 0.00 4 G 8.59 2.46 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 5 V 8.33 4.40 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 0.41 0.00 0.00 0.86 0.00 0.00 6 I 8.54 4.55 1.79 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 1.37 0.81 0.87 0.00 0.00 7 I 8.64 4.45 1.85 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 0.81 0.38 0.84 0.00 0.00 8 L 8.87 4.46 0.00 1.62 1.59 0.91 0.49 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 9 A 8.47 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.23 4.28 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.79 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.52 4.39 0.00 2.25 2.52 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 2.48 2.43 0.00 13 G 8.67 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 14 K 8.59 4.59 0.00 1.78 1.68 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.01 7.81 15 R 7.64 4.42 0.00 2.09 2.02 0.00 3.27 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 16 F 8.72 4.60 0.00 3.01 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 17 G 9.36 4.61 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 18 G 8.22 4.10 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 0.00 0.00 0.00 19 D 7.05 3.96 0.00 2.47 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 0.00 0.00 0.00 20 K 7.80 3.55 0.00 1.02 0.81 0.00 0.64 0.00 0.00 1.38 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.01 0.21 7.81 21 L 7.83 4.25 0.00 1.70 1.72 0.96 0.75 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 22 L 7.66 4.29 0.00 1.71 1.63 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.78 4.11 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 24 K 8.12 4.78 0.00 1.75 1.76 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 25 I 8.21 4.23 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.34 1.04 0.00 0.00 26 D 8.87 4.38 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.58 4.50 0.00 2.90 2.99 0.00 0.00 6.95 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 28 T 7.24 4.62 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 1.25 0.00 0.00 29 P 0.00 4.65 0.00 2.04 2.04 0.00 3.69 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 2.02 2.11 0.00 30 I 8.78 3.70 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.86 0.85 0.00 0.00 31 I 7.54 3.68 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.21 0.90 0.00 0.00 *33 R 8.19 4.20 0.00 1.88 2.02 0.00 3.19 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 34 T 8.08 3.90 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 1.39 0.00 0.00 35 I 7.90 3.95 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.98 0.00 0.00 36 R 7.87 3.93 0.00 1.90 2.20 0.00 3.09 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 37 I 7.25 3.67 1.62 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.31 0.87 0.00 0.00 38 Y 7.89 4.28 0.00 3.11 3.03 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 39 G 7.50 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 40 D 8.80 4.69 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 41 L 7.72 4.25 0.00 1.84 1.68 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.64 4.36 0.00 2.09 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 0.00 2.61 2.54 0.00 43 K 8.41 4.85 0.00 1.64 1.70 0.00 1.88 0.00 0.00 0.61 0.00 0.00 3.19 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.49 7.81 44 I 7.81 4.21 1.82 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.26 0.78 0.00 0.00 45 I 8.55 4.82 1.82 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 0.44 0.88 0.00 0.00 46 I 8.52 4.65 1.85 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 1.06 1.33 0.95 0.00 0.00 47 V 9.10 4.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 48 G 8.63 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.21 2.48 0.00 0.79 1.22 0.00 1.41 0.00 0.00 1.48 0.00 0.00 2.71 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0.00 0.00 *60 D 8.54 4.74 0.00 2.81 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 61 Q 8.14 4.61 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 62 I 7.99 4.19 1.65 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.61 0.00 0.00 63 V 8.32 4.76 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 0.86 0.00 0.00 0.90 0.00 0.00 64 I 8.58 4.47 1.82 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.25 0.90 0.00 0.00 65 Y 8.68 4.98 0.00 2.91 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 66 N 8.97 4.63 0.00 2.77 2.72 0.00 0.00 6.52 7.63 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 67 P 0.00 4.00 0.00 1.62 1.85 0.00 3.67 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.67 0.00 68 F 7.69 4.61 0.00 3.03 2.97 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 69 W 8.05 4.32 0.00 3.63 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 6.31 3.36 0.00 1.44 2.24 0.00 0.00 6.91 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 71 E 8.15 3.90 0.00 2.00 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 2.27 2.22 0.00 72 G 7.43 4.52 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 0.00 73 I 9.61 4.06 1.99 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 1.22 1.77 1.01 0.00 0.00 74 S 8.13 4.13 0.00 4.10 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 0.00 75 T 7.77 3.81 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 1.40 0.00 0.00 76 S 7.88 4.25 0.00 4.05 3.90 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 0.00 111 T 7.50 4.45 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 112 F 7.58 4.58 0.00 2.88 3.19 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 0.00 113 K 8.05 4.37 0.00 1.65 1.50 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.30 7.81 114 P 0.00 4.02 0.00 1.92 2.00 0.00 3.51 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 