NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7252 8.4249 118.2047 52.8729 37.5593 173.0785 3 T 4.3672 7.4711 118.6950 63.6732 74.2744 172.9274 4 A 2.9548 7.0313 124.2119 52.3995 20.0825 175.8071 5 Y 5.5202 8.4076 118.7129 56.5531 41.5110 173.3270 6 R 4.7234 8.2970 115.1097 54.8777 32.3464 174.6617 7 V 4.4568 8.4645 114.9717 59.2775 34.9354 174.7961 8 W 4.9022 8.7716 135.0000 55.9756 31.7471 175.9267 9 D 4.7286 7.9330 126.4555 53.0893 39.3222 175.8591 10 G 3.9329 6.5900 110.2769 45.9008 0.0000 174.6955 11 E 4.3287 7.4519 116.7505 56.5693 32.7211 175.6351 12 Q 4.2242 7.6187 119.9024 55.4572 28.6797 175.2849 *14 H 4.7072 8.6709 112.7883 55.6736 30.3198 171.1897 15 Y 4.6241 9.3285 121.6166 55.5869 39.7220 176.5958 16 W 4.0388 8.2237 121.1371 59.7702 27.8527 177.2674 17 D 3.8505 6.3082 117.4964 54.3463 39.4438 176.2950 18 D 4.1986 7.8428 123.7812 54.8720 41.3074 176.4468 19 E 3.9478 8.7022 118.7378 57.8327 29.9608 175.8471 20 G 3.9968 8.9157 110.7017 44.6840 0.0000 172.6088 21 L 4.9071 7.6016 120.2858 54.1967 42.7102 176.6142 22 S 4.7903 9.0851 118.3736 56.4498 65.9663 172.6985 23 L 4.7152 8.7935 126.9628 54.1703 43.1304 175.5137 24 I 4.5105 8.7475 126.9158 59.7073 39.8948 174.5045 25 I 4.7927 8.4628 128.6423 60.0887 38.1872 176.1191 26 K 4.4370 9.4933 128.1236 54.9473 33.7277 178.1000 27 S 4.0534 8.7514 116.1114 61.3847 62.3430 174.5749 28 N 4.5607 8.1049 114.9521 52.9822 37.2696 175.8135 29 G 4.0106 8.2779 108.2431 45.4277 0.0000 173.7481 30 D 4.7741 7.7117 119.5310 53.8685 42.1330 174.9997 31 W 6.1463 7.8238 115.2499 54.5698 32.4886 174.4205 32 T 5.0640 8.4802 116.2036 62.4136 72.7725 172.6461 33 L 4.6330 9.7354 130.1411 54.5636 43.1267 176.0348 34 K 4.9012 9.2297 126.4363 55.1615 35.5519 175.6182 35 R 5.0042 8.5848 121.2512 55.1639 33.7554 173.3726 36 L 4.3439 8.7231 129.7341 55.3866 42.1950 174.5743 37 Y 3.7723 9.0311 130.7675 58.7880 38.3230 176.3109 38 T 4.2296 7.8726 112.1851 62.6431 70.1205 174.7624 39 D 4.8014 8.0566 120.6536 52.9303 43.0128 174.9336 40 V 4.4093 7.4013 118.2788 58.9520 33.6890 174.3534 41 L 4.2637 8.7047 128.2925 54.9784 42.7744 175.9065 42 V 4.5431 9.0215 127.7101 60.0197 33.9207 173.1130 43 P 4.7604 0.0000 0.0000 63.6691 31.3586 175.5545 44 V 4.2565 8.7698 121.5003 64.4337 33.4134 175.8038 45 V 4.4623 7.3960 110.5204 60.7345 36.1750 171.8146 46 D 5.0035 8.2294 121.5523 52.2948 44.0974 176.0176 47 S 3.1272 7.1102 112.6555 59.8069 63.0200 176.2103 48 T 3.6802 7.4767 110.8329 64.5263 68.7007 173.8977 49 N 4.2609 7.8785 125.7973 53.7594 37.8375 175.6834 50 R 4.2665 8.3485 123.2138 57.6173 29.8135 175.2304 51 N 4.6350 8.9031 115.4496 57.0127 38.9339 176.0040 52 A 5.0530 7.9237 117.6323 52.0297 19.4733 176.8670 53 A 4.8129 8.3761 119.8495 50.5977 22.9135 175.9068 54 L 3.9455 8.3709 123.5616 53.2031 44.3280 175.2983 *56 W 5.1510 8.3011 119.7106 56.6328 30.1120 174.5974 57 G 3.9777 8.8135 106.5491 44.2683 0.0000 172.4877 58 A 4.7107 8.2292 121.9567 49.5271 22.6865 175.0630 59 K 4.0382 8.3101 122.5347 55.1140 32.7203 176.5579 60 V 4.2495 8.4616 120.7166 60.9000 35.5184 175.6303 61 R 3.4258 9.5257 122.8202 57.3349 27.5698 176.8700 62 G 4.2260 8.3903 109.4340 45.5241 0.0000 175.0584 63 K 4.3395 7.2319 117.0162 55.6264 33.9010 176.1947 64 F 4.9706 8.5450 120.8163 56.2561 40.5594 175.1929 65 I 4.5325 8.8534 123.4838 58.9732 40.5740 173.3920 66 Y 5.6855 8.8556 126.9720 58.1562 37.6912 177.7366 67 D 5.4070 9.2416 121.4370 53.8574 39.4718 174.4848 68 R 4.6955 7.6450 116.9916 55.0126 33.9109 176.2557 69 S 5.2917 8.9451 115.0078 57.4901 64.8387 173.9108 70 I 5.1635 9.1689 117.0136 59.2365 41.2633 174.6943 71 V 4.6216 8.5983 125.6205 60.4739 32.9341 175.4019 72 K 4.7332 8.9860 133.7619 55.7301 32.8496 174.0513 73 I 5.0314 