NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4054 8.3001 120.3464 55.0681 33.6003 175.1052 2 A 4.3209 8.2218 127.9604 50.7097 17.3197 175.2984 3 G 3.9939 8.3289 102.8960 45.9831 0.0000 171.5703 4 L 3.9283 8.6942 124.4922 56.8523 42.2340 177.0662 5 K 4.1276 7.6234 118.5914 56.2274 33.3303 175.6824 6 D 4.6324 8.6884 126.9611 52.8856 39.6688 174.0781 7 V 3.9481 7.8660 118.8709 62.1789 32.2449 176.1573 8 V 4.4510 7.8912 114.1188 61.1000 36.0185 172.2938 9 T 5.4492 8.2764 114.5283 60.1337 70.9691 173.5376 10 R 4.7974 8.2512 120.6327 54.6939 34.9264 173.9087 11 E 5.1681 8.7238 121.0565 54.2750 31.5930 174.8128 12 Y 4.9764 8.4857 124.0803 56.1696 42.8506 173.5824 13 T 4.4161 8.1880 121.3172 62.0221 70.7287 173.8429 14 I 4.2818 7.6729 127.4306 59.6317 39.1270 174.7859 15 N 4.6213 8.5861 125.0466 52.4582 39.0749 176.1263 16 L 3.9465 8.2409 125.5659 56.7004 41.6108 179.1391 17 H 4.1371 7.6741 116.4593 58.8461 28.8192 177.7249 18 K 3.5140 7.8411 119.3693 59.6387 31.5466 179.6585 19 R 3.9071 7.6755 117.7137 58.7504 29.8099 178.7539 20 L 3.8744 7.5300 119.8411 58.4426 42.2239 178.5314 21 H 4.4869 8.1826 113.9933 58.5130 28.5303 177.2847 22 G 3.8298 7.7502 107.3848 46.7505 0.0000 174.2756 23 V 3.8984 6.6542 118.1303 61.5115 32.3186 175.3056 24 S 4.3427 8.3557 117.9848 58.0988 63.2134 174.1507 25 F 4.3914 8.9343 125.7672 61.1537 39.4328 177.4357 26 K 4.0813 8.2538 118.3169 59.8606 32.6974 177.8556 27 K 4.1846 8.0253 119.1925 57.4146 32.8017 178.3067 28 R 3.8266 7.9822 117.7516 59.9035 29.7507 178.4274 29 A 3.6391 7.8506 119.6841 54.7189 18.2866 177.8515 30 P 4.2019 0.0000 0.0000 65.5268 31.3229 179.1141 31 R 3.9571 7.8459 116.7990 58.8853 29.9861 178.7879 32 A 3.9596 8.0708 120.9567 55.2578 18.4793 180.0798 33 V 3.4728 7.1451 109.4148 64.4563 31.4322 179.0272 34 K 3.9911 7.5416 117.0856 59.1873 31.4136 179.2524 35 E 3.8544 8.2900 118.1731 59.5333 29.5139 179.2673 36 I 3.6636 7.4339 120.5567 63.6800 37.0790 178.2115 37 K 3.9031 7.8145 120.1081 59.4158 31.9119 178.7202 38 K 4.0035 7.8704 119.6695 59.6345 32.1732 178.8739 39 F 4.3817 8.4911 117.8962 60.6127 38.9321 177.5658 40 A 4.0068 8.0807 120.0189 54.9388 18.2838 179.4710 41 K 4.0568 7.8380 119.0483 59.0487 32.0462 178.9636 42 L 3.9175 7.4492 117.4403 58.1051 41.6938 178.7278 43 H 4.1180 7.8397 116.5834 59.5623 29.8555 176.9387 44 M 4.0689 7.6576 119.3135 56.5400 31.7606 177.7606 45 G 3.9065 8.0299 105.0807 45.3450 0.0000 172.7443 46 T 4.6278 7.4310 108.6151 59.2515 71.3981 174.5354 47 D 4.2416 8.7593 123.9292 57.1853 41.7444 175.7426 48 D 4.6641 7.9519 120.3190 53.5784 42.1398 175.2150 49 V 4.6909 8.3870 125.3675 61.0733 34.7912 174.5641 50 R 4.7465 8.5827 125.2376 54.2730 33.1817 174.3759 51 L 4.9154 8.4744 124.4058 53.0836 45.2368 175.8197 52 A 4.4259 8.2065 127.4139 50.8192 19.5834 177.0118 53 P 4.4013 0.0000 0.0000 65.6720 31.3325 178.8510 54 E 3.9894 8.1844 118.5383 59.3160 29.5261 178.9839 55 L 3.9903 7.7409 118.6864 57.7081 41.7509 178.7896 56 N 4.1297 7.9718 116.9303 56.6628 38.9877 176.7404 57 Q 4.1796 8.3862 121.1198 58.9818 28.9083 177.9197 58 A 4.0294 7.9320 121.1086 55.2956 18.5049 179.4115 59 I 3.6679 7.2695 116.5894 64.3397 37.3328 178.5916 60 W 4.9642 8.3484 121.1737 58.4057 28.5734 178.2919 61 K 3.9209 7.6917 119.3942 60.0083 31.6261 178.5290 62 R 4.2263 8.2297 116.1272 56.9605 30.1850 176.7795 63 G 4.1214 7.2065 107.4221 45.0104 0.0000 173.3804 64 V 4.7207 7.7135 116.3757 62.0941 30.9674 176.5778 65 K 4.1371 8.8436 114.4177 55.5514 31.9898 177.2656 66 G 3.7981 7.3707 109.8271 46.5249 0.0000 171.4429 67 V 4.1175 7.6351 121.0604 62.8217 34.1691 174.5611 68 E 4.6267 7.1951 118.5179 55.0874 32.8436 174.9181 69 Y 4.0930 8.5555 121.4693 60.9093 38.1745 176.3845 70 R 4.9544 7.4563 114.7577 54.7710 34.6201 174.3824 71 L 4.6403 8.0477 121.1675 53.4028 45.7407 175.2992 72 R 4.2760 8.5715 126.6003 56.1358 30.8120 175.0969 73 L 4.8271 8.2824 