NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4028 8.3344 116.7924 57.9661 64.4652 172.8190 3 H 3.9325 8.4779 120.9572 54.1692 30.1579 173.3680 4 P 4.2505 0.0000 0.0000 66.4887 31.7175 177.8011 5 D 4.4625 8.3563 117.3115 56.2201 40.6808 177.8746 6 L 3.8890 8.0458 121.9861 58.3657 41.9762 178.5236 7 N 4.3238 7.9917 115.8053 56.4654 38.5744 177.4495 8 K 4.0151 8.0236 119.7377 59.3831 31.6432 179.1284 9 L 4.1228 8.0186 120.3123 57.6643 41.7395 178.6922 10 L 4.2310 7.7029 117.9724 57.0460 41.6642 178.5671 11 E 4.2439 7.8697 118.1562 59.0556 29.7365 178.5497 12 L 4.3396 8.0038 118.0091 56.3893 41.8662 178.4347 13 W 4.5512 7.9752 128.2677 60.3162 30.5878 175.6843 14 P 4.1057 0.0000 0.0000 66.7142 30.3914 177.8484 15 H 4.1762 7.8593 115.6266 58.2366 28.4719 177.9393 16 I 3.7065 8.0661 122.3402 64.1183 36.8902 177.9424 17 Q 3.6737 7.3939 119.8508 59.0994 28.7821 178.0882 18 E 3.8671 7.9572 119.4086 59.5441 29.0647 178.6690 19 Y 3.8873 7.5573 118.0418 60.6687 38.7456 177.9849 20 Q 3.8802 7.9255 120.4452 59.3148 28.9462 177.9056 21 D 4.2642 8.4170 119.1378 57.2396 40.5589 178.2709 22 L 4.0038 8.3648 121.0556 57.8767 41.9604 178.8934 23 A 3.8355 8.1729 121.2925 54.8625 18.1035 179.3126 24 L 4.1668 7.8555 119.1665 56.8860 42.2067 178.1475 25 K 4.2523 7.4370 116.5782 57.3559 32.2827 176.2841 26 H 4.6836 8.0637 114.6542 56.1506 29.7075 174.1233 27 G 3.7849 8.5338 105.8926 45.7531 0.0000 173.5998 28 I 4.3089 7.4316 120.6283 59.3331 38.0923 176.2262 29 N 4.4226 8.6718 123.3639 54.9649 38.9431 175.2807 30 D 4.4059 7.5564 117.3847 53.1348 43.6274 174.8107 31 I 4.0224 8.8200 120.8543 62.3138 38.0227 176.7998 32 F 5.4737 7.7431 120.2233 56.8521 39.6264 175.3560 33 Q 4.5963 8.1281 116.8354 56.2490 32.4245 174.0630 34 D 4.4902 9.7514 118.7405 55.3728 38.7542 173.5230 35 N 4.2816 8.1575 112.6966 54.5976 35.3343 176.7665 36 G 4.1093 7.9639 104.8895 48.4560 0.0000 175.7148 37 G 4.1429 8.4388 107.6465 47.4610 0.0000 175.5031 38 K 4.0051 8.0392 120.9234 58.8852 31.9903 179.0221 39 L 4.1106 8.7698 121.4555 57.4113 41.9363 178.6527 40 L 3.8110 8.1864 121.0460 58.2385 42.0402 178.5089 41 Q 3.9269 7.7332 117.4802 59.4782 28.7572 179.9201 42 V 3.5220 7.5412 117.6497 65.9949 31.4840 177.9272 43 L 3.9195 7.7182 118.3044 57.8922 41.3345 179.3683 44 L 4.0819 7.6485 117.9888 58.3390 41.5824 179.3248 45 I 3.8247 7.5146 119.6976 64.2212 37.1947 177.9795 46 T 4.0463 8.2414 111.6462 62.0648 69.1074 174.3108 47 G 3.8652 8.2636 110.2600 46.7377 0.0000 173.5954 48 L 4.6360 7.7337 117.7004 53.6020 44.1919 176.7014 49 T 4.6891 8.6341 115.9516 62.0224 72.5036 173.6768 50 V 4.4335 8.4572 119.1393 60.1425 32.7414 175.4070 51 L 4.5216 8.3843 125.8083 52.0876 43.0284 174.3281 52 P 4.3317 0.0000 0.0000 64.2699 31.3928 175.6431 53 G 3.8920 8.6723 106.3878 46.5551 0.0000 174.1848 54 R 4.1808 7.3047 115.0602 55.7009 30.2797 176.8531 55 E 4.4161 8.0101 120.5846 54.2105 29.4824 176.8828 56 G 3.9899 8.5619 115.2226 44.5459 0.0000 173.3639 57 N 5.1789 8.8151 117.3941 51.1337 38.3554 171.4087 58 D 4.9716 7.9430 117.1755 51.4109 42.6416 176.6875 59 A 5.0141 8.2784 124.1009 50.3021 22.6268 175.2464 60 V 5.5048 9.2368 111.5514 58.7500 36.3909 175.3539 61 D 5.1608 8.5381 122.0695 51.5933 42.3193 176.9019 62 N 4.4071 8.9191 112.4282 54.8303 38.1811 175.4183 63 A 4.5808 8.4931 119.7651 51.3972 19.9016 177.6696 64 G 3.8819 8.4426 104.6417 46.1080 0.0000 174.0225 65 Q 3.9668 8.1398 120.0888 55.7164 29.4351 175.2486 66 E 4.5654 8.5542 126.1665 56.1581 30.4108 175.0909 67 Y 5.1673 9.3305 123.3838 56.1784 42.9826 173.7048 68 E 4.6524 9.1603 120.9681 54.3406 32.4394 174.2980 69 L 5.0061 7.9076 125.3274 52.8529 43.9539 176.0758 70 K 4.6515 8.4137 122.8075 54.5904 35.3845 175.1674 71 S 5.4897 8.5785 