NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4765 8.3349 115.4115 58.0817 64.3623 172.8698 4 V 4.3044 8.0117 116.3833 58.1984 34.8373 173.2352 5 P 4.3814 0.0000 0.0000 61.5317 32.8241 174.5363 6 P 4.6120 0.0000 0.0000 62.0980 31.9207 177.2695 7 G 4.0857 8.4768 108.3906 46.2262 0.0000 172.3482 8 D 5.4276 8.7759 118.8045 53.3767 42.9747 175.8775 9 I 4.6871 8.0685 113.3509 59.1214 40.6172 174.2363 10 N 5.0501 8.6263 121.0440 51.7063 41.0491 174.0026 11 T 5.4806 8.2771 112.4767 59.2548 72.5661 173.5834 12 Q 4.5967 8.1567 120.1304 53.7037 32.6405 173.1683 13 P 4.4969 0.0000 0.0000 62.8325 31.7916 176.7532 14 S 4.4190 8.4970 114.2083 60.6118 63.4620 174.7574 15 Q 4.6565 7.6468 116.5079 55.3343 31.1338 174.5904 16 K 4.4271 7.5998 115.6967 56.4401 35.4047 174.1256 17 I 4.5665 8.3710 119.6059 59.3438 41.4892 173.6528 18 V 4.7436 8.4538 128.5891 61.2018 33.4541 174.3244 19 F 5.0745 9.0609 127.1049 56.1163 41.0669 174.3761 20 N 5.5873 9.6156 121.3424 51.2479 40.2967 174.9740 21 A 2.9536 8.8128 125.5098 50.8542 19.2995 175.4353 22 P 4.0753 0.0000 0.0000 62.1508 32.8053 176.1323 23 Y 4.9238 7.8059 118.5605 58.6009 38.1896 176.4393 24 D 4.9867 8.2474 118.3064 53.5301 40.5153 175.5376 25 D 5.0067 7.6779 119.0504 51.9611 44.1936 180.1999 26 K 4.7656 8.7535 123.3141 56.6620 32.2961 176.7094 *27 H 4.4952 8.8085 127.7673 54.7590 29.1440 171.7844 28 T 4.8108 8.2779 122.3777 61.4971 69.0152 174.5413 29 Y 4.4649 8.6097 125.9342 57.9603 40.6783 174.0720 30 H 5.3340 8.7810 114.8585 55.3945 33.0980 173.2358 31 I 4.8864 9.2112 121.1136 59.4270 41.7901 174.1548 32 K 4.8861 8.4626 125.3233 54.6981 34.8697 174.7800 33 I 4.8047 9.0571 128.1352 59.7241 40.6107 174.6821 34 T 4.8529 8.5465 122.2641 61.6441 72.8176 172.9359 35 N 4.7148 9.0947 124.9994 52.5104 39.5013 174.2083 36 A 4.6750 8.3224 129.6667 52.1893 19.6790 176.6789 37 G 4.1978 8.2364 109.5759 45.4885 0.0000 173.9826 38 G 3.9309 8.5344 106.0766 45.9252 0.0000 174.1520 39 R 4.6724 7.5469 117.2979 53.6202 34.0371 174.7706 40 R 4.3824 8.4200 120.8643 57.4875 31.3598 174.9005 41 I 5.1355 8.5606 116.3583 59.7422 41.7735 173.6229 42 G 5.0539 9.2167 109.4513 44.5732 0.0000 171.8568 43 W 6.1877 8.9721 117.9992 55.2823 32.1700 173.3705 44 A 4.6867 9.4346 121.2393 50.7984 22.4629 175.1979 45 I 5.2397 8.3899 119.7370 59.6063 40.5551 175.3205 46 K 4.8627 9.0749 124.7461 55.0964 35.8397 175.0623 47 T 5.2748 8.4252 115.2585 59.9190 71.7484 173.9498 48 T 4.0934 8.4969 111.7896 63.6405 70.4798 173.7633 49 N 5.0787 8.1036 121.1643 51.8894 40.2835 175.3926 *50 M 4.1288 8.6732 122.5684 57.5164 31.7502 175.6742 51 R 4.1066 7.8417 117.0825 59.4962 30.6457 177.9187 52 R 4.0648 8.0152 117.5220 59.3767 30.9259 175.9125 53 L 4.7534 7.7216 117.0411 53.5743 43.2319 176.1690 54 S 4.7595 8.3418 114.4512 57.2923 66.0057 172.8245 55 V 5.5809 8.0764 123.4187 60.8152 35.0882 174.0485 56 D 4.6690 8.3380 123.0511 52.8842 44.3574 173.0507 57 P 4.9306 0.0000 0.0000 62.0270 32.5681 174.3601 58 P 4.7495 0.0000 0.0000 64.5088 32.8375 174.9455 59 C 3.1167 6.4827 113.0918 56.4725 31.8541 172.4881 60 G 3.5279 5.3800 105.7428 45.6876 0.0000 170.9925 61 V 5.1317 8.2160 118.1075 61.2139 34.5785 175.5968 62 L 4.9531 8.8647 126.9208 53.0622 45.0373 176.3305 63 D 4.9824 9.8164 124.3503 52.4866 42.7500 174.1311 64 P 4.3967 0.0000 0.0000 64.6933 31.2528 176.6466 65 K 3.9502 9.2938 120.7669 56.7131 30.3710 175.5509 66 E 4.6207 7.9602 120.9557 55.3696 31.2280 175.1332 67 K 5.2414 8.3793 121.9487 55.3578 36.1660 175.5856 68 V 4.5195 8.9435 120.1219 59.8965 35.2926 174.1475 69 L 4.9238 8.5982 124.3676 