125.6357 53.2457 46.0683 174.7925 74 R 4.7799 8.6796 126.1395 55.0217 31.8977 174.6358 75 I 4.6898 8.7765 126.9853 59.3935 40.6999 173.9900 76 S 5.2953 9.3526 124.7870 56.0818 65.3413 173.5012 77 R 4.8561 8.0688 120.4278 55.5310 31.5132 173.4974 78 K 4.6215 9.0592 124.5675 55.5016 36.4430 175.4477 79 R 4.3645 8.8784 121.6264 54.9918 29.3777 176.5088 80 N 4.3857 8.5727 117.0478 55.8373 37.6228 176.2775 81 E 3.8772 8.1682 118.8214 56.9297 30.2290 175.2480 82 E 3.6758 7.6956 119.4411 56.3927 27.9585 172.4551 83 E 4.9210 8.2470 119.6311 54.2315 33.5058 175.4097 84 D 5.3168 8.4635 120.5947 52.7177 43.6437 174.7956 85 A 5.1803 8.8831 127.0657 50.1576 22.2951 175.1315 86 K 5.2160 8.5763 120.5409 55.0786 37.2562 174.9098 87 N 5.0191 8.4751 118.3672 51.4939 41.2196 171.7209 88 P 4.8587 0.0000 0.0000 62.4861 32.8979 174.6115 89 L 4.9845 8.1593 118.7626 53.0644 45.9252 175.7335 90 F 4.6477 9.2890 121.5252 55.9933 40.7839 174.7431 91 S 5.5631 7.4949 130.8222 58.1110 64.9130 175.0265 92 Y 3.8187 7.9204 126.8838 58.9150 38.4116 177.8425 93 V 4.1439 7.0857 113.3445 61.2566 36.2169 171.9693 94 E 5.4361 8.4304 122.7452 55.7742 31.2903 174.2528 95 P 4.2817 0.0000 0.0000 65.4978 31.5013 177.6193 96 V 3.9538 7.5987 112.6884 60.5731 31.4350 175.9958 97 L 4.2475 8.4435 127.4759 57.4183 42.3280 178.4000 98 V 3.5770 7.7657 117.5637 65.9143 31.3321 177.6646 99 A 3.9703 7.9465 119.9561 55.2887 18.2954 179.4041 100 S 4.0359 8.0656 110.9439 61.3183 62.6062 176.0217 101 A 3.9906 8.4407 123.8161 55.1790 18.0410 179.7720 102 K 4.0456 8.0969 117.1475 59.5898 31.8922 179.9173 103 G 3.5903 7.6040 104.9819 47.6471 0.0000 175.2815 104 L 4.1247 8.1587 122.8444 57.8298 41.8764 178.8141 105 Q 4.0368 7.8143 120.8095 60.1011 29.0748 178.6896 *106 T 4.0911 7.6915 117.1431 67.4742 69.0314 177.9820 *107 V 4.3376 7.6766 116.7062 61.1747 30.7930 180.5883 *108 V 4.0049 8.6073 115.1853 65.2957 32.2541 175.7748 *109 V 3.7226 7.7645 119.2967 62.1259 32.1689 178.2819 *110 E 4.2281 8.8042 118.4236 55.9635 29.5025 173.3143 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 M 8.30 4.41 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 2 A 8.22 4.32 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 3 G 8.33 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 4 L 8.69 3.93 0.00 1.57 1.70 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.62 4.13 0.00 1.67 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.51 7.81 6 D 8.69 4.63 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.87 3.95 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 0.93 0.00 0.00 8 V 7.89 4.45 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 0.82 0.00 0.00 0.92 0.00 0.00 9 T 8.28 5.45 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 10 R 8.25 4.80 0.00 1.87 1.74 0.00 3.35 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 11 E 8.72 5.17 0.00 1.85 1.87 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 2.22 2.13 0.00 12 Y 8.49 4.98 0.00 2.66 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 13 T 8.19 4.42 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 1.11 0.00 0.00 14 I 7.67 4.28 1.80 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 1.57 1.11 0.50 0.00 0.00 15 N 8.59 4.62 0.00 2.81 2.85 0.00 0.00 7.16 6.74 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 16 L 8.24 3.95 0.00 1.79 1.55 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 H 7.67 4.14 0.00 3.16 3.42 0.00 5.82 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 18 K 7.84 3.51 0.00 1.72 1.80 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.51 7.81 19 R 7.68 3.91 0.00 1.76 1.89 0.00 3.33 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 20 L 7.53 3.87 0.00 1.81 1.89 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.18 4.49 0.00 3.23 3.44 0.00 5.82 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.75 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 