8.7573 128.5045 58.1120 38.9653 172.3180 74 T 4.1570 9.0369 124.4500 61.8845 68.6927 172.9255 75 S 4.2038 9.5182 125.7417 60.1426 63.5507 173.0795 76 D 5.0604 7.1396 125.4940 54.3661 38.1384 183.7383 77 D 4.7040 8.6426 120.5202 54.9540 40.4015 176.1885 78 K 4.5808 8.5641 120.7739 56.5453 31.0269 178.5855 79 E 4.3847 8.2666 117.4595 57.7283 29.8718 180.9250 80 S 4.7503 7.8584 116.2672 60.0040 65.8849 178.7476 81 S 5.6894 8.1972 122.6214 56.7043 66.6686 169.8281 82 D 4.4487 8.1549 116.2188 54.7580 44.1720 175.0992 83 V 4.6396 8.5731 125.3947 62.0295 32.5268 174.6862 84 C 4.9821 9.5865 125.9520 57.8454 32.3694 172.7602 85 E 4.7244 8.7192 123.1001 55.3703 30.4670 175.6174 86 V 4.2424 9.2240 127.8284 62.3083 32.6324 174.5973 87 K 4.6038 8.6157 127.7304 54.6680 34.9579 175.6019 88 F 4.9254 8.3736 126.0288 56.6679 39.5214 174.6430 89 S 4.2244 7.9980 119.9443 57.3840 65.3904 173.6725 90 D 4.3504 9.2605 124.4206 55.5147 37.8632 174.7515 91 G 3.9640 8.7179 104.8640 45.5041 0.0000 174.3403 92 V 4.5992 7.3724 118.5170 59.8981 34.5268 174.6953 93 F 4.8725 8.9522 122.7459 57.0962 37.8955 174.6323 94 Q 5.0403 8.6912 122.3491 55.3514 31.3356 175.4209 95 V 4.6783 8.5291 118.8305 59.9988 35.2101 173.4780 96 D 4.8608 8.8695 123.7168 54.8061 41.7275 176.1140 97 V 4.4067 9.2870 119.8318 61.3421 33.0872 178.1350 98 S 4.2877 7.9634 119.7298 61.2957 62.5994 180.6595 99 K 4.6457 7.5553 118.0939 53.2933 31.7092 180.4025 *103 D 4.5891 7.7952 116.8515 52.7993 41.2701 175.7761 104 Y 5.0859 7.7495 115.4705 57.3964 41.9597 174.8782 105 D 4.7092 9.0899 124.2660 56.8066 42.0072 176.6574 106 V 4.9899 7.5811 108.3239 60.3356 36.0816 174.0012 107 T 4.5294 8.3007 115.4884 60.8828 71.8063 172.4597 108 A 4.3716 8.5573 127.1263 51.5057 18.9637 179.0033 109 V 3.7164 9.0299 123.4933 64.6663 31.4001 178.0574 110 G 3.9585 7.7999 106.2247 45.7000 0.0000 173.6010 111 W 4.8988 8.4744 121.0255 56.7158 29.8741 176.7266 112 V 3.7433 7.6101 118.5619 61.8891 31.1736 180.6252 113 E 4.3309 9.0056 124.4765 58.1193 30.4108 174.0770 *114 Y 4.3954 7.7816 115.4447 56.6952 37.4610 176.2652 115 A 5.0696 7.5702 120.1028 51.7121 22.6798 175.1770 116 T 4.7615 9.0386 112.1930 62.0403 72.2639 173.7657 117 I 4.8042 8.2812 123.6786 59.5863 40.5676 174.9677 118 E 4.5172 8.4193 127.0481 54.4020 32.5684 174.5878 119 V 4.4143 8.5927 127.9644 63.0531 32.1433 175.6290 120 I 4.5814 9.4781 117.8626 59.3246 39.2101 175.5846 121 G 3.9192 6.8947 108.1996 45.9283 0.0000 170.5130 122 D 5.1401 8.6636 120.7391 51.7648 42.5850 177.5121 123 V 3.5238 8.1991 116.2476 63.6424 31.7659 176.9624 124 Y 3.8004 7.6246 115.2038 60.1924 37.8775 176.2975 125 Q 4.2944 8.4829 116.0712 56.0912 29.9452 175.2140 126 N 5.0446 7.6922 115.4677 51.5190 39.4299 172.6871 127 P 4.2539 0.0000 0.0000 64.2011 32.5491 176.1411 128 E 3.9303 8.4990 111.4329 57.0858 26.6058 175.7754 129 L 4.6779 8.0347 119.3692 55.5594 43.1012 175.8674 130 L 4.7214 7.5391 116.5331 54.9572 41.8704 175.6351 131 E 4.5552 7.7862 116.6364 54.9553 33.8247 172.3421 132 G 3.9405 8.9088 113.4270 46.5041 0.0000 174.3450 133 V 4.2666 8.1797 123.1143 59.8903 34.7733 172.1290 134 K 4.4351 8.4865 126.9831 53.2068 32.5253 172.0576 135 L 4.8135 8.6408 120.0210 54.4278 45.9838 177.3321 136 E 4.7486 8.9190 114.3669 55.7393 30.2227 175.1544 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 N 8.42 4.73 0.00 2.69 2.85 0.00 0.00 5.85 6.83 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 3 T 7.47 4.37 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 0.99 0.00 0.00 4 A 7.03 2.95 -0.04 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 5 Y 8.41 5.52 0.00 2.60 3.19 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 6 R 8.30 4.72 0.00 0.90 0.73 0.00 2.82 0.00 0.00 