53.9375 43.5178 174.8925 70 M 4.9067 8.9827 126.5127 53.7248 35.7533 174.1542 71 A 4.8129 9.3833 126.4783 50.3254 21.4776 175.7932 72 V 4.8358 8.0474 122.5621 61.8043 33.8228 175.1568 73 S 5.4893 8.8870 122.5791 56.0573 67.2731 172.3450 74 C 5.1128 8.3209 119.6982 58.1411 34.8546 172.5306 75 D 5.3342 8.4605 125.3908 52.7600 42.6952 175.8436 76 T 4.4560 8.6069 112.3310 62.4218 69.6449 172.7947 77 F 4.6592 7.7557 118.4487 57.8782 41.8481 173.9511 78 N 4.7375 8.4924 114.9079 49.8557 38.4282 170.8790 79 A 4.1347 8.4189 128.5583 54.6111 18.6169 179.5969 80 A 4.1340 8.0830 117.2580 54.7291 18.4245 177.7892 81 T 4.5762 7.8691 102.1489 60.8198 70.1563 173.0956 82 E 4.6110 7.7423 121.3398 54.6715 32.2398 174.0369 83 D 4.7297 8.2992 118.9194 53.4274 41.9287 175.8046 84 L 4.6257 8.4948 126.3150 55.0503 43.5577 177.2686 *85 N 4.7183 7.9688 113.6864 52.7215 37.8260 180.6590 86 N 4.9861 7.9499 112.8119 53.9250 39.9169 174.0338 87 D 5.2071 7.6459 118.7867 53.6152 43.0969 175.1747 88 R 4.6018 7.8280 116.4853 55.7627 35.0620 173.8332 89 I 4.9466 8.3769 121.2432 60.0238 40.5523 174.7219 90 T 5.0995 9.0752 124.2876 61.8381 71.3679 173.4831 91 I 4.9927 9.0222 127.2083 59.7739 39.5850 174.0852 92 E 5.4083 9.5428 129.1535 54.2978 32.2864 174.6594 93 W 6.2192 9.3431 122.5282 56.1573 32.6643 173.0213 94 T 4.7374 8.9229 113.0140 61.1865 70.6651 171.9465 95 N 5.1492 8.6395 122.6184 53.2483 39.7539 175.2283 96 T 3.4145 8.0565 113.4807 60.2942 70.2224 172.8195 97 P 4.3276 0.0000 0.0000 61.8197 32.1924 175.9187 98 D 4.4391 8.5233 121.4337 56.4363 41.0421 177.2992 99 G 3.8543 8.9671 110.6709 45.6462 0.0000 173.2541 100 A 4.3602 7.7239 121.7621 51.3678 19.4054 177.5002 101 A 4.6862 8.2612 122.4468 50.5578 21.1996 178.4391 102 K 4.4973 8.2934 121.5953 55.0919 30.2895 176.0311 103 Q 4.5739 7.5652 119.8219 54.4724 32.5736 173.2268 104 F 4.1108 8.5759 127.1585 57.3399 40.5008 174.8295 105 R 3.6581 5.8400 127.6454 53.8911 32.2790 176.9124 106 R 3.3109 7.8919 125.4834 61.4694 29.1396 174.7018 107 E 4.0428 7.7486 117.6727 59.3480 29.1249 179.1895 108 W 4.5106 7.3720 117.9815 59.4490 29.0909 177.5884 109 F 5.0106 8.3326 116.5783 59.3199 38.8619 177.5558 110 Q 4.3880 8.2486 117.3808 58.0743 28.9753 176.4865 111 G 3.8663 8.0021 107.6347 45.0063 0.0000 171.8088 112 D 4.5983 8.6246 119.6841 53.7714 41.4744 176.8227 113 G 4.0712 7.4958 113.1513 46.4923 0.0000 170.9774 114 M 4.6272 8.4651 121.1560 53.4427 35.3036 174.4708 115 V 4.2328 8.1702 123.3157 61.0836 33.5924 174.5820 116 R 4.2860 8.4558 128.2509 54.3406 32.0640 174.8590 117 R 5.1809 7.9544 120.7393 54.2310 32.6248 174.4468 118 K 4.6917 9.3540 122.7476 54.9737 35.2384 174.5428 119 N 5.3655 8.9523 124.4323 51.8652 41.1644 174.9320 120 L 4.6162 8.9550 121.6589 52.1820 44.5525 174.5971 121 P 4.6117 0.0000 0.0000 62.5402 32.9815 175.3841 122 I 4.1813 7.5804 122.5905 59.6285 38.5144 174.8470 123 E 4.4222 8.9841 129.0641 54.4573 31.9503 173.9783 124 Y 5.1070 8.5918 124.7936 56.9073 39.5771 174.4662 125 N 4.8759 10.1399 125.7142 51.9433 40.5673 175.0112 126 L 4.2856 8.5949 125.4832 55.0732 41.9377 176.9082 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 S 8.33 4.48 0.00 3.98 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 4 V 8.01 4.30 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 0.74 0.00 0.00 0.93 0.00 0.00 5 P 0.00 4.38 0.00 2.02 1.93 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 6 P 0.00 4.61 0.00 1.96 2.05 0.00 3.59 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.05 0.00 7 G 8.48 4.09 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 0.00 