NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2797 8.1593 117.3739 63.5415 69.7487 173.5768 2 S 4.3917 8.3902 121.2099 55.9921 64.9718 173.2576 3 K 4.0028 9.4364 122.3039 59.8069 32.8106 179.6680 4 K 3.8462 8.1676 118.1310 59.7553 31.7674 178.8999 5 K 4.0642 7.6694 117.6892 58.6516 32.1465 177.9643 6 R 4.3909 7.8671 116.5654 56.5609 30.6847 177.7234 7 Q 4.0624 8.0012 119.5851 57.0684 28.6498 176.3672 8 R 4.0953 7.4454 119.5137 57.6436 30.3793 176.8278 9 G 3.9698 9.1500 111.4107 45.3126 0.0000 173.6926 10 S 4.3213 7.7316 113.0532 57.5719 63.5882 174.0443 11 R 4.1060 7.8193 124.4049 57.6212 29.2899 176.5384 12 T 4.2594 7.6100 104.9661 61.5510 69.6175 174.2323 13 H 4.4926 8.4302 117.5738 56.0143 26.9350 175.5134 14 G 3.8958 8.4973 103.5137 46.1230 0.0000 175.0643 15 G 3.8766 8.2165 107.5153 45.1181 0.0000 175.8376 16 G 3.9814 7.8273 106.3047 44.4332 0.0000 174.8465 17 S 4.1269 8.6752 118.7126 58.4500 62.5321 174.5952 18 H 4.3047 8.9615 122.6719 57.3791 28.1620 175.9251 19 K 4.0016 7.4397 118.9093 57.7666 32.0725 177.7534 20 N 4.3306 8.1189 117.4045 56.0030 38.9252 177.1226 21 R 4.3628 7.4834 120.5506 56.5791 28.9715 177.3585 22 R 4.4563 7.7030 121.8770 56.1505 31.0414 179.6354 23 G 4.2699 8.6163 122.5423 44.7885 0.0000 173.0065 24 A 4.1119 8.7884 120.0874 55.0743 18.0624 180.2080 25 G 3.5742 8.0836 104.0281 48.0712 0.0000 174.9698 26 H 4.4667 8.3959 118.8859 57.8409 29.9709 176.2955 27 R 4.4973 7.7882 117.1338 55.4031 30.9702 176.2644 28 G 3.8014 7.7676 106.9686 46.6335 0.0000 173.7052 29 G 4.0743 8.1172 105.9891 43.6826 0.0000 174.5472 30 R 4.0172 8.6659 120.3413 57.0201 31.7135 176.0848 31 G 3.8078 8.1931 113.6825 47.5321 0.0000 173.3596 32 D 4.7425 8.6477 123.3324 53.7852 40.6837 175.4795 33 A 4.1274 7.4593 122.7176 53.9958 18.7404 178.9441 34 G 3.7822 9.0031 110.2439 45.6791 0.0000 175.3514 35 R 3.6883 7.8121 117.5540 57.6701 29.2679 177.4461 36 D 4.9557 7.9372 115.7329 52.8079 42.3138 176.4392 37 K 4.3289 8.3704 117.6609 56.6840 32.1126 178.4504 38 H 4.4368 9.8089 124.4802 58.5746 29.0372 176.2343 39 E 4.6611 7.5981 118.9920 55.5311 30.0687 177.1050 40 F 4.9675 7.7239 115.4364 59.3981 38.0301 175.5738 41 H 3.4865 6.5522 116.6825 57.2316 28.8132 174.3897 42 N 4.2493 8.9020 121.5263 54.8888 35.7480 174.1284 43 H 4.8549 8.0349 112.8577 53.5611 32.5180 173.9887 44 E 4.1155 8.8467 123.8372 55.5630 29.9489 175.2628 45 P 4.4317 0.0000 0.0000 62.5922 31.8600 176.1590 46 L 4.1180 8.0826 119.3537 55.1499 42.2194 175.9229 47 G 4.2348 8.2292 105.7520 43.6657 0.0000 173.7157 48 K 4.4203 8.1983 119.8998 55.1708 33.5638 177.0778 49 S 4.2883 8.2909 116.3786 58.0985 64.5795 174.7799 50 G 3.9907 9.5122 119.2795 45.1966 0.0000 171.0239 51 F 4.9950 8.2820 113.3399 55.6383 40.9614 173.2958 52 K 4.3252 8.3382 119.1538 54.4233 35.2634 176.2614 53 R 4.4753 8.1711 121.3087 54.0142 31.3913 174.7025 54 P 4.1779 0.0000 0.0000 63.5446 31.5672 176.7964 55 Q 3.8762 9.0138 121.9215 59.1189 28.7613 178.9336 56 K 4.5508 7.9302 113.9542 57.0940 32.5762 176.9816 57 V 4.3807 8.0416 116.1903 62.9639 32.2132 174.7337 58 Q 4.6442 7.7327 117.0051 54.1146 30.3957 174.7244 59 E 4.4861 8.5808 121.2170 54.4076 31.8338 174.9108 60 E 4.4345 8.3916 124.0544 54.2245 31.7030 174.2529 61 A 4.1035 8.1838 129.4976 51.0006 19.7874 176.3012 62 A 4.2794 8.8356 126.2165 51.6951 19.3619 176.5829 63 T 5.4830 8.2489 112.2839 60.2840 71.5364 173.9405 64 I 4.5334 7.8786 121.0078 60.1299 41.7073 172.8190 65 D 5.1946 8.6029 127.8719 53.1620 42.5821 177.6676 66 V 3.5765 8.6402 116.5844 65.0120 31.6615 178.7700 67 R 3.8542 7.8252 117.5731 59.6573 29.4814 178.1189 68 E 3.8816 8.2190 118.0145 59.7189 30.0287 178.1226 69 I 3.6665 7.8653 119.0886 64.8371 36.8975 177.2628 70 D 4.3382 8.4485 119.2511 57.8762 41.2333 178.5742 71 E 4.2225 8.1995 117.0297 57.9837 28.7126 176.8284 72 N 5.0714 8.1178 117.3216 52.9314 40.4350 177.5119 73 V 3.3973 7.9052 113.3938 64.6812 32.0040 178.9446 74 T 3.7593 7.6326 108.1248 64.7129 68.4969 175.5820 75 L 4.0512 7.0816 117.7909 56.4776 41.8482 177.5486 