NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4982 8.3349 115.4203 57.9679 65.0505 174.2063 1 M 4.2623 7.9875 118.4605 53.5687 33.1099 174.7085 2 S 4.5570 8.6180 114.2349 57.5840 65.5594 173.4006 3 Q 4.5503 8.3841 120.3492 55.6875 30.5560 174.8122 4 V 5.1204 8.6908 120.4419 61.2525 34.9996 174.3350 5 F 5.5771 9.0947 120.3015 55.1955 41.8349 173.3256 6 F 5.7591 9.5130 119.0981 56.1253 42.2338 173.9339 7 D 5.5048 9.7071 123.4701 52.7634 43.0550 175.4141 8 V 4.7628 9.0323 124.2053 60.9948 34.6231 173.6613 9 E 5.0534 9.1874 130.0710 55.3580 30.9444 174.3253 10 Y 5.0736 8.3956 123.2324 56.1776 42.0473 173.2119 11 A 4.9341 8.5188 122.5229 49.5570 20.4992 175.3062 12 P 4.5355 0.0000 0.0000 62.6057 32.2082 176.3270 13 V 3.7347 8.1970 120.0778 64.7137 31.6890 176.5588 14 G 3.9929 9.2673 114.5874 45.6336 0.0000 172.6859 15 T 4.6196 7.4873 111.9289 60.0588 70.4182 173.4817 16 A 4.3164 8.0617 126.9604 53.3032 19.4164 177.4841 17 E 4.5830 7.5587 116.3892 55.4745 30.4394 176.7870 18 T 4.5226 8.4109 114.6542 61.1679 70.6595 173.4351 19 K 4.6218 8.6606 121.5301 55.2154 36.9866 174.7838 20 V 4.7738 8.2848 119.6493 61.0500 33.5751 174.5889 21 G 4.4052 9.4028 115.5408 44.4706 0.0000 171.6000 22 R 5.2563 8.6332 123.7362 54.8213 31.9530 175.2483 23 I 4.3540 9.0326 127.0109 59.5027 39.9832 174.5076 24 V 4.6814 8.4194 127.6374 61.1385 33.8815 174.4650 25 F 5.3931 9.3666 125.4169 55.7858 42.9460 173.6391 26 N 5.1569 9.0006 119.8873 52.1741 40.0077 174.3861 27 L 4.5144 8.4586 122.9742 52.3476 44.6127 177.0038 28 F 5.1132 8.0882 120.9194 56.5714 38.0385 177.1780 29 D 4.4918 7.9653 122.6702 57.3916 41.5948 180.0273 30 K 4.0803 8.1656 117.6606 59.5074 32.4714 178.1558 31 D 4.5511 8.2865 117.4230 57.0433 41.4613 177.3692 32 V 4.5452 8.0054 111.8807 57.8445 32.4471 173.9870 33 P 4.4836 0.0000 0.0000 65.4023 31.5259 178.9273 34 K 3.9674 7.9694 117.9653 59.1533 31.9463 179.4584 35 T 3.7011 7.7861 115.3997 66.4701 68.4918 176.5687 36 A 3.8679 8.0598 122.7549 54.7996 18.3303 179.4841 37 K 3.8456 8.2390 118.3733 59.7748 32.2091 178.3083 38 N 4.3388 8.1756 117.2233 56.7538 38.7316 176.5264 39 F 4.2148 7.9477 121.5309 61.4418 39.4755 177.3285 40 R 3.9508 8.2834 117.7108 59.2753 29.7203 178.9320 41 E 3.9009 8.3718 118.4738 59.5120 29.4230 179.5297 42 L 3.6730 8.0092 119.0842 57.4682 41.2162 179.1387 43 C 4.1100 7.6811 118.3801 62.0740 31.5617 175.1475 44 K 4.1713 7.5851 118.1706 57.0929 32.1979 177.7355 45 R 4.0380 6.7546 117.8174 55.1736 30.7809 174.8022 46 P 4.2989 0.0000 0.0000 62.1609 31.9928 175.9482 47 A 4.5147 7.7763 122.5091 53.5631 18.5620 177.5836 48 G 4.0875 9.0826 109.9296 45.0503 0.0000 174.0644 49 E 4.5101 8.0377 116.9492 56.1081 31.8331 176.1404 50 G 4.0284 7.4582 108.0912 44.7968 0.0000 172.3889 51 Y 4.4592 8.1448 115.8792 59.6286 38.5028 175.9434 52 R 4.0114 7.7392 121.1050 57.6100 30.4323 176.6982 53 E 4.0110 9.4661 124.8097 56.1392 28.3302 174.6318 54 S 4.6916 7.9736 115.2185 57.9013 65.1601 172.8030 55 T 4.7181 8.1254 109.4002 59.7109 72.0979 173.1256 56 F 4.9657 8.4027 121.2085 57.2597 38.9700 175.6916 57 H 4.5507 8.9849 124.9636 58.1653 30.6733 175.8268 58 R 4.8889 7.7799 116.0390 54.3813 34.1802 174.6721 59 I 4.9277 8.8049 123.5241 59.7248 42.1319 174.1181 60 I 5.0226 8.6688 126.9221 58.5975 40.3010 173.5614 61 P 4.5044 0.0000 0.0000 64.3758 31.7108 175.9781 62 N 4.8586 8.9423 116.7334 53.0130 36.2126 174.2398 63 F 5.1973 7.8627 118.2437 59.0194 42.5889 173.9916 64 M 4.7072 8.1568 115.9512 54.1798 34.7855 172.8179 65 I 4.7342 7.8012 119.4683 59.4526 41.2082 174.4983 66 Q 4.3290 8.8658 127.6087 54.4205 31.7971 174.8611 67 G 4.3832 7.9736 113.9994 45.2975 0.0000 172.3979 68 G 4.2803 9.0715 108.7422 46.6096 0.0000 173.4288 69 D 4.7243 7.6426 121.9818 53.0889 38.5097 177.0229 *92 S 4.3915 8.3623 112.8691 58.3388 64.4017 174.9393 93 R 4.0213 8.0351 117.9773 59.1011 30.3457 178.6701 94 K 3.9737 7.9898 118.1508 59.7352 32.5601 177.8970 95 H 4.3258 8.2827 118.0265 59.3787 30.0410 176.6861 96 D 4.3966 8.3261 120.7628 57.5090 40.4746 