0.00 0.00 8 D 8.78 5.43 0.00 2.73 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 9 I 8.07 4.69 1.44 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.20 -0.18 0.00 0.00 10 N 8.63 5.05 0.00 2.55 2.66 0.00 0.00 6.72 6.62 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 11 T 8.28 5.48 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 1.03 0.00 0.00 12 Q 8.16 4.60 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 13 P 0.00 4.50 0.00 2.25 2.06 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 14 S 8.50 4.42 0.00 3.98 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 15 Q 7.65 4.66 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 16 K 7.60 4.43 0.00 1.66 1.69 0.00 1.36 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.21 1.39 7.81 17 I 8.37 4.57 1.80 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 1.05 1.45 0.70 0.00 0.00 18 V 8.45 4.74 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 0.98 0.00 0.00 0.90 0.00 0.00 19 F 9.06 5.07 0.00 2.95 3.21 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 20 N 9.62 5.59 0.00 2.72 2.78 0.00 0.00 7.00 7.25 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 21 A 8.81 2.95 0.95 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 22 P 0.00 4.08 0.00 1.98 1.93 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 23 Y 7.81 4.92 0.00 2.61 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 0.00 0.00 0.00 0.00 24 D 8.25 4.99 0.00 2.71 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 25 D 7.68 5.01 0.00 2.43 2.41 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 26 K 8.75 4.77 0.00 1.81 1.82 0.00 1.56 0.00 0.00 2.40 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.61 7.81 *27 H 8.81 4.50 0.00 2.64 2.96 0.00 7.21 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.28 4.81 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 1.24 0.00 0.00 29 Y 8.61 4.46 0.00 3.00 3.03 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 30 H 8.78 5.33 0.00 2.97 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 9.21 4.89 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.83 0.89 0.00 0.00 32 K 8.46 4.89 0.00 1.73 1.55 0.00 1.87 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.34 7.81 33 I 9.06 4.80 1.33 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.38 0.42 0.00 0.00 34 T 8.55 4.85 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 1.14 0.00 0.00 35 N 9.09 4.71 0.00 2.71 2.86 0.00 0.00 6.87 8.66 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 36 A 8.32 4.68 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 37 G 8.24 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 38 G 8.53 3.93 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 39 R 7.55 4.67 0.00 1.77 1.79 0.00 3.25 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 40 R 8.42 4.38 0.00 2.02 1.79 0.00 3.12 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 41 I 8.56 5.14 2.33 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 1.18 0.00 0.00 42 G 9.22 5.05 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 0.00 0.00 0.00 43 W 8.97 6.19 0.00 3.57 3.33 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 44 A 9.43 4.69 0.98 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 45 I 8.39 5.24 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.17 1.03 0.00 0.00 46 K 9.07 4.86 0.00 1.86 1.62 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.44 7.81 47 T 8.43 5.27 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 1.25 0.00 0.00 48 T 8.50 4.09 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 1.23 0.00 0.00 49 N 8.10 5.08 0.00 2.81 2.72 0.00 0.00 6.94 7.54 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 *50 M 8.67 4.13 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.14 0.00 51 R 7.84 4.11 0.00 2.04 2.01 0.00 3.29 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.18 0.00 52 R 8.02 4.06 0.00 1.80 1.78 0.00 2.86 0.00 0.00 2.