NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2739 8.2549 119.6885 56.3412 31.4025 174.3005 3 H 5.0834 8.6851 118.1032 53.6662 32.1687 171.2523 4 I 4.6167 8.3126 122.0001 59.7617 39.4412 176.9169 5 S 4.4766 9.4901 121.1750 57.3046 65.1256 173.4107 6 P 4.2534 0.0000 0.0000 66.2717 31.2400 178.8780 7 E 4.0766 8.1551 116.4032 59.1320 29.2903 179.1628 8 E 4.0105 8.1937 119.0805 59.1588 29.5879 178.7493 9 L 3.9871 8.1492 120.5041 58.2445 41.9970 179.2281 10 I 3.6578 7.8790 119.3505 64.4548 37.1096 178.0556 11 A 3.9887 7.8650 121.2238 55.2754 18.0968 179.5123 12 L 3.9074 8.3235 118.9904 58.4314 42.2163 178.6326 13 H 4.0868 8.2286 118.1757 59.5126 29.8594 176.9614 14 D 4.4003 8.4590 120.6218 57.3806 40.6986 178.6882 15 A 4.0275 8.2449 121.3624 55.1111 18.3082 179.2616 16 N 4.4703 8.3054 115.6874 56.8374 39.1130 177.3087 17 I 4.0175 7.8204 122.6320 63.8717 36.9549 178.4378 18 S 4.0888 7.8149 114.9849 61.7484 62.7894 176.5720 19 R 3.8554 7.6350 119.2124 58.8673 29.9368 177.1014 20 Y 4.6325 8.6891 114.1868 56.8993 39.6614 175.0475 21 G 4.1423 8.0520 104.7717 43.2759 0.0000 171.9031 22 G 3.8871 8.2953 105.8423 43.0188 0.0000 173.2311 23 L 4.1955 8.3846 122.2512 53.5454 42.3743 174.7617 24 P 4.5403 0.0000 0.0000 62.6222 33.4380 174.8184 25 G 3.4126 8.2655 103.8812 45.9587 0.0000 174.0731 *27 S 4.2049 7.5521 111.8635 58.3837 64.7129 173.6879 28 D 4.6197 8.6387 125.8946 52.6675 41.5693 175.2184 29 P 4.3981 0.0000 0.0000 65.6188 31.3838 178.8833 30 G 3.7113 8.4308 104.5557 47.6528 0.0000 176.0530 31 R 3.9621 8.0854 119.7448 58.9450 30.2223 178.6715 32 A 4.0026 7.8148 120.2308 55.2758 18.4029 179.5389 33 E 3.9235 8.8787 117.2404 59.5191 29.5022 179.5286 34 A 4.0051 7.9425 120.8490 54.8663 18.4549 179.9016 35 I 3.5908 7.8201 118.4493 64.7195 37.2127 178.7588 36 I 3.7159 7.8247 120.8279 64.1544 36.8885 178.6309 37 G 3.6364 8.2010 106.7455 47.8716 0.0000 175.7282 38 R 3.8534 7.8914 120.9147 58.9061 30.1585 178.7766 39 V 3.3097 7.4461 117.8962 66.0885 31.5743 177.9908 40 Q 3.8482 8.2006 117.9203 58.8101 28.4170 178.8918 41 A 3.9398 7.9414 121.6981 55.1821 18.4613 179.5545 42 R 3.8330 8.0318 117.3260 59.5189 30.0784 178.8686 43 V 3.5548 7.7145 117.5570 65.9245 31.4450 177.9062 44 A 3.9798 7.8832 120.2750 55.4027 18.0597 179.0151 45 Y 3.9732 8.1234 116.9548 60.5200 39.0387 177.1834 46 E 4.1916 8.3649 116.3074 55.1962 31.2533 175.6714 47 E 3.7357 7.4891 118.1055 57.2880 27.2506 175.3858 48 I 4.1354 7.9381 118.6165 60.9008 37.8410 176.8569 49 T 4.2579 8.3844 115.6290 62.3615 69.8992 174.8953 50 D 4.5714 7.9755 122.7289 53.7004 42.1133 176.4676 51 L 4.1750 8.5624 127.7181 57.6914 41.5742 179.1423 52 F 4.4904 8.1771 117.1200 59.6006 39.1673 177.5224 53 E 3.9677 8.5502 119.3271 59.2848 29.5315 178.9675 54 V 3.4709 7.6037 117.9958 65.8746 31.5272 177.6451 55 S 3.9787 8.0748 112.5914 61.6336 62.2735 175.9232 56 A 4.0805 8.2761 123.2774 55.6127 17.9053 179.8694 57 T 3.7608 7.9576 114.0135 67.0758 68.5426 176.2748 58 Y 3.9509 7.8991 118.6303 61.1416 37.8255 178.9446 59 L 4.1237 7.9230 120.8316 58.2353 42.3504 179.2024 60 V 3.5340 7.9240 117.9118 65.8651 31.2922 177.6360 61 A 3.9651 7.9789 119.5268 55.6033 18.4354 179.5511 62 T 3.9566 8.1249 113.8575 66.8068 68.3792 176.7671 63 A 3.9848 7.9339 121.3809 54.6867 18.4003 178.8943 64 R 4.4872 7.8024 113.0920 56.1849 30.8213 177.8850 65 G 3.7451 8.1364 105.9362 44.5323 0.0000 173.4748 66 H 4.1484 7.9987 116.3081 57.0581 26.1223 174.3792 67 I 3.8474 8.3524 122.9624 63.9622 37.6912 176.5325 68 S 4.7846 7.5403 111.5561 57.4003 65.3873 173.0164 69 N 4.7235 8.6707 117.2224 54.0769 37.5486 173.8506 70 D 4.5960 7.9497 115.1032 54.2610 44.6934 174.8869 71 A 3.9105 8.7852 125.0940 53.5891 16.3152 179.6323 72 N 4.4910 7.6631 119.6577 57.5302 38.4282 177.7217 73 K 4.0014 7.9591 119.6560 59.3678 32.1287 179.4583 74 R 3.8561 7.8531 117.8458 59.5595 30.1049 179.0573 75 T 3.8415 7.9695 115.2783 66.4226 68.4267 176.3002 76 A 3.9908 8.0891 122.7046 55.2273 18.4105 179.4122 77 L 3.8489 8.0150 118.3887 58.5435 42.1915 178.8930 78 N 4.3385 8.4113 116.9085 56.1529 38.3816 177.5577 79 S 4.0303 8.6165 115.8438 61.3666 63.1945 176.2621 80 A 3.9382 7.8957 124.8173 54.9548 18.1742 179.7066 81 L 3.9568 7.9490 116.8874 57.2116 41.5353 179.5124 82 L 3.8543 8.0973 121.3237 57.7646 41.7735 