NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2578 8.3401 119.1172 54.6007 29.8815 174.4944 4 A 4.2113 8.2630 122.9332 50.5908 19.3796 175.8230 5 Y 4.0253 8.7355 122.9694 57.7409 40.5633 173.8135 6 D 4.5593 7.4668 125.8679 52.4769 40.9033 176.5310 7 N 4.5948 8.7496 127.0087 55.9259 38.7329 176.4715 8 N 4.7677 8.2230 114.6526 51.8790 38.2792 181.2412 9 N 4.5147 7.8277 117.6736 53.7785 39.2405 176.0940 10 I 3.7432 8.1342 116.2464 64.2590 37.5964 178.5381 11 F 4.4525 8.0721 119.0207 60.2921 38.8598 177.2317 12 A 4.0829 8.6130 120.5804 55.2247 18.0723 179.8742 13 K 4.0599 8.1893 116.9435 59.3295 32.0556 179.2186 14 L 3.8323 8.0528 120.6515 58.3031 41.7697 178.9876 15 I 3.6553 7.5120 118.1275 64.4939 37.1689 177.8895 16 R 4.2218 7.7181 115.0362 55.8578 29.9345 176.2214 17 N 4.2865 7.9744 115.1576 54.5900 36.2501 175.0724 18 E 4.4071 8.4030 119.1460 56.7688 30.4546 176.4339 19 I 4.6850 7.2655 110.6156 57.9398 40.7133 173.1610 20 P 4.5652 0.0000 0.0000 62.6799 32.2233 175.0091 21 S 4.5945 8.0346 112.5634 57.2034 66.6391 173.9337 22 V 4.2533 8.4346 120.5457 61.4549 32.0531 173.8274 23 R 4.8545 8.4148 125.8102 55.5589 30.6550 176.7171 24 V 4.3366 8.8801 116.2417 62.6252 33.6232 175.5134 25 Y 4.8889 7.7681 119.0537 56.8443 42.0991 172.8983 26 E 4.8866 7.3148 123.7972 55.4550 32.5990 173.9770 27 D 4.7251 8.0699 124.7055 52.0685 42.1319 175.4506 28 D 4.2378 8.8183 117.1676 57.1233 41.0372 176.7591 29 D 4.9161 8.8771 117.6940 54.1920 43.3822 175.7786 30 V 5.0985 7.4839 110.9161 59.8960 36.8725 174.0701 31 I 5.0851 8.8426 121.8108 59.5950 41.2267 174.3614 32 A 5.3845 9.2736 128.5889 50.2227 21.7500 175.2028 33 F 5.2970 8.4248 115.8373 55.6028 41.9001 173.5240 34 M 4.4726 8.8748 120.9069 55.1832 32.4392 175.9847 35 D 4.5875 8.3851 124.4801 54.2767 41.6728 176.3772 36 I 4.0776 8.7635 118.5200 62.5350 38.7668 175.0461 37 M 5.0844 8.4830 120.1283 51.9203 31.8812 173.3875 38 P 4.4157 0.0000 0.0000 62.6422 32.7287 177.7216 39 Q 4.2063 8.9476 118.2554 57.5378 29.5838 175.7274 40 A 4.5578 7.3509 119.0556 50.0756 21.9371 173.6756 41 P 4.3558 0.0000 0.0000 63.9365 31.7795 177.4243 42 G 3.1784 8.6399 111.0341 44.5065 0.0000 172.5827 43 H 4.2509 7.8168 120.5394 57.3157 30.8046 174.0537 44 T 4.9607 8.9550 122.1269 61.6960 72.2018 173.0312 45 L 4.9597 8.3964 124.4292 52.8382 44.7772 175.5421 46 V 4.8963 8.5835 122.6483 61.0170 34.2952 174.3197 47 I 5.2928 8.8111 121.2033 58.2329 40.8934 173.2848 48 P 4.9398 0.0000 0.0000 63.0567 31.5913 176.4736 49 K 4.2326 8.9544 121.3878 58.6649 32.8723 177.6729 50 K 4.1285 8.0549 121.6384 55.2300 32.7486 176.4371 51 G 3.4581 8.4565 116.2113 45.4094 0.0000 172.6742 52 S 4.4947 7.9170 116.9610 56.5416 66.0532 175.3025 53 R 4.8135 9.7964 121.5904 59.0996 30.3743 176.5109 54 N 4.6090 8.1976 113.2042 52.7882 40.1859 173.7396 55 L 4.1358 8.7335 118.1420 58.4822 42.5203 180.3472 56 L 4.0835 8.1331 118.2615 57.0861 41.5461 177.4852 57 D 4.7260 7.9155 114.3084 52.6963 40.1111 176.3498 58 A 4.1426 7.3963 122.1939 51.9013 19.0526 177.4424 59 D 4.4498 8.4329 120.7465 54.5726 41.8164 178.0526 60 T 3.6914 8.5333 120.1039 66.8113 68.2983 176.6890 61 E 3.4824 7.9272 119.8540 59.4814 29.3087 179.3721 62 T 3.8159 7.5033 115.8842 66.4779 68.3780 176.6155 63 L 3.9903 7.4577 120.2902 57.4406 41.4963 179.5843 64 F 4.5529 7.3232 118.4711 60.1758 39.1100 175.9208 65 P 4.3654 0.0000 0.0000 65.6387 30.9857 178.5853 66 V 3.5065 7.5437 118.3849 66.0496 31.4685 177.9217 67 I 3.4169 7.9195 118.6006 63.5453 37.7131 177.5544 68 K 3.7931 8.1510 120.4861 59.6211 32.0200 178.6523 69 A 3.8689 7.8978 120.5475 54.8897 18.2413 179.6232 70 V 3.4219 7.9906 117.3288 66.1743 31.4822 178.1348 71 Q 3.8430 8.1394 119.2611 58.9657 28.9320 177.9505 72 K 3.7879 8.0407 120.7476 59.6533 32.1328 178.8713 73 I 3.6600 8.1686 120.2093 64.0024 36.9629 178.1490 74 A 