76 L 4.4341 7.4052 120.7256 53.4688 41.0299 177.9646 77 A 4.0441 7.9274 122.1712 55.2966 18.8635 178.1897 78 A 4.4796 7.7623 117.6887 52.1954 18.7841 176.9781 79 D 4.7405 8.0925 118.7883 55.6300 45.6421 175.4385 80 D 4.2876 7.6831 121.5022 49.7307 41.7095 175.7195 81 V 4.5819 8.3788 122.3578 61.3866 34.2465 174.9772 82 A 4.2522 7.9871 131.0074 51.9189 20.7428 176.5248 83 E 3.8016 8.9320 109.8773 59.2218 30.1710 173.5624 *89 F 4.5973 7.7408 114.5216 58.0340 41.0637 174.0139 90 R 5.1884 8.7026 120.7789 54.6798 32.5391 174.9820 91 V 4.5065 8.7588 125.8758 59.8851 35.0979 174.4505 92 D 4.8457 8.7604 124.3479 53.1355 41.2620 176.4595 93 V 3.6179 8.7013 128.2596 66.2821 31.6440 178.2019 94 R 3.5840 7.8503 117.3623 59.3355 29.8904 177.8286 95 D 4.5998 7.9793 116.2554 55.1006 41.1927 178.1458 96 V 3.9845 8.1058 119.3545 63.8413 32.3790 176.3154 97 V 3.5961 7.2914 116.9568 63.0722 31.5522 175.4626 98 E 4.1858 8.5864 126.1598 57.1864 30.3567 176.9507 99 E 4.1666 8.8421 117.8253 57.2550 26.8219 175.6249 100 A 4.3973 7.5236 119.2880 52.9614 18.3619 178.1309 101 D 4.7259 7.9359 117.9640 56.8447 42.2340 178.1812 102 D 4.6654 8.0633 113.7793 53.6639 39.3518 175.4171 103 A 4.5599 7.4761 123.6624 50.8024 20.4661 178.0778 104 D 4.3062 8.5484 120.7840 54.9763 41.7143 175.8355 105 Y 4.9604 6.3111 120.8261 57.5783 41.3881 171.6614 106 V 4.6841 8.5925 121.6260 61.6659 33.7133 174.5750 107 K 4.6882 9.1677 128.5480 54.6383 35.4781 174.7292 108 V 4.6000 8.3341 127.6743 61.7254 33.2948 174.6007 109 L 4.6483 9.4892 128.2575 52.3686 44.7594 176.7754 110 G 4.3041 8.2249 109.5806 45.3858 0.0000 173.4576 111 A 4.6240 7.7951 121.4334 51.6386 21.8032 177.4881 112 G 3.9438 8.9609 109.3022 44.3468 0.0000 171.7964 113 Q 4.5188 8.2365 118.6975 54.1798 31.3706 175.3958 114 V 4.3191 7.8829 117.3082 62.0323 32.4574 174.0428 115 R 4.5211 8.7871 125.2872 56.0000 30.0948 176.0864 116 H 5.1955 7.7066 113.6733 54.0784 33.2952 172.7179 117 E 4.8418 8.8374 118.8312 55.5487 30.3667 175.8873 118 L 5.1287 8.6326 123.9336 53.1039 46.0266 175.7643 119 T 4.9278 9.3775 120.4821 62.1699 70.1385 172.8327 120 L 5.2327 8.8506 127.5070 53.0845 44.2790 175.8580 121 I 5.4683 8.7457 123.5433 58.9976 39.8192 174.6401 122 A 4.9841 8.7647 127.5660 50.8868 22.3423 175.5707 123 D 4.4318 8.4582 117.1717 56.2869 42.0940 176.5276 124 D 4.5039 6.9836 115.1109 53.6253 44.3444 174.3374 125 F 5.4969 9.1816 121.1886 54.9107 43.6897 173.7891 126 S 4.7442 8.5777 114.1862 56.8767 65.8048 174.5407 127 E 4.0000 9.2486 119.8844 59.9460 29.1725 179.7405 128 G 3.9714 8.2331 104.3856 48.0881 0.0000 175.0063 129 A 4.0647 7.7330 122.0358 55.1830 18.4239 179.6090 130 R 3.7845 8.1397 116.4334 59.3214 30.1675 178.7635 131 E 3.8868 8.3206 117.7942 59.8721 29.7867 179.8071 132 K 3.8739 8.1677 117.8091 59.8557 32.2631 179.6730 133 V 3.7375 7.9378 118.0884 65.7455 31.3362 177.9920 134 E 4.7726 7.9365 120.1635 58.6338 29.3349 179.1178 135 G 3.9506 8.4677 104.1141 46.5026 0.0000 173.6780 136 A 4.5997 7.5330 122.7851 51.6094 19.8018 176.5791 137 G 4.2017 8.4562 104.7487 48.4029 0.0000 173.1329 138 G 4.9313 7.7828 104.4685 43.1008 0.0000 171.9167 139 S 5.0804 9.2115 113.3736 56.3637 66.9589 173.3759 140 V 4.4462 8.1770 120.4298 61.2582 33.7013 174.2232 141 E 4.5670 9.3354 128.5564 54.6463 31.4967 174.9770 142 L 4.9854 8.4023 126.8509 54.4109 43.3336 176.4417 143 T 4.1798 8.8824 123.0975 63.4367 69.6353 175.2850 144 D 4.4558 8.7825 122.2316 57.4761 41.1635 179.1177 145 L 3.9657 8.0143 120.1895 57.8406 42.4432 178.1074 146 G 3.8325 7.9976 107.3044 47.1439 0.0000 174.5332 147 E 4.4153 7.7898 120.3626 56.9380 29.2343 176.8381 148 E 4.8000 8.5025 113.9053 56.4164 30.3119 178.4641 149 R 4.5553 7.4789 116.4984 52.1334 30.7583 176.2912 150 Q 4.3084 7.8710 121.4248 56.8573 29.3202 173.0789 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 T 8.16 4.