116.0164 57.1658 66.0429 172.7466 72 I 4.3699 8.4839 121.5268 60.2012 41.8891 173.1564 73 N 5.3880 8.6810 127.9076 51.6887 37.9295 175.0217 74 I 3.6030 8.6372 125.8188 63.5129 37.6609 176.5048 75 D 4.7240 8.4669 118.5530 54.3536 40.9820 176.4559 76 L 4.6869 8.1876 114.5821 56.6883 44.3992 175.6146 77 T 4.7119 7.5910 108.6324 60.4607 71.2982 173.5488 78 K 4.6223 8.2672 122.9009 55.5664 33.3274 175.6829 79 G 4.1925 7.7099 103.3136 45.2240 0.0000 174.4054 80 F 4.6848 9.4081 123.7533 57.6034 40.2722 175.1675 81 S 4.6800 8.8637 117.8033 58.4029 63.8758 172.1151 82 T 4.6131 8.7747 107.5807 62.0204 71.5919 173.1716 83 H 4.8073 7.4812 118.4408 53.8817 33.5064 174.4482 84 H 4.2578 8.7463 125.3800 59.0650 30.2999 173.9260 85 H 5.0451 7.7099 114.7372 53.7118 28.4846 172.6660 86 M 4.2108 9.2130 121.8996 55.7825 34.0013 174.8969 87 N 3.9668 8.0274 120.6598 50.5481 40.1818 173.4454 88 P 4.0867 0.0000 0.0000 65.2887 30.8821 179.2394 89 V 3.4996 7.9944 116.9740 66.1887 31.7407 177.7624 90 I 3.7085 7.7986 119.1084 64.0895 36.9295 177.9879 91 I 3.6468 8.0218 120.1126 64.7147 36.8785 177.5763 92 A 4.3792 7.5040 116.6198 52.5318 18.0581 177.7146 93 K 4.4499 8.5510 118.6263 57.3327 34.1839 176.8817 *94 Y 4.6273 8.0713 117.6736 58.4373 38.2694 183.4102 95 R 3.9885 7.5547 115.9259 58.0355 29.3309 177.2011 96 Q 4.2421 7.9019 115.4658 57.6483 29.4081 175.8983 97 V 4.6607 8.2591 110.8593 58.7204 35.7622 173.9101 98 P 4.9661 0.0000 0.0000 62.5379 32.9564 175.1585 99 W 5.4354 9.3866 122.7254 55.2200 31.9527 174.8595 100 I 4.9557 8.9818 125.5094 59.8827 39.4716 174.7161 101 F 5.2040 9.5373 124.0557 55.7831 42.3498 173.9078 102 A 5.3333 9.3216 126.1698 50.5944 21.5045 175.5951 103 I 4.9589 8.7822 121.5531 59.8838 40.8536 174.4731 104 Y 5.1753 9.2432 122.3841 56.5686 42.6419 174.6044 105 R 5.0506 8.9755 120.9432 52.8516 30.1682 176.9904 106 G 4.0436 9.2406 116.2176 45.1575 0.0000 174.0448 107 I 4.4004 8.2620 111.2988 57.9156 36.7417 175.8468 108 A 4.4813 7.7658 125.4010 51.5907 20.2002 174.7482 109 I 3.4972 8.1546 120.9586 62.0103 38.2700 175.2460 110 E 4.5800 8.6421 128.5701 57.1024 30.9764 174.8771 111 A 4.5800 7.5697 118.9085 51.8613 23.0078 175.4856 112 I 5.5056 7.5963 119.0726 60.4296 40.7930 174.6459 113 Y 4.9934 8.9258 124.8891 56.5628 40.8651 174.6835 114 R 5.3641 8.9551 120.1943 54.8251 34.0029 173.8598 115 L 5.0610 9.3538 124.7901 53.1324 45.6972 175.6131 116 E 4.9093 9.2397 122.3949 54.7118 31.1355 175.7745 117 P 4.2797 0.0000 0.0000 65.5500 31.0622 179.0169 118 K 3.9821 7.9927 117.5353 59.6417 32.2875 178.0754 119 D 4.4954 8.1018 118.2506 57.3463 41.0350 178.4124 120 L 4.0201 7.9120 118.2214 56.4739 41.7327 178.6872 121 E 3.9387 7.7804 119.5693 59.7702 28.5906 178.9401 122 F 3.9127 8.2265 119.6841 61.5111 39.2276 176.6273 123 Y 3.1859 7.7117 116.0889 60.3480 37.8089 177.5127 124 Y 4.2087 6.6201 116.9113 60.9250 37.8196 178.1378 125 D 4.3562 7.9622 120.1341 57.3089 41.0039 178.9290 126 K 3.9222 7.0721 119.3634 58.9406 31.9461 179.5048 127 W 4.6362 7.9505 119.1269 59.6311 29.0002 178.6274 128 E 4.2498 8.5426 118.7501 59.3897 28.6381 178.7838 129 R 4.0007 7.8912 118.9253 59.7815 30.0397 178.1758 130 K 3.9322 8.2361 118.4059 59.4665 32.3161 178.3401 131 W 4.3169 8.5184 128.5840 61.1247 30.2971 177.4518 132 Y 3.8884 8.6343 115.6395 59.6915 36.0939 177.1632 133 S 4.6481 7.5156 112.7387 57.9656 64.1584 175.4219 134 D 4.5636 8.5244 121.9306 55.6447 41.0032 176.1672 135 G 3.9860 7.2773 107.9034 46.0885 0.0000 172.9265 136 H 2.0000 7.0636 113.0717 55.2581 26.6738 174.9765 137 K 4.3264 7.4349 119.7608 54.9094 32.8652 175.6594 138 D 4.9355 8.8933 126.2976 55.0610 41.9616 175.8941 139 I 4.1962 8.4331 123.0078 59.8434 38.9506 174.8528 140 N 5.2763 8.7705 126.9350 52.0929 