179.0408 97 K 4.4240 7.9378 118.7467 58.2619 32.1196 178.8725 98 K 4.3954 7.5303 117.0553 55.6055 32.1805 177.2217 99 G 4.0796 7.4537 108.2105 45.5580 0.0000 173.1126 100 I 4.5437 8.7030 126.4792 59.0208 40.3525 174.5585 101 L 5.2401 8.5213 127.7564 53.6179 43.6789 175.5328 102 S 4.9462 9.3787 121.9061 56.9352 67.1439 172.5715 103 M 5.3801 8.7552 121.4041 54.2967 33.9108 175.2125 104 A 4.5412 8.9902 123.8798 52.3856 23.6260 176.0552 *114 Q 3.9713 7.9957 117.2627 55.8458 30.2114 174.0692 115 F 5.6402 7.8883 120.3831 55.0763 41.3952 174.2979 116 F 4.8734 9.7441 118.1024 55.8288 42.9947 173.8864 117 I 5.0863 8.7109 123.6094 59.8370 39.0554 174.9876 118 T 4.7669 8.9164 117.6800 59.6620 71.4603 174.5758 119 T 4.8000 8.4127 111.9695 61.1524 69.7176 172.8374 120 A 4.7371 7.7800 123.0525 50.1645 22.0466 176.9305 121 V 3.9601 8.5678 120.2329 63.7655 31.8245 176.0732 122 T 4.6393 8.8062 115.0614 61.2400 70.2961 175.9341 123 S 4.1251 8.6048 118.6880 61.2132 62.9373 175.7508 124 W 4.3336 8.3253 116.2090 58.6760 27.8930 176.4014 125 L 3.8559 6.5368 119.9996 53.2161 39.3702 175.3857 126 D 4.6833 8.2470 119.4300 52.3807 39.7965 178.3235 127 G 3.8753 8.1526 106.2287 46.4142 0.0000 174.5374 128 K 4.4366 8.3249 117.7640 56.2983 32.5116 176.5264 129 H 4.3789 8.0584 116.3210 55.5588 29.3104 174.9694 130 V 4.2617 8.1348 121.4009 60.9778 32.2146 175.4798 131 V 3.9383 8.4219 128.2734 62.6923 32.1382 175.4059 132 F 4.9960 7.9995 119.0833 55.7719 39.2180 174.1132 133 G 2.8398 6.8061 108.3599 45.4743 0.0000 172.0185 134 E 4.7175 7.8726 115.5097 54.5392 33.1965 175.0305 135 V 3.8914 8.5352 121.7341 63.6010 31.4422 175.8536 136 A 4.4005 9.0746 130.7586 54.4019 19.2565 176.6915 137 D 4.6852 7.7417 112.9616 50.7800 42.8257 175.8182 138 E 3.9618 8.7718 119.4688 59.2404 29.5145 178.5374 139 K 3.9664 8.0765 119.2798 59.5818 32.2668 178.7898 140 S 4.2559 9.4550 116.6064 61.7373 62.6959 175.9822 141 Y 3.9283 8.1752 122.1650 60.8369 38.4483 178.2345 142 S 4.1593 8.4385 116.1810 61.6628 62.8704 177.0070 143 V 3.5991 7.8467 120.7394 65.9846 31.2914 178.0309 144 V 3.4486 7.8167 118.1623 66.1057 31.2650 178.1433 145 K 4.0024 7.9028 117.9804 59.3841 31.6249 179.1282 146 E 3.9719 8.0855 117.9675 59.6018 29.7488 179.2770 147 I 3.5228 7.6985 119.8006 64.2505 37.0919 178.2090 148 E 3.8962 8.4796 119.6557 59.4255 29.0650 179.2099 149 A 4.1939 7.7525 119.4131 54.4588 18.7223 178.3171 150 L 4.1699 8.0123 116.8299 56.0548 42.4266 177.3092 151 G 4.1967 7.8141 108.3217 44.5606 0.0000 172.3889 152 S 4.6375 8.0728 112.6975 57.0576 66.0353 175.0913 153 S 4.2188 8.7343 116.3421 61.4957 62.5722 176.7704 154 S 4.2491 7.5245 113.1782 59.0948 63.3864 175.2826 155 G 3.8779 8.2611 110.5608 44.9456 0.0000 173.4638 156 S 4.3022 7.7860 115.4815 58.0721 62.9145 173.0941 157 V 3.9131 8.1472 127.3464 62.4356 31.9253 175.9872 158 R 4.1384 9.0307 127.3926 58.5775 30.4598 177.5205 159 S 4.2788 7.9088 110.8042 58.4453 62.9585 173.7750 160 N 4.3869 8.7050 123.0543 56.4146 38.5482 175.7326 161 T 4.1482 7.6778 115.6365 62.2979 67.9391 174.2322 162 R 4.0381 8.3610 127.8389 55.0944 30.8922 174.4161 163 P 4.5647 0.0000 0.0000 63.0988 32.5977 174.9563 164 K 4.7244 8.6181 124.9189 54.3835 35.5780 175.0619 165 I 4.3018 8.4018 128.7412 61.2325 37.0927 176.8116 166 V 4.0107 8.6794 121.6718 62.6828 32.4985 176.1564 167 N 4.9396 7.9061 117.2851 53.0217 42.1471 172.7826 168 C 5.1462 7.5979 122.4279 57.5243 35.1230 173.9004 169 G 3.7363 6.3582 110.0045 45.9636 0.0000 171.2632 170 E 5.2415 8.7856 117.9788 54.5583 32.1627 176.1940 171 L 4.4707 8.7429 121.3602 55.0380 42.0858 176.4601 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 0 S 8.33 4.50 0.00 4.03 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 1 M 7.99 4.26 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 2 S 8.62 4.56 0.00 4.05 3.91 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 3 Q 8.38 4.55 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 4 V 8.69 5.12 2.34 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 