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 2 S 8.39 4.39 0.00 4.05 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 K 9.44 4.00 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.17 3.85 0.00 1.84 1.88 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.53 7.81 5 K 7.67 4.06 0.00 1.72 2.04 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.87 4.39 0.00 1.90 1.92 0.00 3.20 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 7 Q 8.00 4.06 0.00 2.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.99 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 8 R 7.45 4.10 0.00 1.79 1.88 0.00 3.37 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 9 G 9.15 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 0.00 0.00 0.00 10 S 7.73 4.32 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.82 4.11 0.00 1.97 2.06 0.00 3.21 0.00 0.00 3.27 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 12 T 7.61 4.26 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 13 H 8.43 4.49 0.00 3.28 3.39 0.00 5.69 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 14 G 8.50 3.90 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 0.00 0.00 0.00 15 G 8.22 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 16 G 7.83 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 0.00 0.00 0.00 17 S 8.68 4.13 0.00 3.87 3.75 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 18 H 8.96 4.30 0.00 3.30 3.42 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.44 4.00 0.00 1.66 1.82 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.32 7.81 20 N 8.12 4.33 0.00 2.63 2.58 0.00 0.00 6.98 8.02 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 21 R 7.48 4.36 0.00 1.77 1.89 0.00 3.16 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 22 R 7.70 4.46 0.00 1.73 0.98 0.00 3.28 0.00 0.00 3.19 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 23 G 8.62 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 24 A 8.79 4.11 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.08 3.57 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 0.00 0.00 0.00 26 H 8.40 4.47 0.00 3.14 3.51 0.00 5.92 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 R 7.79 4.50 0.00 2.04 1.93 0.00 3.32 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 28 G 7.77 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.12 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.67 4.02 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.19 3.81 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 0.00 0.00 0.00 32 D 8.65 4.74 0.00 2.74 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 33 A 7.46 4.13 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 34 G 9.00 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 35 R 7.81 3.69 0.00 1.80 2.10 0.00 2.76 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 36 D 7.94 4.96 0.00 2.75 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 37 K 8.37 4.33 0.00 1.83 1.43 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.52 7.81 38 H 9.81 4.44 0.00 3.31 3.46 0.00 5.48 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.60 4.66 0.00 1.84 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 2.18 2.04 0.00 40 F 7.72 4.97 0.00 3.04 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 41 H 6.55 3.49 0.00 2.92 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.90 4.25 0.00 2.84 2.87 0.00 0.00 6.88 8.16 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 43 H 8.03 4.85 0.00 3.28 3.21 0.00 5.91 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.85 4.12 0.00 1.97 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 2.33 2.31 0.00 45 P 0.00 4.43 0.00 2.18 2.08 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 46 L 8.08 4.12 0.00 1.65 1.65 0.91 0.94 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 47 G 8.23 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.20 4.42 0.00 1.77 1.76 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 49 S 8.29 4.29 0.00 3.78 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 50 G 9.51 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 51 F 8.28 4.99 0.00 3.10 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 52 