37.9157 173.7593 141 N 4.0525 8.5681 127.4317 53.6979 37.4866 172.7293 142 P 4.4046 0.0000 0.0000 62.4388 32.3417 178.4507 143 K 4.7293 8.6972 123.9350 55.9445 33.9156 176.2346 144 I 4.2681 8.4369 123.1857 58.5067 39.8631 173.8482 145 P 4.8086 0.0000 0.0000 62.7795 32.1279 177.5461 146 V 3.8118 8.3918 116.0692 64.5534 31.4975 178.4233 147 K 3.7695 8.2529 118.8013 59.9972 31.5957 177.6756 148 Y 3.9931 8.0241 117.7119 60.6677 38.9743 177.8532 149 V 3.5553 7.7271 118.6921 66.3405 31.4559 178.0296 150 M 2.8640 8.1011 117.1061 57.1514 31.7279 177.5411 151 E 4.3724 7.5189 116.1411 56.2535 30.0855 175.8886 152 H 4.6155 7.7214 113.7308 54.8360 30.7079 172.3976 153 G 4.4755 7.6698 106.0595 44.4708 0.0000 171.9219 154 T 4.6559 8.2590 110.0686 60.2339 70.6083 174.2747 155 K 4.0302 8.6919 127.1143 56.4338 32.3182 176.2214 156 I 4.3481 8.4999 127.5863 61.9323 39.3235 175.2763 157 Y 4.0630 7.4784 126.8752 57.9936 38.4700 173.5919 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 S 8.33 4.40 0.00 3.86 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 3 H 8.48 3.93 0.00 3.22 3.13 0.00 5.69 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 4 P 0.00 4.25 0.00 2.33 2.32 0.00 3.56 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 2.05 2.03 0.00 5 D 8.36 4.46 0.00 2.50 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.05 3.89 0.00 1.72 1.80 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.99 4.32 0.00 2.87 2.87 0.00 0.00 7.04 8.60 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 8 K 8.02 4.02 0.00 1.95 1.87 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.45 7.81 9 L 8.02 4.12 0.00 1.69 1.81 0.83 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.70 4.23 0.00 1.82 1.73 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.87 4.24 0.00 2.20 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 2.38 2.38 0.00 12 L 8.00 4.34 0.00 1.85 1.82 0.97 0.88 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 13 W 7.98 4.55 0.00 3.63 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 14 P 0.00 4.11 0.00 2.13 2.29 0.00 3.91 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 15 H 7.86 4.18 0.00 3.35 3.41 0.00 5.81 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 16 I 8.07 3.71 0.85 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 1.58 0.84 0.65 0.00 0.00 17 Q 7.39 3.67 0.00 1.80 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.05 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 18 E 7.96 3.87 0.00 2.21 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 0.00 2.28 2.49 0.00 19 Y 7.56 3.89 0.00 3.02 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 20 Q 7.93 3.88 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 21 D 8.42 4.26 0.00 2.73 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 22 L 8.36 4.00 0.00 1.67 1.56 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.17 3.84 1.18 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 24 L 7.86 4.17 0.00 1.78 1.77 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.44 4.25 0.00 1.76 1.93 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.38 7.81 26 H 8.06 4.68 0.00 3.13 3.19 0.00 5.94 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 G 8.53 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 28 I 7.43 4.31 1.80 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 1.46 1.00 0.86 0.00 0.00 29 N 8.67 4.42 0.00 2.70 2.86 0.00 0.00 6.88 8.05 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 30 D 7.56 4.41 0.00 2.58 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 31 I 8.82 4.02 1.85 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 1.09 -0.36 0.92 0.00 0.00 32 F 7.74 5.47 0.00 3.13 2.98 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 