2.80 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.37 0.00 7 V 8.46 4.46 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 0.08 0.00 0.00 0.90 0.00 0.00 8 W 8.77 4.90 0.00 2.88 2.44 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 9 D 7.93 4.73 0.00 2.75 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 10 G 6.59 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 11 E 7.45 4.33 0.00 1.68 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 2.09 2.07 0.00 12 Q 7.62 4.22 0.00 1.98 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.57 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 *14 H 8.67 4.71 0.00 3.12 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.33 4.62 0.00 2.64 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 16 W 8.22 4.04 0.00 3.26 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 0.00 0.00 0.00 0.00 17 D 6.31 3.85 0.00 2.06 1.54 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 18 D 7.84 4.20 0.00 2.68 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 19 E 8.70 3.95 0.00 1.98 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 0.00 2.24 1.91 0.00 20 G 8.92 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 0.00 0.00 0.00 21 L 7.60 4.91 0.00 1.71 1.73 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.09 4.79 0.00 3.90 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 23 L 8.79 4.72 0.00 1.02 1.27 0.43 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.75 4.51 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 0.95 0.00 0.00 25 I 8.46 4.79 1.96 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.64 1.02 0.00 0.00 26 K 9.49 4.44 0.00 1.84 1.74 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 27 S 8.75 4.05 0.00 3.84 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 28 N 8.10 4.56 0.00 2.87 2.91 0.00 0.00 6.21 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 29 G 8.28 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 0.00 0.00 0.00 30 D 7.71 4.77 0.00 2.57 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 31 W 7.82 6.15 0.00 3.29 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 32 T 8.48 5.06 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 1.29 0.00 0.00 33 L 9.74 4.63 0.00 1.85 1.67 1.04 0.38 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 34 K 9.23 4.90 0.00 1.81 1.74 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.54 7.81 35 R 8.58 5.00 0.00 1.87 1.90 0.00 3.13 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 36 L 8.72 4.34 0.00 1.73 1.59 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 9.03 3.77 0.00 3.04 2.76 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 38 T 7.87 4.23 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 39 D 8.06 4.80 0.00 2.60 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 40 V 7.40 4.41 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 0.94 0.00 0.00 41 L 8.70 4.26 0.00 1.69 1.67 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 V 9.02 4.54 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 0.98 0.00 0.00 0.99 0.00 0.00 43 P 0.00 4.76 0.00 2.10 2.04 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 44 V 8.77 4.26 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 0.64 0.00 0.00 0.95 0.00 0.00 45 V 7.40 4.46 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 0.52 0.00 0.00 1.00 0.00 0.00 46 D 8.23 5.00 0.00 2.26 2.26 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 47 S 7.11 3.13 0.00 3.32 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 48 T 7.48 3.68 4.13 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 1.06 0.00 0.00 49 N 7.88 4.26 0.00 2.65 2.69 0.00 0.00 7.28 7.65 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 