K 8.34 4.33 0.00 1.69 1.63 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 1.36 7.81 53 R 8.17 4.48 0.00 1.76 1.89 0.00 3.37 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.52 0.00 54 P 0.00 4.18 0.00 2.22 2.25 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 55 Q 9.01 3.88 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.19 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 56 K 7.93 4.55 0.00 1.86 1.89 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.42 7.81 57 V 8.04 4.38 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.73 4.64 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.37 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 59 E 8.58 4.49 0.00 1.92 1.76 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 2.50 2.27 0.00 60 E 8.39 4.43 0.00 1.93 1.70 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 2.15 2.18 0.00 61 A 8.18 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.84 4.28 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 63 T 8.25 5.48 4.22 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 1.19 0.00 0.00 64 I 7.88 4.53 1.85 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 1.24 0.93 0.00 0.00 65 D 8.60 5.19 0.00 2.64 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 66 V 8.64 3.58 2.11 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 0.90 0.00 0.00 1.06 0.00 0.00 67 R 7.83 3.85 0.00 1.92 2.03 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 68 E 8.22 3.88 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 69 I 7.87 3.67 2.03 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 1.53 0.42 0.91 0.00 0.00 70 D 8.45 4.34 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.20 4.22 0.00 2.10 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 2.34 2.66 0.00 72 N 8.12 5.07 0.00 2.65 2.70 0.00 0.00 6.84 7.20 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 73 V 7.91 3.40 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 0.00 0.00 0.76 0.00 0.00 0.29 0.00 0.00 74 T 7.63 3.76 4.22 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 1.13 0.00 0.00 75 L 7.08 4.05 0.00 1.61 1.76 0.96 0.96 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 76 L 7.41 4.43 0.00 1.87 1.76 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.93 4.04 1.31 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 0.00 0.00 0.00 78 A 7.76 4.48 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 79 D 8.09 4.74 0.00 2.78 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.68 4.29 0.00 3.01 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 4.58 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 1.05 0.00 0.00 82 A 7.99 4.25 1.15 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 0.00 0.00 83 E 8.93 3.80 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 2.24 1.94 0.00 *89 F 7.74 4.60 0.00 3.03 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 90 R 8.70 5.19 0.00 1.83 1.82 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 91 V 8.76 4.51 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 0.69 0.00 0.00 0.96 0.00 0.00 92 D 8.76 4.85 0.00 2.73 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 93 V 8.70 3.62 2.11 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 0.87 0.00 0.00 1.00 0.00 0.00 94 R 7.85 3.58 0.00 2.03 2.02 0.00 3.22 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 95 D 7.98 4.60 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.11 3.98 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 0.80 0.00 0.00 0.94 0.00 0.00 97 V 7.29 3.60 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.59 4.19 0.00 2.06 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 2.39 2.31 0.00 99 E 8.84 4.17 0.00 2.18 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 2.26 2.27 0.00 100 A 7.52 4.40 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 0.00 101 D 7.94 4.73 0.00 2.65 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 0.00 102 D 8.06 4.67 0.00 2.76 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 