33 Q 8.13 4.60 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 6.27 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 34 D 9.75 4.49 0.00 2.75 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 35 N 8.16 4.28 0.00 2.91 2.91 0.00 0.00 6.84 7.95 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 36 G 7.96 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.44 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.04 4.01 0.00 1.84 1.62 0.00 1.67 0.00 0.00 1.17 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.58 1.24 7.81 39 L 8.77 4.11 0.00 1.73 1.78 0.91 -0.60 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 40 L 8.19 3.81 0.00 1.84 1.74 0.70 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.73 3.93 0.00 2.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 42 V 7.54 3.52 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 0.99 0.00 0.00 0.99 0.00 0.00 43 L 7.72 3.92 0.00 1.86 1.64 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.65 4.08 0.00 1.55 1.67 0.78 0.72 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 45 I 7.51 3.82 1.83 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 1.41 0.57 0.70 0.00 0.00 46 T 8.24 4.05 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 1.16 0.00 0.00 47 G 8.26 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 0.00 0.00 0.00 48 L 7.73 4.64 0.00 1.49 1.60 0.71 0.85 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 49 T 8.63 4.69 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 1.21 0.00 0.00 50 V 8.46 4.43 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 0.68 0.00 0.00 1.00 0.00 0.00 51 L 8.38 4.52 0.00 1.69 1.57 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.33 0.00 2.16 2.08 0.00 3.87 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 1.99 1.99 0.00 53 G 8.67 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.30 4.18 0.00 1.74 2.19 0.00 3.03 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 55 E 8.01 4.42 0.00 1.99 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 2.26 2.22 0.00 56 G 8.56 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 57 N 8.82 5.18 0.00 2.59 2.64 0.00 0.00 6.60 8.04 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 58 D 7.94 4.97 0.00 2.72 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 59 A 8.28 5.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 9.24 5.50 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 61 D 8.54 5.16 0.00 2.81 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 62 N 8.92 4.41 0.00 2.74 2.92 0.00 0.00 6.57 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.49 4.58 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 64 G 8.44 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 65 Q 8.14 3.97 0.00 2.28 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 66 E 8.55 4.57 0.00 1.94 1.77 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 2.27 2.34 0.00 67 Y 9.33 5.17 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.16 4.65 0.00 1.73 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 69 L 7.91 5.01 0.00 1.45 1.46 0.88 0.79 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 70 K 8.41 4.65 0.00 0.95 1.72 0.00 1.51 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.61 1.16 7.81 71 S 8.58 5.49 0.00 3.90 3.72 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 72 I 8.48 4.37 1.48 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 0.97 0.82 0.77 0.00 0.00 73 N 8.68 5.39 0.00 2.80 2.69 0.00 0.00 7.12 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.64 3.60 2.10 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 1.21 0.96 0.95 0.00 0.00 75 D 8.47 4.72 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.19 4.69 0.00 1.71 