NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3814 8.3044 118.8058 54.8598 33.0855 176.0407 2 D 4.5818 7.9330 110.3043 54.6740 39.2845 176.1179 3 F 5.0151 8.6372 120.4050 57.5462 41.0689 175.6967 4 R 4.9449 9.4006 120.0706 54.5942 34.5707 174.1863 5 I 4.9800 8.4737 114.9627 59.2760 40.9920 174.4590 6 G 4.3770 9.1122 110.3208 44.6173 0.0000 171.3305 7 Q 5.2352 8.6932 118.0961 54.2010 31.8398 174.5455 8 G 4.4026 9.3724 108.1349 44.8000 0.0000 170.7135 9 Y 5.4066 8.5593 122.0125 55.8727 41.7033 173.6854 10 D 4.6197 8.4311 124.2566 52.9949 45.3648 174.0746 11 V 4.6893 7.7524 121.4799 60.6742 34.6398 173.6293 12 H 4.9759 8.8966 118.7599 53.9318 33.4302 172.9314 13 Q 4.6748 8.6455 119.7952 56.0963 30.0870 175.0530 14 L 4.9778 8.5042 123.5145 54.1048 42.7466 176.7205 15 V 4.6285 9.0782 116.6161 58.6835 36.1766 173.5769 16 P 4.3988 0.0000 0.0000 63.5636 31.9760 176.8213 17 G 3.9150 8.8997 109.7258 45.8200 0.0000 173.4159 18 R 4.6883 7.4044 117.5568 53.1040 33.3329 173.2301 19 P 4.4991 0.0000 0.0000 62.5511 32.5224 175.8907 20 L 4.3923 8.5501 125.6124 54.3176 42.8214 175.2195 21 I 5.0455 8.2667 127.6094 59.5916 40.4469 175.0507 22 I 4.8216 8.3329 127.8127 60.4829 40.4348 175.9370 23 G 4.0327 10.0121 113.6107 46.6157 0.0000 175.0529 24 G 3.9010 9.0918 107.2345 44.9569 0.0000 174.3655 25 V 4.0461 7.4896 120.7769 61.4771 32.3832 174.6647 26 T 4.6731 8.4437 124.5544 63.4191 68.9175 173.9432 27 I 4.3042 8.4482 128.6823 58.4805 39.0180 174.1131 28 P 4.3012 0.0000 0.0000 63.6872 30.2689 175.2370 29 Y 4.7112 8.1946 122.0439 56.8384 41.2877 174.3230 30 E 3.8627 7.9328 123.2205 58.0282 30.1572 176.2771 31 R 4.8484 6.7059 117.0012 54.4751 34.5248 174.1040 32 G 4.5479 8.9950 106.8245 44.0350 0.0000 171.3491 33 L 4.9940 8.3955 119.4543 53.8617 42.7794 176.5573 34 L 4.4214 8.6048 126.2277 54.1990 42.9731 175.9269 35 G 4.0595 8.3103 115.7276 45.9563 0.0000 173.5631 *36 H 4.3074 8.9450 115.9293 57.1291 28.4695 173.8187 37 S 4.7128 7.6602 115.9474 57.4172 63.9664 173.7708 38 D 4.3537 8.7175 118.2510 53.6541 39.4134 175.6275 39 A 3.4033 7.3386 121.3535 53.5013 16.5506 178.7709 40 D 4.6749 7.9843 121.8074 54.5302 40.6203 175.6106 41 V 3.8633 7.9524 129.0703 63.8353 31.4672 178.0005 42 L 3.8751 7.7962 120.3954 58.0250 42.0461 178.7838 43 L 4.0133 7.9739 118.5783 57.9522 41.4059 179.1699 44 H 4.2662 8.4123 116.1560 58.9040 28.6699 177.6497 45 A 4.0191 8.0115 122.4638 55.2376 18.1379 179.7811 46 I 3.6445 7.8068 118.2840 64.7179 37.0925 178.6032 47 T 3.6607 8.1714 116.9157 66.9052 68.2611 176.2611 48 D 4.5102 8.4711 120.5472 57.3671 40.7946 178.7257 49 A 4.0782 8.1995 121.2817 55.1048 18.4505 179.7650 50 L 3.8289 8.0643 117.5618 58.0029 41.6983 179.6107 51 F 4.5647 8.1612 118.0847 60.6720 38.8055 178.0368 52 G 3.6131 8.6245 105.4302 47.8297 0.0000 175.6990 53 A 4.1731 8.2701 123.4544 53.7635 18.4634 178.6293 54 A 3.0424 7.5762 116.0336 50.7162 19.4115 176.7759 55 A 3.6795 7.5369 119.3805 53.5902 16.6181 178.0098 56 L 4.6232 8.6258 117.3348 55.4610 43.3717 177.3946 57 G 3.9643 9.3324 108.7623 44.5738 0.0000 176.2745 58 D 4.8077 8.0393 126.0720 50.8067 43.2215 175.0192 59 I 3.9743 9.2708 119.7902 64.2551 37.5961 178.0172 60 G 3.6389 8.0983 105.7308 47.5619 0.0000 175.2781 61 R 4.0511 8.4100 117.3295 58.3362 29.7997 177.9161 62 H 4.0481 7.4084 115.8416 58.6745 29.4516 174.6564 63 F 5.1746 7.8661 120.1883 55.9996 41.2902 173.8516 *74 D 4.4163 8.3230 122.6701 54.2923 41.6876 176.3067 75 S 4.2243 8.7695 114.9646 61.1430 62.5467 177.2997 76 R 3.8955 8.0389 120.8125 58.9655 29.9435 178.4331 77 A 3.9367 8.5495 120.9255 55.1699 18.2651 179.7176 78 L 3.4695 7.6575 117.0483 57.5569 41.5352 179.5106 79 L 3.9111 7.9694 120.4262 58.1593 42.0524 179.1958 80 R 3.8947 8.2273 118.3507 59.2353 29.9150 178.7076 81 E 4.0178 8.3518 119.1339 59.2144 29.5812 178.1351 82 C 3.9675 8.5890 118.9999 62.6776 31.5283 175.3673 83 A 3.9364 8.0817 122.1787 55.2410 17.7904 179.4954 84 S 4.0636 8.0863 111.3990 61.8239 62.6471 176.7586 85 R 4.0226 8.3666 120.8651 59.0801 29.8916 179.2640 86 V 3.7196 8.2949 118.3751 66.0581 31.5375 178.0208 87 A 4.4532 8.2248 121.9331 54.7306 17.9887 