NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5886 8.2649 122.4705 52.1834 20.1608 175.7749 2 T 4.5372 8.8356 118.1881 61.4441 71.3717 172.2058 3 K 5.3186 8.8846 124.7426 54.9214 37.3062 174.6489 4 A 5.3196 9.0487 123.9303 51.0381 23.6187 175.0289 5 V 5.0580 8.8172 116.9719 60.6099 35.3150 173.4925 6 A 5.0910 9.2764 124.1587 50.3009 22.3920 174.9564 7 V 4.4741 8.4019 122.4094 61.4359 33.6743 174.3824 8 L 4.8859 9.1091 129.0484 53.7632 43.2844 176.0838 9 K 4.8326 9.1343 122.0460 55.6938 37.1104 176.2540 10 G 3.8640 7.9088 108.5461 45.9541 0.0000 172.3643 11 D 4.5173 8.8440 118.3672 55.7026 41.6950 176.3641 12 G 4.3833 7.5838 108.6594 43.7468 0.0000 171.3535 13 P 4.4450 0.0000 0.0000 63.3686 31.9755 176.1692 14 V 4.1830 7.5517 120.7995 63.0964 32.0106 174.9607 15 Q 5.1158 8.0449 124.8132 55.6245 32.5457 173.6300 16 G 4.2126 7.9079 106.4641 46.3287 0.0000 171.6538 17 I 5.1282 8.0423 119.7838 59.3969 40.8612 175.1153 18 I 4.5779 8.7354 127.3706 59.5158 40.2483 174.3510 19 N 4.9897 8.4877 124.5793 51.4925 41.0208 174.0445 20 F 5.3355 8.8719 120.0702 55.7841 43.0582 173.8286 21 E 5.2543 9.7302 123.1838 54.7621 33.5293 173.7360 22 Q 4.8445 9.4397 127.7058 54.3941 31.2167 175.8758 23 K 4.0654 9.0278 127.2240 58.4864 32.6879 177.7209 24 E 4.7886 7.8409 117.5294 53.9639 32.2864 177.1071 25 S 4.1247 8.8914 117.7334 60.6971 63.1296 174.7022 26 N 4.8468 8.2042 116.5883 52.2040 37.2776 173.9614 27 G 4.1989 7.8448 108.5768 43.1220 0.0000 171.5483 28 P 4.6570 0.0000 0.0000 62.7808 32.4658 175.8858 29 V 4.6020 8.8435 121.5305 61.3265 33.5609 174.7105 30 K 4.8548 9.2495 128.4022 55.8151 33.9232 175.9793 31 V 4.8330 9.2973 124.8021 60.8253 34.3295 174.2490 32 W 5.4574 8.3673 123.8991 55.0256 31.9484 175.4176 33 G 3.9021 7.2178 105.8636 45.9691 0.0000 170.9717 34 S 5.1330 7.7408 113.3910 56.7840 66.6255 174.2688 35 I 5.1378 8.7325 125.5303 59.4027 41.2372 174.5513 36 K 4.8418 9.2742 124.9871 55.5652 36.3651 176.8520 37 G 3.7137 8.8176 105.7229 45.8404 0.0000 173.4087 38 L 4.4789 7.5714 119.7605 52.9667 43.0609 176.5608 39 T 4.2486 8.1467 111.4781 61.0348 69.5275 174.0233 40 E 4.1046 8.6546 124.5537 57.4190 30.3175 175.1420 41 G 3.7454 8.2860 110.7740 43.9297 0.0000 172.2617 42 L 4.7996 8.1896 119.0153 54.6966 42.8936 176.5653 43 H 4.8445 9.1677 119.4598 53.6165 32.7589 173.2346 44 G 4.1844 9.0148 111.0359 47.1729 0.0000 172.2695 45 F 5.6623 9.1615 124.4844 56.8833 42.4380 173.0264 46 H 5.3165 9.1181 122.9673 54.0167 33.5444 172.8897 47 V 4.4151 8.7386 122.8427 62.7643 32.8532 174.9532 48 H 5.1723 9.5514 125.4900 54.2044 31.0278 175.7186 49 E 3.7178 8.7731 121.8112 58.6366 29.9235 177.2025 50 F 5.0402 8.1548 118.1846 55.7228 41.3540 176.2298 51 G 4.4823 8.4897 113.8738 44.6008 0.0000 173.9790 52 D 4.7951 7.9763 117.7553 52.5675 43.1940 174.3774 53 N 5.2804 8.7549 124.7760 52.7083 39.4164 176.4220 54 T 3.9958 8.6353 109.9630 63.1679 69.2400 174.4888 55 A 4.7187 7.8385 125.3584 51.2500 19.9111 175.9584 56 G 3.9569 7.9142 111.9009 47.0900 0.0000 176.4108 57 C 4.4332 8.5965 116.2847 59.2912 35.2637 175.8764 58 T 3.8380 7.5756 117.3042 66.3741 67.7435 175.9159 59 S 4.4580 7.9349 112.8763 59.5610 63.6935 175.3991 60 A 4.5911 7.4070 126.4743 54.5149 18.3073 178.5686 61 G 4.1489 8.1805 105.2053 44.7756 0.0000 170.9411 62 P 4.6771 0.0000 0.0000 61.7299 33.8311 175.2984 63 H 4.1701 8.4806 116.2740 56.3712 29.1380 175.3544 64 F 4.3638 9.1683 125.7816 58.4669 40.4512 174.4369 65 N 4.6049 8.1779 123.8661 51.8796 39.6877 171.6418 66 P 4.5617 0.0000 0.0000 61.4768 33.0033 177.6582 67 L 4.2741 7.9397 120.8230 54.4250 40.5335 175.7068 68 S 3.9407 7.2719 117.0597 60.3877 63.0589 175.5577 *79 R 4.1348 8.1289 121.5633 56.2790 32.0599 175.3958 80 H 4.8234 8.2509 114.7367 54.6335 29.5691 176.5482 81 V 3.4322 8.5740 120.8615 66.4579 31.3182 177.4551 82 G 3.8831 7.9722 104.5629 47.2528 0.0000 172.4913 83 D 4.6353 7.6097 121.1637 53.8414 41.1729 175.4610 84 L 4.6081 8.2002 126.8121 53.4015 42.6663 178.7743 85 G 3.9174 8.7658 110.4216 46.9016 0.0000 174.7992 86 N 5.6057 8.6789 121.3953 51.3631 42.3761 173.0889 87 V 4.3847 8.5621 113.0756 59.9119 35.5737 175.1148 88 T 4.9703 8.1879 118.2569 61.8509 71.4089 173.0241 89 A 4.7630 8.9661 129.6433 50.9776 20.8693 177.3411 90 D 4.9513 8.5708 121.6360 52.2365 41.5670 177.1465 91 K 4.0503 8.5280 117.2339 59.4681 32.0222 177.6362 92 D 4.5343 8.4605 117.0189 54.1108 41.2212 177.2002 93 G 4.2528 8.3945 108.3770 44.5811 0.0000 