1.69 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.59 4.71 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 78 K 8.27 4.62 0.00 1.70 1.81 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.40 7.81 79 G 7.71 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 0.00 0.00 0.00 0.00 80 F 9.41 4.68 0.00 3.28 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.86 4.68 0.00 3.82 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 82 T 8.77 4.61 4.37 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 1.58 0.00 0.00 83 H 7.48 4.81 0.00 3.11 3.07 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.75 4.26 0.00 3.16 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.71 5.05 0.00 3.07 3.41 0.00 5.76 0.00 0.00 0.00 0.00 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 9.21 4.21 0.00 1.92 1.68 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.90 0.00 87 N 8.03 3.97 0.00 1.76 2.66 0.00 0.00 6.13 7.70 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 88 P 0.00 4.09 0.00 1.78 2.05 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.62 0.00 89 V 7.99 3.50 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 0.77 0.00 0.00 0.83 0.00 0.00 90 I 7.80 3.71 1.91 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.59 0.84 0.00 0.00 91 I 8.02 3.65 1.84 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.90 0.76 0.00 0.00 92 A 7.50 4.38 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 93 K 8.55 4.45 0.00 1.84 1.79 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.31 7.81 *94 Y 8.07 4.63 0.00 2.20 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 0.00 0.00 0.00 95 R 7.55 3.99 0.00 1.80 1.60 0.00 2.91 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 96 Q 7.90 4.24 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 97 V 8.26 4.66 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 0.73 0.00 0.00 1.08 0.00 0.00 98 P 0.00 4.97 0.00 2.47 2.24 0.00 3.56 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 99 W 9.39 5.44 0.00 3.48 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 0.00 100 I 8.98 4.96 1.80 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 1.02 0.65 0.92 0.00 0.00 101 F 9.54 5.20 0.00 2.98 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 0.00 102 A 9.32 5.33 1.40 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 0.00 0.00 0.00 103 I 8.78 4.96 2.04 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.05 1.02 0.00 0.00 104 Y 9.24 5.18 0.00 3.00 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 0.00 105 R 8.98 5.05 0.00 1.73 1.89 0.00 3.35 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 106 G 9.24 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 0.00 0.00 0.00 107 I 8.26 4.40 1.87 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 1.35 0.80 0.85 0.00 0.00 108 A 7.77 4.48 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 0.00 109 I 8.15 3.50 0.85 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 1.04 0.55 0.67 0.00 0.00 110 E 8.64 4.58 0.00 2.00 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 2.31 2.28 0.00 111 A 7.57 4.58 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 0.00 112 I 7.60 5.51 1.93 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 0.95 0.00 0.00 113 Y 8.93 4.99 0.00 3.03 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 0.00 114 R 8.96 5.36 0.00 1.95 1.96 0.00 3.09 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 115 L 9.35 5.06 0.00 1.88 1.60 0.79 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.24 4.91 0.00 2.21 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 2.37 2.49 0.00 117 P 0.00 4.28 0.00 2.21 2.39 0.00 3.66 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 2.17 2.41 0.00 118 K 7.99 3.98 