179.3029 88 Q 3.9347 8.3581 117.3669 59.0895 29.2012 177.6916 89 A 4.4060 7.8633 118.7590 52.4496 18.8801 177.8813 90 G 3.7084 8.3585 106.5888 44.9184 0.0000 172.7809 91 F 5.1945 8.0896 117.2324 55.4293 41.7596 174.5433 92 A 4.8952 9.0307 124.0356 50.2202 21.6719 175.7618 93 I 4.2335 8.3955 122.6609 61.3787 37.5756 175.8736 94 R 4.5688 9.0419 126.6419 57.9628 31.4990 176.2823 95 N 4.9650 7.6226 113.1127 52.0962 40.6075 173.5256 96 V 4.9696 8.6797 119.5490 61.2578 35.0281 173.7971 97 D 5.4720 9.2216 126.0368 51.7994 45.0672 174.0736 98 S 5.0917 8.1437 115.3192 58.0629 66.5055 173.3021 99 T 4.9496 8.9580 116.8390 62.0506 72.7210 173.0150 100 I 4.7399 9.0261 126.9468 59.7322 39.8828 174.6739 101 I 4.9244 8.9660 127.6800 59.6540 39.2234 174.6357 102 A 4.7929 8.8899 129.1667 50.4788 22.0655 176.9012 103 Q 3.8662 8.9868 123.4656 58.6594 29.6407 175.8054 104 A 4.5028 7.2963 117.5168 50.1611 21.8855 173.9198 105 P 4.5403 0.0000 0.0000 61.1889 33.1304 175.8369 106 K 4.0801 8.3910 117.9228 56.8315 32.2911 177.1883 107 L 4.4839 8.4103 122.0550 55.3200 43.0384 178.2743 108 A 3.9725 8.2591 120.8482 55.0518 17.8970 177.4309 109 P 4.3152 0.0000 0.0000 64.4324 31.8295 177.2001 110 H 4.8100 8.1494 114.5403 55.6733 29.7140 176.4313 111 I 3.6838 7.3666 122.2387 64.6374 37.0036 177.8541 112 D 4.3491 8.1034 118.8282 57.3068 40.5806 178.6140 113 A 4.0196 7.9368 120.8350 55.2183 18.3758 179.3750 114 M 4.3177 7.9379 118.5270 58.0184 31.9981 178.7870 115 R 3.8463 8.0931 118.5109 59.4998 30.2424 178.3354 116 A 3.9678 8.0816 120.3345 55.1548 18.3365 179.2610 117 N 4.2579 8.3864 115.1830 56.6052 38.6567 177.6756 118 I 3.6532 8.0757 121.1364 64.3240 37.1436 178.2947 119 A 3.9689 8.2694 121.5800 55.1190 18.0522 179.5793 120 A 3.9215 8.0932 119.1296 55.5387 18.2886 179.6553 121 D 4.3381 8.1084 116.1842 56.8590 40.9540 178.0412 122 L 4.3658 7.8913 116.5430 53.2571 42.6787 175.6984 123 D 4.3663 7.5973 117.7186 55.6226 40.1125 172.9787 124 L 4.8547 7.9717 116.8542 51.8679 45.1228 175.5231 125 P 4.5324 0.0000 0.0000 62.2808 32.4671 177.4232 126 L 4.0065 8.4879 119.5633 57.9366 41.6493 178.6322 127 D 4.6876 8.0480 115.0234 54.1928 39.6355 176.4215 128 R 4.6458 8.0997 117.9693 55.9572 31.9892 174.9799 129 V 4.7974 7.8461 118.9771 61.0418 33.7293 174.3702 130 N 5.1140 9.1708 125.4361 51.8222 42.6595 172.9586 131 V 4.8443 8.3023 123.7844 59.9145 34.6162 174.4979 132 K 4.8291 8.9828 126.0913 54.4639 35.7508 174.7887 133 A 5.2227 8.5230 123.8504 50.2600 21.5958 175.7124 134 K 4.7398 8.9966 120.1409 55.0559 37.1758 176.2744 135 T 4.9199 8.3270 113.0082 59.5759 71.5088 173.7477 136 N 4.7975 8.6180 116.5889 52.9508 39.1718 173.9525 137 E 3.8197 8.5737 112.7773 57.0858 27.6502 175.2896 138 K 4.0483 8.2313 112.3770 57.2386 30.8111 175.5168 139 L 4.3844 7.8831 119.5563 54.2188 43.2309 178.5324 140 G 4.0504 8.4950 112.1808 45.1981 0.0000 173.1197 141 Y 4.3341 8.0951 115.8075 60.2265 37.7784 178.2109 142 L 4.1005 7.1205 120.4772 57.6022 41.5815 179.5382 143 G 3.6430 7.9016 104.5498 47.3456 0.0000 175.0770 144 R 4.3762 7.9576 117.7448 55.5741 30.4192 176.6547 145 G 3.9521 7.8227 106.8765 46.8189 0.0000 174.8875 146 E 4.3055 8.6455 121.1743 57.4898 30.0913 176.1218 147 G 4.6848 7.6533 103.6816 45.5136 0.0000 172.2510 148 I 4.9596 8.7008 119.5842 59.3781 41.2111 174.6746 149 E 5.0706 8.9498 126.7112 54.4020 32.5363 174.3766 150 A 5.2584 8.8546 126.2539 50.2692 22.8757 174.9626 151 Q 5.2167 9.1311 118.8224 54.2119 32.7901 174.6171 152 A 5.2544 9.1918 122.8753 50.4064 23.3640 174.8286 153 A 5.2432 9.2788 120.9428 50.1105 22.7696 175.1984 154 A 5.0460 8.9399 122.2436 50.0216 23.0498 174.5754 155 L 5.1072 8.7536 123.5843 53.4512 44.5918 175.7772 156 V 5.2327 8.8924 118.5256 59.5431 36.5366 174.6734 157 V 4.8291 8.8926 120.6601 60.0896 34.7042 175.6995 158 R 4.4237 8.7308 123.4077 55.7543 29.4901 175.8294 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 4.38 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 7.93 4.58 0.00 2.81 2.67 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 0.00 0.00 0.00 3 F 8.64 5.02 0.00 3.06 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 