50 R 8.35 4.27 0.00 1.87 1.82 0.00 3.31 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 51 N 8.90 4.63 0.00 2.95 2.96 0.00 0.00 6.89 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 52 A 7.92 5.05 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 53 A 8.38 4.81 1.10 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 0.00 0.00 54 L 8.37 3.95 0.00 0.69 1.04 -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *56 W 8.30 5.15 0.00 3.55 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 57 G 8.81 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 58 A 8.23 4.71 0.15 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 59 K 8.31 4.04 0.00 0.79 1.25 0.00 1.17 0.00 0.00 1.38 0.00 0.00 2.56 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.94 0.60 7.81 60 V 8.46 4.25 1.97 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 0.59 0.00 0.00 0.82 0.00 0.00 61 R 9.53 3.43 0.00 1.90 1.97 0.00 3.24 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 62 G 8.39 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 63 K 7.23 4.34 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.54 7.81 64 F 8.55 4.97 0.00 2.94 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 65 I 8.85 4.53 1.79 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 1.31 1.79 0.75 0.00 0.00 66 Y 8.86 5.69 0.00 3.15 2.79 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 67 D 9.24 5.41 0.00 2.68 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 68 R 7.64 4.70 0.00 2.25 2.20 0.00 3.37 0.00 0.00 3.53 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 69 S 8.95 5.29 0.00 3.74 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 70 I 9.17 5.16 1.90 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 1.32 1.08 0.98 0.00 0.00 71 V 8.60 4.62 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 0.80 0.00 0.00 0.94 0.00 0.00 72 K 8.99 4.73 0.00 1.49 1.75 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.27 7.81 73 I 8.76 5.03 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 1.09 0.68 0.91 0.00 0.00 74 T 9.04 4.16 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 75 S 9.52 4.20 0.00 3.58 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 76 D 7.14 5.06 0.00 2.81 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 0.00 0.00 0.00 0.00 77 D 8.64 4.70 0.00 2.60 2.57 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 78 K 8.56 4.58 0.00 1.77 1.71 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.00 7.81 79 E 8.27 4.38 0.00 1.97 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 2.24 2.12 0.00 80 S 7.86 4.75 0.00 3.35 3.73 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 81 S 8.20 5.69 0.00 3.33 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 82 D 8.15 4.45 0.00 2.70 2.50 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 83 V 8.57 4.64 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 0.92 0.00 0.00 0.94 0.00 0.00 84 C 9.59 4.98 0.00 2.85 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 85 E 8.72 4.72 0.00 1.96 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 2.26 2.30 0.00 86 V 9.22 4.24 2.29 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 1.14 0.00 0.00 1.04 0.00 0.00 87 K 8.62 4.60 0.00 1.69 1.66 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81 88 F 8.37 4.93 0.00 2.11 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 89 S 8.00 4.22 0.00 3.66 3.51 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 90 D 9.26 4.35 0.00 2.80 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 91 G 8.72 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 92 V 7.37 4.60 1.97 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 0.83 0.00 0.00 0.85 0.00 0.00 93 F 8.95 4.87 0.00 2.89 3.07 