23 V 6.65 3.90 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 0.76 0.00 0.00 0.94 0.00 0.00 24 S 8.36 4.34 0.00 3.90 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 25 F 8.93 4.39 0.00 2.92 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.25 4.08 0.00 1.97 2.01 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 27 K 8.03 4.18 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.48 7.81 28 R 7.98 3.83 0.00 1.78 1.80 0.00 2.89 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 29 A 7.85 3.64 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 30 P 0.00 4.20 0.00 2.25 2.13 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 31 R 7.85 3.96 0.00 1.90 1.89 0.00 3.26 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 32 A 8.07 3.96 1.17 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 0.00 0.00 33 V 7.15 3.47 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 0.74 0.00 0.00 0.86 0.00 0.00 34 K 7.54 3.99 0.00 1.93 1.83 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.54 7.81 35 E 8.29 3.85 0.00 1.82 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 2.21 2.15 0.00 36 I 7.43 3.66 2.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 0.89 0.00 0.00 37 K 7.81 3.90 0.00 2.05 1.96 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 38 K 7.87 4.00 0.00 1.88 2.09 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.57 7.81 39 F 8.49 4.38 0.00 3.06 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.08 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.06 0.00 1.96 2.05 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.60 7.81 42 L 7.45 3.92 0.00 1.71 1.65 0.85 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.84 4.12 0.00 2.75 3.02 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 M 7.66 4.07 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 45 G 8.03 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 0.00 0.00 0.00 46 T 7.43 4.63 4.39 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 1.20 0.00 0.00 47 D 8.76 4.24 0.00 2.65 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 48 D 7.95 4.66 0.00 2.77 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 49 V 8.39 4.69 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 0.89 0.00 0.00 0.98 0.00 0.00 50 R 8.58 4.75 0.00 1.92 1.78 0.00 3.12 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 51 L 8.47 4.92 0.00 1.57 1.48 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.21 4.43 1.41 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 53 P 0.00 4.40 0.00 2.32 2.36 0.00 3.72 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 2.10 2.08 0.00 54 E 8.18 3.99 0.00 2.02 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 2.37 0.00 55 L 7.74 3.99 0.00 1.77 1.68 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.97 4.13 0.00 2.73 3.06 0.00 0.00 6.86 8.36 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 57 Q 8.39 4.18 0.00 2.41 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 58 A 7.93 4.03 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 59 I 7.27 3.67 1.63 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.32 0.00 0.00 60 W 8.35 4.96 0.00 3.33 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 61 K 7.69 3.92 0.00 2.08 1.99 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.56 7.81 62 R 8.23 4.23 0.00 1.82 1.97 0.00 3.55 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 63 G 7.21 4.12 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 0.00 0.00 0.00 64 V 7.71 4.72 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 1.21 0.00 0.00 0.98 0.00 0.00 65 K 8.84 4.14 0.00 2.14 2.18 0.00 1.77 0.00 0.00 2.06 0.00 0.00 3.20 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.59 1.65 7.81 66 G 7.37 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 67 V 7.64 4.12 1.93 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 0.78 0.00 0.00 0.84 