3.9613 8.0973 121.8267 55.2178 18.2504 179.8860 75 K 3.8806 7.9810 116.6217 59.5219 32.1458 179.5598 76 A 3.9685 7.9194 121.0563 55.0903 18.4247 179.8377 77 V 3.6981 8.1837 117.2453 66.0694 31.5281 178.1812 78 K 4.0702 8.2273 121.8738 59.9558 32.0898 179.6832 79 K 3.9711 8.1028 123.6788 59.8858 31.5515 180.9472 80 A 4.2003 8.4166 121.3384 53.9415 18.2521 178.1842 81 F 4.4714 7.8912 112.7810 56.4119 40.0336 175.4827 82 Q 3.3023 7.8741 118.6150 56.7464 26.6724 174.3988 83 A 4.2898 8.1032 119.5004 52.1536 19.4827 178.2831 84 D 4.5578 8.7529 121.6282 57.1355 41.7920 176.3489 85 G 4.2870 8.3280 103.9937 45.0569 0.0000 171.8652 86 I 5.0594 8.1193 119.5373 59.7508 40.4917 175.2503 87 T 4.5066 9.1120 124.4984 61.9440 70.4206 173.7008 88 V 4.8569 8.3831 126.3634 61.5328 33.3806 174.6418 89 M 4.7977 8.7645 126.3068 53.6282 36.4835 174.2955 90 Q 4.0008 7.9302 121.7345 54.5128 32.0269 173.7035 91 F 5.0933 8.1464 124.4607 54.9491 40.9476 174.7102 92 N 4.9164 8.8986 122.7801 53.1895 39.9114 175.1434 93 E 4.4146 9.5350 118.5844 55.9550 29.6443 175.8366 94 A 4.0108 8.9725 122.2943 55.6909 18.2849 180.1886 95 A 4.0449 8.0091 116.2267 54.6728 18.5579 177.8894 96 S 4.4136 8.0853 110.0473 57.6548 62.2204 174.2012 97 Q 3.6790 8.1756 115.6902 56.4877 26.4361 173.4937 98 Q 4.1410 7.4479 119.5751 56.5426 29.3659 175.8478 99 T 4.2120 8.4477 114.6114 61.6144 70.5219 174.7656 100 V 4.0328 7.2008 120.8056 60.9894 34.2759 175.1572 101 Y 4.4377 8.1542 127.2558 58.1180 37.5669 174.5513 102 H 5.5177 7.6500 117.7510 53.6989 33.4674 172.0364 103 L 4.2169 8.3120 128.4073 56.2229 42.2298 175.9976 104 H 5.3629 8.6295 120.8081 54.1953 31.8854 172.4667 105 F 4.6620 9.2615 120.2854 56.3787 41.1741 174.6416 106 H 4.8716 9.0499 121.4624 55.3178 30.3437 174.3924 107 I 4.6228 9.1587 124.3949 59.7615 39.7333 174.6223 108 I 4.6692 8.5358 129.5000 58.3306 39.6034 173.8110 109 P 4.8121 0.0000 0.0000 62.8707 32.1557 175.9283 110 R 4.7902 9.2919 121.3062 54.7089 33.8018 174.6033 111 M 5.1920 8.4382 122.7393 53.6655 35.9826 175.7709 112 E 4.0395 9.6061 119.0451 57.7205 30.1450 176.7644 113 G 3.8934 8.9517 111.0300 45.1056 0.0000 173.0779 114 I 4.4118 7.6259 122.9304 59.8016 39.2452 176.3128 115 E 4.4503 8.4018 131.5135 56.1030 28.2743 177.3219 *120 N 4.6139 8.8863 119.8842 54.4701 38.7805 174.5931 121 N 4.9917 8.5046 109.1952 53.5264 38.7378 171.7469 122 I 4.1745 7.5480 121.2189 61.1207 37.2989 174.9276 123 I 4.2438 8.1545 126.7557 61.0721 38.7074 175.1994 124 T 4.3724 8.8303 126.8655 62.1443 69.4791 173.0919 125 P 4.2758 0.0000 0.0000 63.4221 32.2694 177.4089 126 T 3.9428 9.0267 122.7255 67.6307 68.4414 177.0789 127 E 4.0265 8.2951 119.4957 61.4568 29.7110 181.0801 128 I 3.9931 7.7328 120.0865 64.2143 37.1350 178.4611 129 L 4.0769 7.9822 119.3902 57.8385 41.3732 179.3231 130 E 3.9861 8.2584 118.5096 59.4570 29.1648 178.9113 131 E 3.9338 8.0535 118.8470 59.4865 29.6264 178.7013 132 N 4.6169 8.3264 116.1095 56.1145 38.6585 177.2285 133 A 4.1482 8.6253 125.2176 55.7565 18.4349 180.3717 134 K 3.9480 8.3251 122.3062 59.8919 31.5181 181.1507 135 K 4.0447 7.4144 117.3899 59.4056 32.3651 179.2340 136 I 3.9254 7.6512 119.4465 64.5371 36.7608 178.7048 137 R 3.9857 8.6558 119.0161 59.2871 29.6583 178.9550 138 A 3.8562 8.1418 119.4005 54.3950 18.5154 178.7650 139 A 4.2243 7.5420 117.0637 53.3272 18.9818 177.3949 140 L 4.0755 7.2935 121.8036 54.9329 41.6821 176.8659 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 3 Q 8.34 4.26 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 4 A 8.26 4.21 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 5 Y 8.74 4.03 0.00 2.94 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 6 D 7.47 4.56 0.00 2.62 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 0.00 0.00 0.00 7 N 8.75 4.59 0.00 2.81 2.95 0.00 0.00 6.99 8.00 0.00 0.00 