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.44 0.00 53 L 7.72 4.75 0.00 1.70 1.64 0.89 0.81 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 54 S 8.34 4.76 0.00 3.89 3.68 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 55 V 8.08 5.58 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 1.13 0.00 0.00 0.99 0.00 0.00 56 D 8.34 4.67 0.00 2.83 2.47 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 0.00 0.00 0.00 0.00 57 P 0.00 4.93 0.00 2.20 2.09 0.00 4.00 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 2.30 2.09 0.00 58 P 0.00 4.75 0.00 2.06 2.34 0.00 3.68 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 1.97 1.94 0.00 59 C 6.48 3.12 0.00 1.23 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 0.00 0.00 0.00 60 G 5.38 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 0.00 0.00 0.00 61 V 8.22 5.13 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 1.01 0.00 0.00 1.35 0.00 0.00 62 L 8.86 4.95 0.00 1.81 1.57 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.82 4.98 0.00 2.72 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 64 P 0.00 4.40 0.00 2.16 2.31 0.00 3.61 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 2.00 2.28 0.00 65 K 9.29 3.95 0.00 1.91 2.01 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.35 7.81 66 E 7.96 4.62 0.00 2.20 1.88 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 2.29 2.27 0.00 67 K 8.38 5.24 0.00 1.74 1.64 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.39 7.81 68 V 8.94 4.52 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 0.40 0.00 0.00 1.02 0.00 0.00 69 L 8.60 4.92 0.00 1.62 1.63 0.92 0.95 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 70 M 8.98 4.91 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 71 A 9.38 4.81 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 72 V 8.05 4.84 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 1.17 0.00 0.00 1.00 0.00 0.00 73 S 8.89 5.49 0.00 3.84 3.76 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 74 C 8.32 5.11 0.00 2.88 2.85 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 0.00 0.00 0.00 75 D 8.46 5.33 0.00 2.80 2.64 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 76 T 8.61 4.46 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 1.27 0.00 0.00 77 F 7.76 4.66 0.00 2.97 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 78 N 8.49 4.74 0.00 2.61 2.72 0.00 0.00 7.34 8.09 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 79 A 8.42 4.13 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 80 A 8.08 4.13 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 81 T 7.87 4.58 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 82 E 7.74 4.61 0.00 1.92 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 2.26 2.49 0.00 83 D 8.30 4.73 0.00 2.58 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 84 L 8.49 4.63 0.00 1.70 1.25 0.94 0.83 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 *85 N 7.97 4.72 0.00 2.82 2.71 0.00 0.00 6.76 7.87 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 86 N 7.95 4.99 0.00 2.65 2.81 0.00 0.00 7.00 8.06 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 87 D 7.65 5.21 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.83 