172.5205 94 V 4.7093 7.9326 119.4878 60.8194 33.8566 174.2196 95 A 5.2541 8.9722 130.4172 49.6280 20.6265 175.1347 96 D 4.9211 8.6208 122.5412 54.4929 42.1515 176.3445 97 V 4.3170 9.0462 123.9582 61.1479 34.1149 174.6814 98 S 4.7301 8.5096 122.2991 57.4541 64.6249 172.8098 99 I 4.8566 9.4027 128.1620 59.4696 41.6145 174.1749 100 E 5.1722 8.8209 125.0180 54.5516 32.4618 174.2798 101 D 4.9185 9.3118 125.6040 52.7160 44.8387 175.7321 102 S 4.6791 8.9044 119.2310 58.4806 63.9273 174.7737 103 V 4.0285 7.9677 120.7631 64.4844 32.1629 176.5418 104 I 4.0410 7.9373 111.7039 60.9785 38.2583 174.8466 105 S 4.6854 8.1862 114.4185 57.0767 65.4114 174.2114 106 L 4.4400 9.0949 123.8378 54.7871 41.8303 176.2725 107 S 4.4990 7.6977 112.7735 57.1254 66.4069 173.9176 108 G 4.0027 8.5851 105.7570 44.8764 0.0000 174.1282 109 D 4.3649 8.4023 117.7086 56.9950 40.7542 177.6040 110 H 5.0537 7.9964 113.3168 55.1796 29.1604 174.3839 111 A 4.2854 7.6672 123.1397 52.9155 18.6809 178.4488 112 I 3.8034 8.1887 112.4271 60.6854 38.4006 176.1392 113 I 3.7675 7.2847 123.0850 63.1328 37.3674 176.2619 114 G 3.8254 9.3923 113.6412 45.3293 0.0000 172.8298 115 R 4.9344 7.4452 119.3046 54.6397 33.8577 174.4605 116 T 4.9461 8.0215 115.0071 62.1086 71.6999 173.4055 117 L 4.8143 8.6485 128.6125 54.0616 43.8587 175.3223 118 V 5.0116 9.0023 126.4728 60.9975 34.9182 174.1716 119 V 5.1631 8.5787 127.0873 60.6260 33.4451 174.7594 120 H 5.2277 9.1440 122.1014 54.0772 30.6232 174.7320 121 E 4.2109 9.3115 122.4443 59.0862 29.8586 177.0552 122 K 4.8027 7.9772 116.6414 53.8282 36.1094 175.5923 123 A 4.3413 8.4342 124.9525 52.0915 18.7966 177.5343 124 D 4.3797 8.3788 122.9197 53.0037 39.1139 175.8071 *142 S 4.2676 8.2226 118.8432 58.1757 64.2725 172.3304 143 R 4.6087 8.3777 123.0709 55.1031 30.3622 176.3339 144 L 4.3378 9.0081 125.2238 57.3731 43.0932 176.8707 145 A 4.8120 7.7482 117.7118 51.4987 22.7533 173.8804 146 C 5.6190 8.6965 113.4638 55.6272 46.9432 172.9857 147 G 4.7433 8.1360 103.9647 45.7614 0.0000 172.8075 148 V 4.3009 8.3585 123.7860 62.5918 32.7795 175.5258 149 I 4.1407 9.1157 129.3894 60.9629 37.8302 175.2812 150 G 4.4070 9.0555 114.8977 43.8448 0.0000 171.9930 151 I 4.2321 8.3115 121.7300 61.1980 37.4862 175.5527 152 A 4.8065 8.4197 128.5951 49.6554 21.8477 176.2923 153 Q 4.0684 8.5145 119.0774 56.4332 29.1967 176.1019 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 A 8.26 4.59 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 2 T 8.84 4.54 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 3 K 8.88 5.32 0.00 1.85 1.71 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.55 1.49 7.81 4 A 9.05 5.32 1.11 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 5 V 8.82 5.06 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 0.71 0.00 0.00 1.00 0.00 0.00 6 A 9.28 5.09 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 7 V 8.40 4.47 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 0.92 0.00 0.00 8 L 9.11 4.89 0.00 1.69 1.60 1.05 0.46 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 9 K 9.13 4.83 0.00 1.65 1.63 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.91 3.86 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 0.00 0.00 0.00 11 D 8.84 4.52 0.00 2.68 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 12 G 7.58 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 13 P 0.00 4.45 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.94 0.00 14 V 7.55 4.18 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 0.84 0.00 0.00 0.92 0.00 0.00 15 Q 8.04 5.12 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.46 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 16 G 7.91 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 0.00 0.00 0.00 0.00 17 I 8.04 5.13 1.82 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 1.52 0.83 0.00 0.00 18 I 8.74 4.58 1.84 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 1.36 0.50 0.00 0.00 19 N 8.49 4.99 0.00 1.44 1.57 0.00 0.00 6.35 8.23 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 20 F 8.87 5.34 0.00 2.89 2.92 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 0.00 0.00 0.00 21 E 9.73 5.25 0.00 2.45 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 0.00 2.32 2.39 0.00 22 Q 9.44 4.84 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 23 K 9.03 4.07 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.49 7.81 24 E 7.84 4.79 0.00 2.04 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 