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 N 8.22 4.77 0.00 2.74 2.70 0.00 0.00 6.99 7.61 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 9 N 7.83 4.51 0.00 2.89 2.90 0.00 0.00 6.70 8.01 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 10 I 8.13 3.74 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.42 0.87 0.00 0.00 11 F 8.07 4.45 0.00 3.13 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 12 A 8.61 4.08 1.54 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 0.00 0.00 13 K 8.19 4.06 0.00 2.01 1.87 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.70 7.81 14 L 8.05 3.83 0.00 1.75 1.76 -0.26 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.51 3.66 2.03 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 1.49 0.68 0.91 0.00 0.00 16 R 7.72 4.22 0.00 1.80 1.96 0.00 3.29 0.00 0.00 3.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 17 N 7.97 4.29 0.00 2.87 2.93 0.00 0.00 6.86 7.24 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 18 E 8.40 4.41 0.00 2.04 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 2.28 2.39 0.00 19 I 7.27 4.69 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.62 0.90 0.00 0.00 20 P 0.00 4.57 0.00 2.19 2.08 0.00 3.72 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 1.98 1.94 0.00 21 S 8.03 4.59 0.00 3.67 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 4.25 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 1.20 0.00 0.00 0.98 0.00 0.00 23 R 8.41 4.85 0.00 1.76 1.88 0.00 3.21 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 24 V 8.88 4.34 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 0.76 0.00 0.00 1.05 0.00 0.00 25 Y 7.77 4.89 0.00 3.03 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 26 E 7.31 4.89 0.00 1.85 1.56 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 2.06 2.35 0.00 27 D 8.07 4.73 0.00 2.86 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 28 D 8.82 4.24 0.00 2.68 2.77 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 0.00 0.00 0.00 29 D 8.88 4.92 0.00 2.76 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 30 V 7.48 5.10 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 0.89 0.00 0.00 1.09 0.00 0.00 31 I 8.84 5.09 1.94 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 1.13 0.79 0.96 0.00 0.00 32 A 9.27 5.38 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 33 F 8.42 5.30 0.00 3.22 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 34 M 8.87 4.47 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.88 0.00 35 D 8.39 4.59 0.00 2.46 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 0.00 0.00 0.00 0.00 36 I 8.76 4.08 1.92 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 1.51 0.86 0.99 0.00 0.00 37 M 8.48 5.08 0.00 2.10 2.03 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 2.54 2.49 0.00 38 P 0.00 4.42 0.00 2.39 2.02 0.00 3.77 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 1.99 1.98 0.00 39 Q 8.95 4.21 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 40 A 7.35 4.56 1.14 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 41 P 0.00 4.36 0.00 2.01 2.04 0.00 3.60 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 2.05 2.08 0.00 42 G 8.64 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 0.00 0.00 0.00 43 H 7.82 4.25 0.00 3.34 3.14 0.00 5.54 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.96 4.96 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 45 L 8.40 4.96 0.00 0.27 0.94 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.58 4.90 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 1.09 0.00 0.00 0.90 0.00 0.00 47 I 8.81 5.29 2.10 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.90 1.02 0.00 0.00 48 P 0.00 4.94 0.00 2.30 2.14 0.00 4.13 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 49 K 8.95 4.23 0.00 1.66 1.92 