0.00 0.00 68 E 7.20 4.63 0.00 1.83 1.75 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 2.18 2.44 0.00 69 Y 8.56 4.09 0.00 3.04 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 70 R 7.46 4.95 0.00 1.60 1.67 0.00 3.16 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 71 L 8.05 4.64 0.00 1.69 1.36 0.82 0.89 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 72 R 8.57 4.28 0.00 1.74 1.86 0.00 3.33 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 73 L 8.28 4.83 0.00 2.04 1.51 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.68 4.78 0.00 2.01 1.99 0.00 3.15 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 75 I 8.78 4.69 1.89 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 1.10 1.47 0.96 0.00 0.00 76 S 9.35 5.30 0.00 3.88 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 77 R 8.07 4.86 0.00 1.85 1.97 0.00 2.92 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 78 K 9.06 4.62 0.00 1.82 1.61 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.39 7.81 79 R 8.88 4.36 0.00 1.97 2.25 0.00 3.35 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 80 N 8.57 4.39 0.00 2.82 2.95 0.00 0.00 6.02 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 81 E 8.17 3.88 0.00 1.92 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 2.29 2.35 0.00 82 E 7.70 3.68 0.00 2.22 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 2.20 2.42 0.00 83 E 8.25 4.92 0.00 2.00 2.01 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 2.27 2.25 0.00 84 D 8.46 5.32 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.88 5.18 1.21 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 86 K 8.58 5.22 0.00 1.69 1.70 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.64 7.81 87 N 8.48 5.02 0.00 2.72 2.91 0.00 0.00 7.03 8.94 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 88 P 0.00 4.86 0.00 2.13 2.12 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 89 L 8.16 4.98 0.00 1.51 1.62 1.01 0.82 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 90 F 9.29 4.65 0.00 2.96 2.99 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 91 S 7.49 5.56 0.00 3.96 3.84 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 92 Y 7.92 3.82 0.00 2.83 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 93 V 7.09 4.14 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 0.69 0.00 0.00 0.94 0.00 0.00 94 E 8.43 5.44 0.00 1.98 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 2.07 2.13 0.00 95 P 0.00 4.28 0.00 2.09 2.12 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 96 V 7.60 3.95 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 0.68 0.00 0.00 0.95 0.00 0.00 97 L 8.44 4.25 0.00 1.91 1.69 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.77 3.58 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 1.00 0.00 0.00 0.99 0.00 0.00 99 A 7.95 3.97 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 0.00 100 S 8.07 4.04 0.00 3.92 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.44 3.99 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 0.00 102 K 8.10 4.05 0.00 1.84 1.87 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 103 G 7.60 3.59 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 0.00 0.00 0.00 104 L 8.16 4.12 0.00 1.84 1.85 0.93 0.41 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 0.00 105 Q 7.81 4.04 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 *106 T 7.69 4.09 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 *107 V 7.68 4.34 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 0.82 0.00 0.00 0.93 0.00 0.00 *108 V 8.61 4.00 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 0.87 0.00 0.00 0.93 0.00 0.00 *109 V 7.76 3.72 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 0.86 0.00 0.00 0.93 0.00 0.00 *110 E 8.80 4.23 0.00 2.10 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 2.14 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.