4 R 9.40 4.94 0.00 1.63 1.75 0.00 3.31 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 5 I 8.47 4.98 1.88 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 1.29 0.95 0.92 0.00 0.00 6 G 9.11 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 7 Q 8.69 5.24 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 8 G 9.37 4.40 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 0.00 9 Y 8.56 5.41 0.00 2.94 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 10 D 8.43 4.62 0.00 2.75 2.46 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 0.00 11 V 7.75 4.69 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 0.74 0.00 0.00 1.06 0.00 0.00 12 H 8.90 4.98 0.00 3.06 3.17 0.00 5.62 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 13 Q 8.65 4.67 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 14 L 8.50 4.98 0.00 1.60 1.71 1.08 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.08 4.63 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 0.76 0.00 0.00 1.01 0.00 0.00 16 P 0.00 4.40 0.00 1.92 1.96 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 17 G 8.90 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 18 R 7.40 4.69 0.00 1.81 1.79 0.00 3.30 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 19 P 0.00 4.50 0.00 1.93 1.98 0.00 3.66 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 2.02 2.08 0.00 20 L 8.55 4.39 0.00 2.11 1.80 0.90 0.75 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 21 I 8.27 5.05 1.83 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 1.32 1.03 0.87 0.00 0.00 22 I 8.33 4.82 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.86 0.00 0.00 23 G 10.01 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 0.00 0.00 0.00 24 G 9.09 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 25 V 7.49 4.05 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 0.94 0.00 0.00 0.99 0.00 0.00 26 T 8.44 4.67 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 1.21 0.00 0.00 27 I 8.45 4.30 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.55 0.77 0.00 0.00 28 P 0.00 4.30 0.00 1.99 2.07 0.00 3.74 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 2.08 2.13 0.00 29 Y 8.19 4.71 0.00 2.89 2.89 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 30 E 7.93 3.86 0.00 1.93 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 1.68 2.00 0.00 31 R 6.71 4.85 0.00 1.79 1.97 0.00 3.13 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 32 G 8.99 4.55 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 0.00 33 L 8.40 4.99 0.00 1.55 1.56 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.60 4.42 0.00 1.64 1.60 0.93 1.31 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 35 G 8.31 4.06 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 0.00 0.00 0.00 *36 H 8.94 4.31 0.00 2.94 3.00 0.00 7.20 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.66 4.71 0.00 3.86 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 38 D 8.72 4.35 0.00 2.77 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 39 A 7.34 3.40 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 40 D 7.98 4.67 0.00 2.78 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 41 V 7.95 3.86 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 0.91 0.00 0.00 0.92 0.00 0.00 42 L 7.80 3.88 0.00 1.74 1.87 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.97 4.01 0.00 1.72 1.68 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.41 4.27 0.00 3.45 3.36 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.01 4.02 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 0.00 0.00 46 I 7.81 3.64 1.97 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 1.51 0.67 0.87 0.00 0.00 47 T 8.17 3.66 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 1.20 0.00 0.00 48 D 8.47 4.51 0.00 2.99 2.80 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 49 A 8.20 4.08 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 50 L 8.06 3.83 0.00 1.57 1.53 0.81 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.16 4.56 0.00 3.18 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 52 G 8.62 