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.39 7.81 50 K 8.05 4.13 0.00 1.70 1.69 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 51 G 8.46 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.92 4.49 0.00 4.24 3.83 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 53 R 9.80 4.81 0.00 2.15 2.25 0.00 3.33 0.00 0.00 3.21 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 54 N 8.20 4.61 0.00 2.95 2.99 0.00 0.00 6.98 8.63 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 55 L 8.73 4.14 0.00 1.79 1.79 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.13 4.08 0.00 1.83 1.74 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.92 4.73 0.00 2.78 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 58 A 7.40 4.14 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 59 D 8.43 4.45 0.00 2.64 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 3.69 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 1.12 0.00 0.00 61 E 7.93 3.48 0.00 1.89 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 2.38 2.36 0.00 62 T 7.50 3.82 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 1.19 0.00 0.00 63 L 7.46 3.99 0.00 1.54 1.70 0.91 1.32 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 64 F 7.32 4.55 0.00 3.03 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 65 P 0.00 4.37 0.00 2.30 2.37 0.00 4.01 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 2.27 2.06 0.00 66 V 7.54 3.51 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 0.86 0.00 0.00 1.02 0.00 0.00 67 I 7.92 3.42 1.86 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.19 1.02 0.00 0.00 68 K 8.15 3.79 0.00 1.88 2.04 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 69 A 7.90 3.87 1.50 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 70 V 7.99 3.42 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 0.91 0.00 0.00 0.39 0.00 0.00 71 Q 8.14 3.84 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 72 K 8.04 3.79 0.00 1.80 1.64 0.00 1.33 0.00 0.00 0.66 0.00 0.00 2.64 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.15 1.30 7.81 73 I 8.17 3.66 1.86 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 1.55 0.75 0.88 0.00 0.00 74 A 8.10 3.96 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.98 3.88 0.00 1.93 1.84 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 76 A 7.92 3.97 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.18 3.70 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 0.99 0.00 0.00 1.04 0.00 0.00 78 K 8.23 4.07 0.00 1.99 1.80 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 79 K 8.10 3.97 0.00 1.83 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 80 A 8.42 4.20 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 81 F 7.89 4.47 0.00 3.19 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 82 Q 7.87 3.30 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 83 A 8.10 4.29 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 84 D 8.75 4.56 0.00 2.70 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 85 G 8.33 4.29 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 0.00 86 I 8.12 5.06 1.86 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 1.34 1.08 0.89 0.00 0.00 87 T 9.11 4.51 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 1.20 0.00 0.00 88 V 8.38 4.86 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 0.96 0.00 0.00 0.93 0.00 0.00 89 M 8.76 4.80 0.00 1.39 1.45 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 90 Q 7.93 4.00 0.00 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 91 F 8.15 5.09 0.00 3.00 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 92 N 8.90 4.92 0.00 2.71 2.78 0.00 0.00 7.29 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 93 E 9.54 4.41 0.00 2.21 2.21 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 2.26 2.42 0.00 94 A 8.97 4.01 