178.4078 83 F 3.8674 7.9029 119.7759 61.2973 39.5193 176.7342 84 L 3.8092 7.6694 117.7430 57.8164 41.5173 179.4308 85 R 4.1749 7.7488 119.7108 59.0672 29.7617 178.7801 86 R 3.9329 7.9221 116.5067 58.3094 29.9262 177.6350 87 N 4.6818 7.3609 114.9325 52.6382 39.1320 175.8452 88 G 3.7977 7.7852 107.6595 45.3476 0.0000 173.8303 89 V 4.1071 7.1587 119.8629 60.8363 32.6117 174.7878 90 Q 4.2238 8.6787 128.7849 55.9908 29.5344 175.2401 91 V 3.8406 7.7790 117.6205 59.5518 34.9156 174.2583 92 F 4.8256 6.9929 114.0831 55.9852 39.9712 173.2881 93 D 4.6412 8.7718 121.3777 54.2475 41.9878 175.4212 94 S 4.8358 8.3280 118.3956 55.7352 65.6879 172.8689 95 P 4.3038 0.0000 0.0000 65.4359 31.3905 177.0869 96 E 4.3489 8.0559 113.8281 56.7172 30.5838 178.0778 97 L 4.0042 8.1456 121.0413 57.8667 41.5466 179.0011 98 A 3.9465 7.9090 120.1553 55.3030 18.5091 178.9478 99 D 4.3052 8.1224 116.7068 57.5275 40.8715 178.6377 100 L 3.9116 7.9164 120.4183 58.8212 42.0767 179.2022 101 T 3.8543 8.0230 115.3367 66.5797 68.4843 176.8820 102 V 3.6770 7.9106 120.2841 66.0432 31.5951 178.4595 103 G 3.6508 8.2211 105.1909 46.6748 0.0000 175.5502 104 A 4.2301 8.4669 124.3300 54.7563 18.2803 179.7049 105 A 4.0248 8.0025 117.8171 54.6311 18.2385 178.8611 106 T 4.3452 7.9320 106.3332 61.2462 69.2205 176.4780 107 G 4.0359 7.8458 109.7307 45.9026 0.0000 174.5224 108 E 4.1377 7.9839 118.3518 57.6601 30.2725 176.6371 109 I 4.4284 7.9414 120.6978 58.9974 39.6633 175.8428 110 S 4.5740 8.3533 120.7774 57.1450 65.7992 175.1551 111 V 3.5929 8.1611 120.0826 66.2719 31.1436 177.9035 112 S 4.1310 8.0003 114.3526 61.7621 62.7843 176.6539 113 S 4.1541 7.6099 117.5957 61.6038 62.5704 176.9799 114 V 3.6119 7.8662 120.6873 65.7475 31.2147 177.9654 115 A 4.2285 8.2077 120.7355 55.4602 18.2882 179.3332 116 D 4.3399 8.6912 117.6883 57.8612 40.7981 179.2961 117 T 3.8922 7.9850 116.2864 66.3770 68.3744 177.0431 118 L 3.9930 8.0453 121.0526 57.8029 41.8189 179.5257 119 R 2.5100 8.2551 119.0701 58.5853 29.6288 178.7160 120 R 3.7003 7.4713 117.9655 59.4173 30.2672 178.2109 121 L 3.8923 7.5071 117.3476 56.9246 41.5537 177.4920 122 Y 4.9161 7.8028 112.9126 57.1070 39.8444 175.4494 123 G 3.9566 7.3804 109.2360 43.0443 0.0000 173.6994 124 S 4.2622 8.8713 117.3222 58.6829 62.2925 173.7749 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 2 R 8.25 4.27 0.00 1.64 1.85 0.00 3.06 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 3 H 8.69 5.08 0.00 3.32 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.31 4.62 2.05 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 1.32 0.45 0.97 0.00 0.00 5 S 9.49 4.48 0.00 4.20 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 6 P 0.00 4.25 0.00 2.19 2.17 0.00 3.62 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 2.21 0.00 7 E 8.16 4.08 0.00 2.07 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 2.41 2.47 0.00 8 E 8.19 4.01 0.00 2.22 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 2.34 2.33 0.00 9 L 8.15 3.99 0.00 1.94 1.88 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.88 3.66 2.02 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 0.56 0.93 0.00 0.00 11 A 7.86 3.99 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 12 L 8.32 3.91 0.00 1.87 1.93 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.23 4.09 0.00 3.45 3.47 0.00 5.84 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 14 D 8.46 4.40 0.00 2.75 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 15 A 8.24 4.03 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 16 N 8.31 4.47 0.00 2.94 2.97 0.00 0.00 7.20 7.74 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 17 I 7.82 4.02 1.88 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 1.51 1.63 0.93 0.00 0.00 18 S 7.81 4.09 0.00 4.01 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 19 R 7.63 3.86 0.00 1.63 1.70 0.00 3.01 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 20 Y 8.69 4.63 0.00 3.11 2.95 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 21 G 8.05 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 0.00 0.00 0.00 0.00 22 G 8.30 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 23 L 8.38 4.20 0.00 1.61 1.61 0.93 0.93 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 24 P 0.00 4.54 0.00 2.23 2.06 0.00 3.90 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 1.96 1.96 0.00 25 G 8.27 3.41 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 *27 S 7.55 4.20 0.00 3.89 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 28 D 8.64 4.62 0.00 2.67 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 29 P 0.00 4.40 0.00 2.19 2.08 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 30 G 8.43 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 31 R 8.09 3.96 0.00 2.02 1.98 0.00 3.32 0.00 0.00 3.