2.32 0.00 25 S 8.89 4.12 0.00 3.99 4.02 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 0.00 0.00 0.00 26 N 8.20 4.85 0.00 2.84 2.93 0.00 0.00 5.80 7.00 0.00 0.00 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 G 7.84 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 28 P 0.00 4.66 0.00 2.13 2.09 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 29 V 8.84 4.60 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 1.34 0.00 0.00 1.08 0.00 0.00 30 K 9.25 4.85 0.00 1.92 1.83 0.00 1.61 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.43 7.81 31 V 9.30 4.83 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 1.01 0.00 0.00 32 W 8.37 5.46 0.00 3.51 3.17 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 0.00 33 G 7.22 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 34 S 7.74 5.13 0.00 3.85 3.62 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 35 I 8.73 5.14 1.79 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.88 0.00 0.00 36 K 9.27 4.84 0.00 1.71 1.87 0.00 1.35 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.34 7.81 37 G 8.82 3.71 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 0.00 0.00 0.00 38 L 7.57 4.48 0.00 1.82 1.44 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.15 4.25 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 1.24 0.00 0.00 40 E 8.65 4.10 0.00 1.95 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 2.48 0.00 41 G 8.29 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 0.00 0.00 0.00 42 L 8.19 4.80 0.00 1.51 1.58 0.91 0.92 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 43 H 9.17 4.84 0.00 3.02 3.37 0.00 5.64 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 44 G 9.01 4.18 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 45 F 9.16 5.66 0.00 3.00 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 46 H 9.12 5.32 0.00 3.26 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.74 4.42 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 0.97 0.00 0.00 0.90 0.00 0.00 48 H 9.55 5.17 0.00 3.06 3.42 0.00 5.67 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 49 E 8.77 3.72 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 2.19 0.00 50 F 8.15 5.04 0.00 3.28 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 51 G 8.49 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 52 D 7.98 4.80 0.00 2.62 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.75 5.28 0.00 2.81 2.70 0.00 0.00 7.44 7.22 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 54 T 8.64 4.00 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 1.23 0.00 0.00 55 A 7.84 4.72 1.27 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 56 G 7.91 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 0.00 0.00 0.00 57 C 8.60 4.43 0.00 2.97 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 58 T 7.58 3.84 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 1.23 0.00 0.00 59 S 7.93 4.46 0.00 4.13 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 60 A 7.41 4.59 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 61 G 8.18 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 0.00 0.00 0.00 62 P 0.00 4.68 0.00 2.07 2.20 0.00 3.60 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 1.98 2.00 0.00 63 H 8.48 4.17 0.00 2.76 2.56 0.00 5.72 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 64 F 9.17 4.36 0.00 2.83 3.02 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 0.00 0.00 0.00 65 N 8.18 4.60 0.00 2.67 2.49 0.00 0.00 6.97 7.71 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 66 P 0.00 4.56 0.00 1.89 1.92 0.00 3.10 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 1.48 1.37 0.00 67 L 7.94 4.27 0.00 1.60 1.66 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.27 3.94 0.00 3.79 3.61 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 *79 R 8.13 4.13 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.47 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 80 H 8.25 4.82 0.00 3.52 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.57 3.43 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 0.85 0.00 0.00 0.70 0.00 0.00 82 G 7.97 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 83 D 7.61 4.64 0.00 2.44 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.20 4.61 0.00 1.69 1.77 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.77 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.68 5.61 0.00 2.58 