1.17 0.00 0.00 1.09 0.00 0.00 5 F 9.09 5.58 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 9.51 5.76 0.00 3.14 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 7 D 9.71 5.50 0.00 2.73 2.69 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 0.00 0.00 0.00 0.00 8 V 9.03 4.76 2.28 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 0.92 0.00 0.00 1.13 0.00 0.00 9 E 9.19 5.05 0.00 2.04 1.78 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 2.22 2.19 0.00 10 Y 8.40 5.07 0.00 3.07 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 11 A 8.52 4.93 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 12 P 0.00 4.54 0.00 2.23 2.11 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 13 V 8.20 3.73 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 0.79 0.00 0.00 0.98 0.00 0.00 14 G 9.27 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 15 T 7.49 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 1.34 0.00 0.00 16 A 8.06 4.32 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 17 E 7.56 4.58 0.00 1.77 1.85 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 2.28 2.27 0.00 18 T 8.41 4.52 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 1.18 0.00 0.00 19 K 8.66 4.62 0.00 1.59 1.72 0.00 1.08 0.00 0.00 1.36 0.00 0.00 2.65 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.83 0.53 7.81 20 V 8.28 4.77 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 0.91 0.00 0.00 0.90 0.00 0.00 21 G 9.40 4.41 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 0.00 22 R 8.63 5.26 0.00 1.94 1.83 0.00 3.03 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.95 0.00 23 I 9.03 4.35 1.75 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.76 0.15 0.00 0.00 24 V 8.42 4.68 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.92 0.00 0.00 25 F 9.37 5.39 0.00 2.80 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 26 N 9.00 5.16 0.00 2.63 2.77 0.00 0.00 6.88 7.04 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 27 L 8.46 4.51 0.00 1.70 1.56 1.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.09 5.11 0.00 3.07 3.06 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 29 D 7.97 4.49 0.00 2.85 2.78 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 30 K 8.17 4.08 0.00 1.80 1.90 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 31 D 8.29 4.55 0.00 2.94 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 32 V 8.01 4.55 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 0.86 0.00 0.00 1.19 0.00 0.00 33 P 0.00 4.48 0.00 2.27 2.42 0.00 3.89 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 34 K 7.97 3.97 0.00 1.81 1.87 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.53 7.81 35 T 7.79 3.70 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 0.84 0.00 0.00 36 A 8.06 3.87 1.51 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 0.00 0.00 37 K 8.24 3.85 0.00 1.91 2.01 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 38 N 8.18 4.34 0.00 2.86 2.89 0.00 0.00 6.92 7.33 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 39 F 7.95 4.21 0.00 2.77 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 R 8.28 3.95 0.00 2.10 2.09 0.00 3.24 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.04 0.00 41 E 8.37 3.90 0.00 2.09 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 2.30 2.53 0.00 42 L 8.01 3.67 0.00 1.20 0.36 0.77 0.68 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 43 C 7.68 4.11 0.00 2.89 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 44 K 7.59 4.17 0.00 1.69 1.81 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.66 7.81 45 R 6.75 4.04 0.00 1.61 1.78 0.00 3.18 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 46 P 0.00 4.30 0.00 2.14 1.95 0.00 3.74 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 2.08 2.06 0.00 47 A 7.78 4.51 1.22 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 48 G 9.08 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 49 E 8.04 4.51 0.00 2.01 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 2.20 2.17 