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 32 A 7.81 4.00 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 33 E 8.88 3.92 0.00 2.05 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 0.00 2.33 2.33 0.00 34 A 7.94 4.01 1.37 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 0.00 0.00 35 I 7.82 3.59 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.08 0.88 0.00 0.00 36 I 7.82 3.72 1.86 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 1.67 1.09 0.96 0.00 0.00 37 G 8.20 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.89 3.85 0.00 1.93 1.97 0.00 3.05 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 39 V 7.45 3.31 1.65 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 0.05 0.00 0.00 0.43 0.00 0.00 40 Q 8.20 3.85 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 41 A 7.94 3.94 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 42 R 8.03 3.83 0.00 1.91 2.03 0.00 3.08 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 43 V 7.71 3.55 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 1.00 0.00 0.00 0.95 0.00 0.00 44 A 7.88 3.98 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 45 Y 8.12 3.97 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.19 0.00 2.12 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 0.00 2.51 2.65 0.00 47 E 7.49 3.74 0.00 2.00 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 2.21 2.18 0.00 48 I 7.94 4.14 1.90 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 1.38 0.51 0.98 0.00 0.00 49 T 8.38 4.26 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 1.23 0.00 0.00 50 D 7.98 4.57 0.00 2.89 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 51 L 8.56 4.18 0.00 1.12 1.38 0.70 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.18 4.49 0.00 3.31 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 53 E 8.55 3.97 0.00 2.19 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 2.34 2.39 0.00 54 V 7.60 3.47 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 0.36 0.00 0.00 0.97 0.00 0.00 55 S 8.07 3.98 0.00 4.25 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 0.00 56 A 8.28 4.08 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 57 T 7.96 3.76 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 1.06 0.00 0.00 58 Y 7.90 3.95 0.00 3.09 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 59 L 7.92 4.12 0.00 1.91 1.86 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.92 3.53 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 0.94 0.00 0.00 0.94 0.00 0.00 61 A 7.98 3.97 1.24 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 0.00 0.00 0.00 62 T 8.12 3.96 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 1.27 0.00 0.00 63 A 7.93 3.98 1.37 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 0.00 0.00 64 R 7.80 4.49 0.00 1.78 1.95 0.00 3.15 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 65 G 8.14 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 66 H 8.00 4.15 0.00 3.27 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.35 3.85 1.74 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 1.33 0.70 0.74 0.00 0.00 68 S 7.54 4.78 0.00 3.94 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 69 N 8.67 4.72 0.00 2.71 2.87 0.00 0.00 6.58 8.47 0.00 0.00 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 D 7.95 4.60 0.00 2.76 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 71 A 8.79 3.91 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 72 N 7.66 4.49 0.00 2.88 2.85 0.00 0.00 7.05 7.49 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 73 K 7.96 4.00 0.00 1.78 1.84 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 74 R 7.85 3.86 0.00 1.95 1.90 0.00 3.23 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 75 T 7.97 3.84 4.31 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 