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 94 Q 8.69 5.04 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 95 V 8.53 4.68 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 0.70 0.00 0.00 0.96 0.00 0.00 96 D 8.87 4.86 0.00 2.73 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 97 V 9.29 4.41 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 0.81 0.00 0.00 1.07 0.00 0.00 98 S 7.96 4.29 0.00 3.62 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 99 K 7.56 4.65 0.00 1.73 1.59 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.21 7.81 *103 D 7.80 4.59 0.00 2.60 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 0.00 104 Y 7.75 5.09 0.00 2.99 2.76 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 0.00 105 D 9.09 4.71 0.00 2.68 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 0.00 106 V 7.58 4.99 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 0.71 0.00 0.00 0.95 0.00 0.00 107 T 8.30 4.53 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 1.21 0.00 0.00 108 A 8.56 4.37 0.52 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 0.00 0.00 109 V 9.03 3.72 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 0.76 0.00 0.00 0.94 0.00 0.00 110 G 7.80 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 0.00 111 W 8.47 4.90 0.00 3.37 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 0.00 112 V 7.61 3.74 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 0.66 0.00 0.00 0.93 0.00 0.00 113 E 9.01 4.33 0.00 1.98 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 2.19 1.86 0.00 *114 Y 7.78 4.40 0.00 2.23 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 0.00 0.00 0.00 0.00 115 A 7.57 5.07 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 0.00 116 T 9.04 4.76 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 0.00 117 I 8.28 4.80 1.88 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 1.25 0.64 0.93 0.00 0.00 118 E 8.42 4.52 0.00 2.18 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 2.21 2.25 0.00 119 V 8.59 4.41 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 0.99 0.00 0.00 0.99 0.00 0.00 120 I 9.48 4.58 1.88 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 1.25 0.85 0.98 0.00 0.00 121 G 6.89 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 0.00 122 D 8.66 5.14 0.00 2.80 2.76 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 0.00 123 V 8.20 3.52 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 0.77 0.00 0.00 0.93 0.00 0.00 124 Y 7.62 3.80 0.00 2.02 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 0.00 0.00 0.00 0.00 125 Q 8.48 4.29 0.00 1.87 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.39 0.00 0.00 0.00 0.00 0.00 2.17 1.85 0.00 126 N 7.69 5.04 0.00 2.68 2.69 0.00 0.00 6.96 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 0.00 127 P 0.00 4.25 0.00 2.12 2.06 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 128 E 8.50 3.93 0.00 2.18 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 2.12 1.81 0.00 129 L 8.03 4.68 0.00 1.65 1.69 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.54 4.72 0.00 1.68 1.64 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.79 4.56 0.00 2.01 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 0.00 2.29 2.36 0.00 132 G 8.91 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 0.00 133 V 8.18 4.27 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 0.74 0.00 0.00 0.93 0.00 0.00 134 K 8.49 4.44 0.00 1.77 1.62 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.03 7.81 135 L 8.64 4.81 0.00 1.56 1.56 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.92 4.75 0.00 2.08 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 2.02 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.