0.00 50 G 7.46 4.03 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 0.00 0.00 0.00 51 Y 8.14 4.46 0.00 2.89 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 52 R 7.74 4.01 0.00 1.81 1.77 0.00 3.22 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 53 E 9.47 4.01 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 54 S 7.97 4.69 0.00 3.90 4.03 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 55 T 8.13 4.72 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 1.15 0.00 0.00 56 F 8.40 4.97 0.00 2.89 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 57 H 8.98 4.55 0.00 3.18 3.42 0.00 5.69 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 58 R 7.78 4.89 0.00 1.54 1.54 0.00 3.13 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 59 I 8.80 4.93 1.83 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 1.13 0.60 1.01 0.00 0.00 60 I 8.67 5.02 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.95 1.17 0.00 0.00 61 P 0.00 4.50 0.00 2.21 2.00 0.00 3.80 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 2.14 2.27 0.00 62 N 8.94 4.86 0.00 2.89 2.93 0.00 0.00 6.96 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 63 F 7.86 5.20 0.00 2.69 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 64 M 8.16 4.71 0.00 1.47 1.45 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.57 0.00 65 I 7.80 4.73 1.45 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 -0.23 0.00 0.00 66 Q 8.87 4.33 0.00 1.63 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.48 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 67 G 7.97 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.07 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 0.00 0.00 0.00 0.00 69 D 7.64 4.72 0.00 2.67 1.72 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 *92 S 8.36 4.39 0.00 3.93 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 93 R 8.04 4.02 0.00 1.94 2.01 0.00 3.21 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 94 K 7.99 3.97 0.00 1.78 1.88 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.52 7.81 95 H 8.28 4.33 0.00 3.24 3.44 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.33 4.40 0.00 2.96 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 97 K 7.94 4.42 0.00 1.92 1.90 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.51 7.81 98 K 7.53 4.40 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.67 7.81 99 G 7.45 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 0.00 0.00 0.00 100 I 8.70 4.54 1.88 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 1.26 1.07 0.93 0.00 0.00 101 L 8.52 5.24 0.00 1.61 1.55 0.90 0.76 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 0.00 102 S 9.38 4.95 0.00 3.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 M 8.76 5.38 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 104 A 8.99 4.54 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 *114 Q 8.00 3.97 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 115 F 7.89 5.64 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 9.74 4.87 0.00 2.95 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 0.00 117 I 8.71 5.09 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.95 0.00 0.00 118 T 8.92 4.77 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 1.17 0.00 0.00 119 T 8.41 4.80 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 120 A 7.78 4.74 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 0.00 121 V 8.57 3.96 2.25 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 1.06 0.00 0.00 1.10 0.00 0.00 122 T 8.81 4.64 4.16 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 1.33 0.00 0.00 123 S 8.60 4.13 0.00 3.99 4.03 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 0.00 124 W 8.33 4.33 0.00 3.60 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 0.00 125 L 6.54 3.86 0.00 1.20 1.21 0.70 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.25 4.68 0.00 2.73 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 0.00 127 G 8.15 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 