2.77 0.00 0.00 6.58 7.68 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 87 V 8.56 4.38 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 -0.35 0.00 0.00 0.75 0.00 0.00 88 T 8.19 4.97 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 89 A 8.97 4.76 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 90 D 8.57 4.95 0.00 2.90 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 91 K 8.53 4.05 0.00 1.77 1.92 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.49 7.81 92 D 8.46 4.53 0.00 2.78 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 93 G 8.39 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 0.00 0.00 0.00 0.00 94 V 7.93 4.71 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.92 0.00 0.00 95 A 8.97 5.25 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.62 4.92 0.00 2.57 2.63 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 0.00 0.00 0.00 0.00 97 V 9.05 4.32 2.10 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 0.85 0.00 0.00 0.70 0.00 0.00 98 S 8.51 4.73 0.00 3.90 3.71 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 99 I 9.40 4.86 1.98 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 1.00 0.00 0.00 100 E 8.82 5.17 0.00 1.95 1.80 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 2.21 2.31 0.00 101 D 9.31 4.92 0.00 2.84 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.90 4.68 0.00 3.89 3.86 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 0.00 103 V 7.97 4.03 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 0.80 0.00 0.00 0.92 0.00 0.00 104 I 7.94 4.04 1.93 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 1.02 0.00 0.00 105 S 8.19 4.69 0.00 3.85 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 0.00 106 L 9.09 4.44 0.00 1.74 1.65 1.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.70 4.50 0.00 3.86 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 0.00 108 G 8.59 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 0.00 0.00 0.00 109 D 8.40 4.36 0.00 2.50 2.62 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 0.00 110 H 8.00 5.05 0.00 3.21 3.41 0.00 5.73 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 0.00 111 A 7.67 4.29 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 0.00 112 I 8.19 3.80 1.61 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.29 0.88 0.00 0.00 113 I 7.28 3.77 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.83 0.00 0.00 114 G 9.39 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 0.00 115 R 7.45 4.93 0.00 1.56 1.80 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.33 0.00 116 T 8.02 4.95 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 0.00 117 L 8.65 4.81 0.00 1.82 1.57 0.37 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.00 5.01 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 0.73 0.00 0.00 0.77 0.00 0.00 119 V 8.58 5.16 2.30 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 0.76 0.00 0.00 1.04 0.00 0.00 120 H 9.14 5.23 0.00 3.15 3.35 0.00 5.67 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 0.00 121 E 9.31 4.21 0.00 2.17 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 2.37 2.35 0.00 122 K 7.98 4.80 0.00 1.75 1.68 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.44 7.81 123 A 8.43 4.34 1.27 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 0.00 124 D 8.38 4.38 0.00 2.83 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 *142 S 8.22 4.27 0.00 3.98 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 R 8.38 4.61 0.00 1.69 1.76 0.00 3.28 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 144 L 9.01 4.34 0.00 1.71 1.70 0.96 0.72 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 0.00 145 A 7.75 4.81 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 C 8.70 5.62 0.00 2.99 3.13 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 0.00 0.00 0.00 0.00 147 G 8.14 4.74 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 0.00 148 V 8.36 4.30 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 0.82 0.00 0.00 0.92 0.00 0.00 149 I 9.12 4.14 1.79 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 0.99 0.28 0.36 0.00 0.00 150 G 9.06 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 0.00 151 I 8.31 4.23 1.85 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 1.25 0.54 0.90 0.00 0.00 152 A 8.42 4.81 1.19 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 0.00 153 Q 8.51 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.