115 N 7.88 4.48 0.00 2.74 2.73 0.00 0.00 6.71 7.66 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 0.00 116 C 7.85 4.79 0.00 3.29 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 0.00 117 K 9.28 4.19 0.00 1.75 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.54 7.81 118 A 7.63 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.53 4.50 2.05 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 1.06 0.00 0.00 1.06 0.00 0.00 120 I 8.69 5.03 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.94 1.09 0.00 0.00 121 P 0.00 4.90 0.00 2.17 2.23 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 122 T 9.27 5.15 4.34 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 1.29 0.00 0.00 123 H 9.31 5.01 0.00 3.24 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 9.77 3.63 0.00 1.90 1.78 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.00 7.81 125 G 8.32 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 0.00 0.00 0.00 0.00 126 E 7.70 4.42 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 2.31 0.00 127 R 8.34 4.88 0.00 2.04 2.06 0.00 3.10 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 128 G 8.66 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 0.00 0.00 0.00 0.00 129 N 9.01 5.33 0.00 2.59 2.70 0.00 0.00 7.19 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 0.00 130 P 0.00 4.66 0.00 2.14 2.16 0.00 3.81 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 2.09 2.24 0.00 131 V 8.26 4.25 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 1.06 0.00 0.00 1.03 0.00 0.00 132 L 8.62 4.76 0.00 1.74 1.43 0.75 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.39 4.74 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.64 1.05 0.00 0.00 134 S 8.42 4.84 0.00 3.87 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 0.00 135 K 8.33 2.00 0.00 1.75 1.90 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.36 7.81 136 S 7.02 4.24 0.00 3.87 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 0.00 137 L 8.29 4.33 0.00 1.83 1.81 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.05 4.60 0.00 3.09 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 0.00 139 N 8.24 4.44 0.00 2.82 2.74 0.00 0.00 6.68 7.66 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 0.00 140 E 8.18 4.33 0.00 2.21 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 2.43 2.34 0.00 141 I 8.00 3.78 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.61 1.06 0.00 0.00 142 E 8.14 4.09 0.00 2.14 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 2.26 2.20 0.00 143 K 7.79 4.33 0.00 1.89 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.35 7.81 144 L 6.89 4.31 0.00 1.97 1.66 0.93 0.91 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 0.00 145 R 8.05 4.72 0.00 1.80 1.74 0.00 3.25 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 146 G 8.10 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 0.00 147 D 8.85 4.63 0.00 2.65 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 0.00 148 V 7.68 3.91 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 0.81 0.00 0.00 0.98 0.00 0.00 149 G 8.37 3.95 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 0.00 150 A 8.40 4.05 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 0.00 151 R 8.06 3.93 0.00 1.91 1.97 0.00 3.21 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 152 V 7.17 3.63 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 0.90 0.00 0.00 0.94 0.00 0.00 153 I 7.79 3.93 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.94 0.00 0.00 154 L 7.75 4.17 0.00 1.82 1.77 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.06 4.77 0.00 2.70 2.87 0.00 0.00 6.65 8.91 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 0.00 156 K 7.67 4.74 0.00 1.85 1.61 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.20 7.81 157 I 7.79 4.61 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.97 0.00 0.00 158 K 8.73 3.87 0.00 1.70 1.78 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.06 7.81 159 I 8.79 4.02 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.00 1.09 0.00 0.00 160 E 8.14 4.54 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 161 E 8.79 4.77 0.00 1.96 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 2.20 2.25 0.00 162 L 7.52 4.67 0.00 1.33 0.76 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 163 C 8.00 4.53 0.00 2.71 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 0.00 164 F 8.62 5.79 0.00 2.96 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 0.00 165 I 7.89 4.35 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.97 0.00 0.00 166 E 8.70 4.79 0.00 1.94 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 2.40 2.28 0.00 167 C 8.80 5.31 0.00 2.83 3.22 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 0.00 168 S 9.86 4.45 0.00 3.92 4.04 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 0.00 169 E 8.55 3.72 0.00 2.05 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 2.29 2.29 0.00 170 G 7.62 4.20 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 0.00 0.00 0.00 171 V 7.62 4.35 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 1.52 0.00 0.00 1.00 0.00 0.00 172 L 8.23 4.72 0.00 1.68 1.65 1.00 0.91 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 0.00 173 I 7.23 4.45 2.02 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 0.99 0.00 0.00 174 D 8.08 5.07 0.00 2.81 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 0.00 175 I 8.30 3.74 1.55 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 1.45 0.95 1.20 0.00 0.00 176 D 8.11 4.49 0.00 2.72 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 K 8.09 3.90 0.00 1.79 1.76 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.29 7.81 178 K 7.75 4.25 0.00 1.75 1.59 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.