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 0.00 0.00 0.00 53 A 8.27 4.17 1.26 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 0.00 0.00 54 A 7.58 3.04 1.05 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 55 A 7.54 3.68 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 56 L 8.63 4.62 0.00 1.74 1.71 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.33 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 58 D 8.04 4.81 0.00 3.11 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 59 I 9.27 3.97 2.21 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 1.02 0.00 0.00 60 G 8.10 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 61 R 8.41 4.05 0.00 1.81 2.05 0.00 2.87 0.00 0.00 3.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 62 H 7.41 4.05 0.00 2.12 1.93 0.00 5.59 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.87 5.17 0.00 3.08 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 D 8.32 4.42 0.00 3.15 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 75 S 8.77 4.22 0.00 3.86 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 76 R 8.04 3.90 0.00 1.97 2.02 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 77 A 8.55 3.94 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 78 L 7.66 3.47 0.00 1.73 1.28 0.76 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.97 3.91 0.00 1.82 1.78 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.23 3.89 0.00 2.02 1.96 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 81 E 8.35 4.02 0.00 2.22 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 0.00 2.66 2.79 0.00 82 C 8.59 3.97 0.00 2.84 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 83 A 8.08 3.94 1.38 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 84 S 8.09 4.06 0.00 3.97 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 85 R 8.37 4.02 0.00 2.26 2.15 0.00 3.39 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 86 V 8.29 3.72 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 1.08 0.00 0.00 0.94 0.00 0.00 87 A 8.22 4.45 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 88 Q 8.36 3.93 0.00 2.22 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 89 A 7.86 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.36 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 91 F 8.09 5.19 0.00 3.18 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 92 A 9.03 4.90 1.23 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 93 I 8.40 4.23 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.92 0.00 0.00 94 R 9.04 4.57 0.00 1.90 2.06 0.00 3.48 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.02 0.00 95 N 7.62 4.96 0.00 2.85 2.87 0.00 0.00 5.62 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 96 V 8.68 4.97 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.22 5.47 0.00 2.78 2.43 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 98 S 8.14 5.09 0.00 3.97 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 99 T 8.96 4.95 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 1.21 0.00 0.00 100 I 9.03 4.74 1.85 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 1.20 0.64 0.92 0.00 0.00 101 I 8.97 4.92 1.87 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 1.16 0.70 0.97 0.00 0.00 102 A 8.89 4.79 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 0.00 103 Q 8.99 3.87 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 104 A 7.30 4.50 1.26 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 0.00 0.00 105 P 0.00 4.54 0.00 2.11 1.95 0.00 3.27 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 1.72 1.54 0.00 106 K 8.39 4.08 0.00 1.77 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.46 7.81 107 L 8.41 4.48 0.00 1.67 1.68 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.26 3.97 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 0.00 109 P 0.00 4.32 0.00 1.74 2.01 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 110 H 8.15 4.81 0.00 3.32 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.37 3.