1.28 0.00 0.00 76 A 8.09 3.99 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 3.85 0.00 1.76 1.79 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.41 4.34 0.00 2.82 2.84 0.00 0.00 6.87 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 79 S 8.62 4.03 0.00 4.01 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 80 A 7.90 3.94 1.48 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 81 L 7.95 3.96 0.00 1.69 1.58 0.99 0.36 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 82 L 8.10 3.85 0.00 1.83 1.75 0.87 0.71 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 83 F 7.90 3.87 0.00 2.40 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 84 L 7.67 3.81 0.00 1.78 1.54 0.95 0.52 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 85 R 7.75 4.17 0.00 1.86 1.82 0.00 3.10 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 86 R 7.92 3.93 0.00 1.78 1.81 0.00 3.12 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 87 N 7.36 4.68 0.00 2.09 2.47 0.00 0.00 7.14 7.79 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 88 G 7.79 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 89 V 7.16 4.11 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 1.08 0.00 0.00 0.79 0.00 0.00 90 Q 8.68 4.22 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.57 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 91 V 7.78 3.84 1.43 0.00 0.00 0.00 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 0.76 0.00 0.00 92 F 6.99 4.83 0.00 3.15 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 93 D 8.77 4.64 0.00 2.75 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 94 S 8.33 4.84 0.00 3.95 3.65 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 0.00 0.00 0.00 0.00 95 P 0.00 4.30 0.00 2.09 2.13 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 96 E 8.06 4.35 0.00 2.13 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 0.00 2.31 2.29 0.00 97 L 8.15 4.00 0.00 1.82 1.78 1.06 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.91 3.95 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 99 D 8.12 4.31 0.00 2.69 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 0.00 100 L 7.92 3.91 0.00 1.90 1.86 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.02 3.85 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 1.26 0.00 0.00 102 V 7.91 3.68 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 1.01 0.00 0.00 0.98 0.00 0.00 103 G 8.22 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.47 4.23 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 0.00 105 A 8.00 4.02 1.37 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 0.00 0.00 106 T 7.93 4.35 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 1.29 0.00 0.00 107 G 7.85 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 0.00 0.00 0.00 108 E 7.98 4.14 0.00 1.97 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 2.31 2.33 0.00 109 I 7.94 4.43 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.29 0.91 0.00 0.00 110 S 8.35 4.57 0.00 4.05 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 0.00 111 V 8.16 3.59 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 1.17 0.00 0.00 0.93 0.00 0.00 112 S 8.00 4.13 0.00 3.91 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 0.00 113 S 7.61 4.15 0.00 3.83 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 0.00 114 V 7.87 3.61 2.24 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 1.05 0.00 0.00 0.97 0.00 0.00 115 A 8.21 4.23 1.45 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 0.00 0.00 116 D 8.69 4.34 0.00 2.86 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 0.00 117 T 7.98 3.89 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 1.15 0.00 0.00 118 L 8.05 3.99 0.00 2.04 2.08 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.26 2.51 0.00 1.71 1.83 0.00 3.00 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.12 0.00 120 R 7.47 3.70 0.00 1.91 1.93 0.00 3.27 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 121 L 7.51 3.89 0.00 0.49 0.18 0.64 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.80 4.92 0.00 3.23 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 0.00 123 G 7.38 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 0.00 124 S 8.87 4.26 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.