0.00 128 K 8.32 4.44 0.00 2.07 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.59 7.81 129 H 8.06 4.38 0.00 3.16 3.31 0.00 5.68 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 0.00 130 V 8.13 4.26 2.17 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 0.88 0.00 0.00 0.97 0.00 0.00 131 V 8.42 3.94 2.17 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 1.03 0.00 0.00 0.97 0.00 0.00 132 F 8.00 5.00 0.00 3.09 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 0.00 133 G 6.81 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 7.87 4.72 0.00 2.07 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 0.00 2.22 2.32 0.00 135 V 8.54 3.89 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 0.77 0.00 0.00 0.95 0.00 0.00 136 A 9.07 4.40 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 0.00 137 D 7.74 4.69 0.00 2.77 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 0.00 138 E 8.77 3.96 0.00 2.08 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 2.38 2.46 0.00 139 K 8.08 3.97 0.00 1.87 1.91 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.55 7.81 140 S 9.45 4.26 0.00 3.97 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.18 3.93 0.00 3.18 3.12 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 0.00 0.00 0.00 142 S 8.44 4.16 0.00 4.11 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.85 3.60 2.25 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 1.12 0.00 0.00 1.08 0.00 0.00 144 V 7.82 3.45 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 0.82 0.00 0.00 0.87 0.00 0.00 145 K 7.90 4.00 0.00 1.87 1.78 0.00 1.71 0.00 0.00 1.33 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.12 1.51 7.81 146 E 8.09 3.97 0.00 2.23 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 2.43 2.53 0.00 147 I 7.70 3.52 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.12 0.90 0.00 0.00 148 E 8.48 3.90 0.00 2.08 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 0.00 2.40 2.36 0.00 149 A 7.75 4.19 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.01 4.17 0.00 1.83 1.74 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.81 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 0.00 152 S 8.07 4.64 0.00 3.98 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 0.00 153 S 8.73 4.22 0.00 3.94 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 0.00 154 S 7.52 4.25 0.00 3.82 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.26 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 0.00 156 S 7.79 4.30 0.00 3.88 3.74 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 0.00 157 V 8.15 3.91 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 0.90 0.00 0.00 0.97 0.00 0.00 158 R 9.03 4.14 0.00 1.94 1.98 0.00 3.24 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 159 S 7.91 4.28 0.00 3.86 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 0.00 160 N 8.70 4.39 0.00 2.74 2.86 0.00 0.00 7.00 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 0.00 161 T 7.68 4.15 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 1.22 0.00 0.00 162 R 8.36 4.04 0.00 1.77 1.83 0.00 3.25 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 163 P 0.00 4.56 0.00 2.01 1.94 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 164 K 8.62 4.72 0.00 1.71 1.52 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.21 1.43 7.81 165 I 8.40 4.30 1.74 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.03 0.69 0.00 0.00 166 V 8.68 4.01 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 0.58 0.00 0.00 1.03 0.00 0.00 167 N 7.91 4.94 0.00 2.92 2.86 0.00 0.00 6.61 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 0.00 168 C 7.60 5.15 0.00 2.95 2.69 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 0.00 0.00 0.00 0.00 169 G 6.36 3.74 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 0.00 0.00 0.00 170 E 8.79 5.24 0.00 2.00 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 2.27 2.31 0.00 171 L 8.74 4.47 0.00 1.72 1.60 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.