0.00 1.77 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.55 7.81 119 D 8.10 4.50 0.00 2.82 2.73 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 0.00 120 L 7.91 4.02 0.00 1.49 0.93 0.42 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.78 3.94 0.00 2.06 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 2.63 2.55 0.00 122 F 8.23 3.91 0.00 2.95 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 0.00 123 Y 7.71 3.19 0.00 2.12 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 0.00 124 Y 6.62 4.21 0.00 2.93 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 0.00 125 D 7.96 4.36 0.00 2.69 2.56 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 0.00 126 K 7.07 3.92 0.00 1.64 1.73 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 0.92 7.81 127 W 7.95 4.64 0.00 3.55 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 0.00 128 E 8.54 4.25 0.00 2.35 2.29 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 2.59 2.48 0.00 129 R 7.89 4.00 0.00 2.24 2.18 0.00 3.16 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 130 K 8.24 3.93 0.00 2.05 1.98 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 131 W 8.52 4.32 0.00 3.49 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.63 3.89 0.00 3.35 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 0.00 133 S 7.52 4.65 0.00 4.04 4.08 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 0.00 134 D 8.52 4.56 0.00 2.83 2.60 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 0.00 0.00 0.00 0.00 135 G 7.28 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 0.00 136 H 7.06 2.00 0.00 2.73 2.28 0.00 5.84 0.00 0.00 0.00 0.00 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.43 4.33 0.00 1.62 1.83 0.00 2.03 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.38 7.81 138 D 8.89 4.94 0.00 2.69 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 0.00 139 I 8.43 4.20 1.65 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 1.16 0.78 0.80 0.00 0.00 140 N 8.77 5.28 0.00 2.67 2.72 0.00 0.00 7.26 7.78 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 0.00 141 N 8.57 4.05 0.00 2.71 2.73 0.00 0.00 7.16 7.51 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 0.00 142 P 0.00 4.40 0.00 1.28 1.65 0.00 3.33 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 0.99 1.70 0.00 143 K 8.70 4.73 0.00 1.69 1.90 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 144 I 8.44 4.27 2.11 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 0.64 0.90 0.80 0.00 0.00 145 P 0.00 4.81 0.00 2.35 2.30 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 146 V 8.39 3.81 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 0.58 0.00 0.00 0.94 0.00 0.00 147 K 8.25 3.77 0.00 1.83 1.89 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.51 7.81 148 Y 8.02 3.99 0.00 3.10 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 0.00 149 V 7.73 3.56 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 0.50 0.00 0.00 0.45 0.00 0.00 150 M 8.10 2.86 0.00 1.66 1.89 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.03 0.00 151 E 7.52 4.37 0.00 1.73 1.71 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 2.14 2.34 0.00 152 H 7.72 4.62 0.00 2.66 2.97 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.67 4.48 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 0.00 0.00 0.00 154 T 8.26 4.66 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 1.26 0.00 0.00 155 K 8.69 4.03 0.00 1.68 1.61 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.71 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.06 0.49 7.81 156 I 8.50 4.35 2.05 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 1.12 0.77 0.92 0.00 0.00 157 Y 7.48 4.06 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.