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 95 A 8.01 4.04 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 96 S 8.09 4.41 0.00 3.91 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 97 Q 8.18 3.68 0.00 1.53 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 98 Q 7.45 4.14 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 1.95 2.25 0.00 99 T 8.45 4.21 4.17 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 1.17 0.00 0.00 100 V 7.20 4.03 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 0.02 0.00 0.00 0.41 0.00 0.00 101 Y 8.15 4.44 0.00 3.04 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 0.00 102 H 7.65 5.52 0.00 3.41 3.47 0.00 5.94 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 0.00 103 L 8.31 4.22 0.00 1.73 1.63 0.86 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.63 5.36 0.00 3.16 3.40 0.00 5.56 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 9.26 4.66 0.00 2.85 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 0.00 106 H 9.05 4.87 0.00 2.91 3.16 0.00 5.56 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 9.16 4.62 1.84 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 1.19 0.60 0.88 0.00 0.00 108 I 8.54 4.67 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.48 0.78 0.00 0.00 109 P 0.00 4.81 0.00 1.99 1.97 0.00 3.55 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 110 R 9.29 4.79 0.00 1.66 1.82 0.00 3.19 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 111 M 8.44 5.19 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 112 E 9.61 4.04 0.00 1.93 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 2.27 2.15 0.00 113 G 8.95 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 0.00 114 I 7.63 4.41 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.98 0.91 0.00 0.00 115 E 8.40 4.45 0.00 1.99 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 2.23 1.87 0.00 *120 N 8.89 4.61 0.00 2.76 2.71 0.00 0.00 6.22 7.99 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 0.00 121 N 8.50 4.99 0.00 2.70 2.66 0.00 0.00 6.61 7.72 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 0.00 122 I 7.55 4.17 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 0.92 0.00 0.00 123 I 8.15 4.24 1.89 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 1.37 0.92 0.93 0.00 0.00 124 T 8.83 4.37 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 1.24 0.00 0.00 125 P 0.00 4.28 0.00 2.09 2.00 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 126 T 9.03 3.94 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 1.23 0.00 0.00 127 E 8.30 4.03 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.99 0.00 128 I 7.73 3.99 2.02 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 1.55 0.95 0.96 0.00 0.00 129 L 7.98 4.08 0.00 1.89 1.78 1.01 1.06 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 0.00 130 E 8.26 3.99 0.00 2.24 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 2.49 2.48 0.00 131 E 8.05 3.93 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 132 N 8.33 4.62 0.00 3.12 3.19 0.00 0.00 6.88 7.53 0.00 0.00 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 A 8.63 4.15 1.42 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 0.00 0.00 134 K 8.33 3.95 0.00 1.77 1.84 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 135 K 7.41 4.04 0.00 1.79 1.60 0.00 1.44 0.00 0.00 0.81 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.46 7.81 136 I 7.65 3.93 2.11 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 1.74 1.35 0.97 0.00 0.00 137 R 8.66 3.99 0.00 1.99 2.01 0.00 3.15 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 138 A 8.14 3.86 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 0.00 139 A 7.54 4.22 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 0.00 140 L 7.29 4.08 0.00 1.83 1.57 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.