0.00 103 A 7.48 4.56 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.55 4.31 0.00 2.55 2.45 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 0.00 0.00 0.00 0.00 105 Y 6.31 4.96 0.00 3.03 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 0.00 106 V 8.59 4.68 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 0.94 0.00 0.00 107 K 9.17 4.69 0.00 1.99 1.65 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.45 7.81 108 V 8.33 4.60 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.79 0.00 0.00 109 L 9.49 4.65 0.00 1.68 1.55 0.92 0.73 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 0.00 110 G 8.22 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 0.00 111 A 7.80 4.62 1.31 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 0.00 0.00 0.00 112 G 8.96 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.24 4.52 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 114 V 7.88 4.32 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 0.97 0.00 0.00 0.95 0.00 0.00 115 R 8.79 4.52 0.00 1.66 1.78 0.00 3.15 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 116 H 7.71 5.20 0.00 3.05 3.34 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 0.00 117 E 8.84 4.84 0.00 2.01 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 0.00 2.32 2.27 0.00 118 L 8.63 5.13 0.00 1.64 1.63 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.38 4.93 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 1.22 0.00 0.00 120 L 8.85 5.23 0.00 1.73 1.86 1.07 1.08 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 I 8.75 5.47 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 1.17 1.84 0.98 0.00 0.00 122 A 8.76 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.46 4.43 0.00 2.74 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 0.00 124 D 6.98 4.50 0.00 2.43 2.22 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 0.00 125 F 9.18 5.50 0.00 2.86 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 0.00 126 S 8.58 4.74 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.25 4.00 0.00 2.05 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 2.42 2.43 0.00 128 G 8.23 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 0.00 0.00 0.00 129 A 7.73 4.06 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 3.78 0.00 2.01 1.91 0.00 3.16 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 0.00 131 E 8.32 3.89 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 132 K 8.17 3.87 0.00 1.88 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.66 7.81 133 V 7.94 3.74 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 1.09 0.00 0.00 1.04 0.00 0.00 134 E 7.94 4.77 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 135 G 8.47 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 0.00 136 A 7.53 4.60 1.46 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 0.00 137 G 8.46 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 0.00 138 G 7.78 4.93 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 0.00 139 S 9.21 5.08 0.00 3.77 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 0.00 140 V 8.18 4.45 1.70 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 -0.63 0.00 0.00 0.50 0.00 0.00 141 E 9.34 4.57 0.00 1.93 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 2.23 2.20 0.00 142 L 8.40 4.99 0.00 1.65 1.59 1.21 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.88 4.18 4.35 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 1.26 0.00 0.00 144 D 8.78 4.46 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.01 3.97 0.00 1.61 1.85 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.00 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 0.00 0.00 0.00 147 E 7.79 4.42 0.00 2.12 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 2.34 2.46 0.00 148 E 8.50 4.80 0.00 1.79 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 2.21 2.48 0.00 149 R 7.48 4.56 0.00 1.74 1.83 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 150 Q 7.87 4.31 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.