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.94 0.00 0.00 112 D 8.10 4.35 0.00 2.67 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 0.00 113 A 7.94 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.32 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.55 0.00 115 R 8.09 3.85 0.00 1.99 2.11 0.00 3.09 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 1.62 1.76 0.00 116 A 8.08 3.97 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 0.00 117 N 8.39 4.26 0.00 2.97 2.86 0.00 0.00 7.06 8.21 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 0.00 118 I 8.08 3.65 1.86 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 1.43 0.67 0.89 0.00 0.00 119 A 8.27 3.97 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 0.00 120 A 8.09 3.92 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 0.00 121 D 8.11 4.34 0.00 2.78 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 0.00 122 L 7.89 4.37 0.00 1.60 1.68 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.60 4.37 0.00 2.69 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 0.00 124 L 7.97 4.85 0.00 1.61 1.53 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.53 0.00 2.35 2.18 0.00 3.71 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 1.99 0.00 126 L 8.49 4.01 0.00 1.73 1.76 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.05 4.69 0.00 2.78 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 0.00 128 R 8.10 4.65 0.00 1.93 2.05 0.00 3.08 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 129 V 7.85 4.80 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 0.78 0.00 0.00 0.93 0.00 0.00 130 N 9.17 5.11 0.00 2.83 2.77 0.00 0.00 6.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.30 4.84 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 1.19 0.00 0.00 0.92 0.00 0.00 132 K 8.98 4.83 0.00 1.78 1.64 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.47 7.81 133 A 8.52 5.22 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 0.00 134 K 9.00 4.74 0.00 1.72 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.33 4.92 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 1.19 0.00 0.00 136 N 8.62 4.80 0.00 2.73 2.70 0.00 0.00 7.03 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 0.00 137 E 8.57 3.82 0.00 2.08 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 0.00 2.24 2.39 0.00 138 K 8.23 4.05 0.00 1.91 1.88 0.00 1.71 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.53 7.81 139 L 7.88 4.38 0.00 1.78 1.51 0.89 0.88 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 0.00 140 G 8.49 4.05 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 0.00 141 Y 8.10 4.33 0.00 3.32 3.31 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 0.00 142 L 7.12 4.10 0.00 1.53 1.69 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.90 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 0.00 144 R 7.96 4.38 0.00 1.87 2.02 0.00 3.29 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 145 G 7.82 3.95 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 0.00 146 E 8.65 4.31 0.00 2.32 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 2.34 2.32 0.00 147 G 7.65 4.68 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 0.00 0.00 0.00 148 I 8.70 4.96 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.01 0.94 0.00 0.00 149 E 8.95 5.07 0.00 2.11 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 2.20 2.23 0.00 150 A 8.85 5.26 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 0.00 151 Q 9.13 5.22 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 152 A 9.19 5.25 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 0.00 153 A 9.28 5.24 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 0.00 154 A 8.94 5.05 1.18 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 0.00 155 L 8.75 5.11 0.00 1.78 1.69 1.04 0.55 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 0.00 156 V 8.89 5.23 2.27 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 0.71 0.00 0.00 0.83 0.00 0.00 157 V 8.89 4.83 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 0.89 0.00 0.00 0.25 0.00 0.00 158 R 8.73 4.42 0.00 1.48 1.84 0.00 2.54 0.00 0.00 2.91 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.86 0.00 * Residues marked with a * may have inaccurate shift predictions.