4.60 0.00 1.67 1.73 0.00 3.05 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 89 I 8.38 4.95 1.97 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 1.23 0.62 0.92 0.00 0.00 90 T 9.08 5.10 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 1.26 0.00 0.00 91 I 9.02 4.99 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.74 1.05 0.00 0.00 92 E 9.54 5.41 0.00 2.21 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 1.95 2.19 0.00 93 W 9.34 6.22 0.00 3.76 3.39 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 94 T 8.92 4.74 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 1.81 0.00 0.00 95 N 8.64 5.15 0.00 2.68 2.68 0.00 0.00 6.58 7.05 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 96 T 8.06 3.41 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 0.26 0.00 0.00 97 P 0.00 4.33 0.00 2.17 1.95 0.00 2.35 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 98 D 8.52 4.44 0.00 2.64 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 99 G 8.97 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.72 4.36 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.26 4.69 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 0.00 102 K 8.29 4.50 0.00 1.79 1.83 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.53 7.81 103 Q 7.57 4.57 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 104 F 8.58 4.11 0.00 2.79 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 0.00 105 R 5.84 3.66 0.00 0.67 1.20 0.00 2.98 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.88 0.00 106 R 7.89 3.31 0.00 1.81 1.96 0.00 3.27 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.31 0.00 107 E 7.75 4.04 0.00 1.86 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 2.30 2.35 0.00 108 W 7.37 4.51 0.00 3.14 3.10 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 0.00 0.00 0.00 0.00 109 F 8.33 5.01 0.00 3.14 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 0.00 110 Q 8.25 4.39 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 111 G 8.00 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 0.00 0.00 0.00 112 D 8.62 4.60 0.00 2.68 2.64 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 0.00 113 G 7.50 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 0.00 114 M 8.47 4.63 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 115 V 8.17 4.23 1.79 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 0.09 0.00 0.00 0.63 0.00 0.00 116 R 8.46 4.29 0.00 0.67 0.66 0.00 2.82 0.00 0.00 2.65 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.12 0.00 117 R 7.95 5.18 0.00 2.03 1.73 0.00 3.10 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 118 K 9.35 4.69 0.00 2.17 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.48 7.81 119 N 8.95 5.37 0.00 2.64 2.70 0.00 0.00 6.93 7.85 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 0.00 120 L 8.95 4.62 0.00 1.55 1.49 0.87 1.04 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 0.00 121 P 0.00 4.61 0.00 1.97 1.89 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 122 I 7.58 4.18 1.37 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.30 -0.81 0.00 0.00 123 E 8.98 4.42 0.00 1.84 1.67 0.00 0.00 0.00 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 2.22 0.00 124 Y 8.59 5.11 0.00 3.03 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 0.00 125 N 10.14 4.88 0.00 2.84 2.98 0.00 0.00 6.76 6.54 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 0.00 126 L 8.59 4.29 0.00 1.76 1.61 1.00 1.22 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 * Residues marked with a * may have inaccurate shift predictions.