NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2481 8.3344 116.7855 58.4567 65.4379 173.0380 -7 D 5.1855 7.7060 126.4794 52.8716 41.4128 174.6832 -6 P 4.0204 0.0000 0.0000 65.6409 32.2322 177.7909 -5 S 5.0402 8.0622 111.0113 58.6508 63.0825 174.5352 -4 S 4.7299 8.3522 115.7431 58.1473 64.6486 176.1001 -3 I 4.2421 7.8030 122.7733 63.8649 37.3944 177.7167 -2 N 5.0687 7.6957 116.0875 52.5880 39.6626 176.6138 -1 G 4.0373 7.8799 102.9892 45.1731 0.0000 172.1399 -7 G 4.5055 7.6960 114.8794 43.7716 0.0000 173.2832 -6 I 3.7704 9.3136 128.6457 63.4408 38.9322 176.8909 -5 V 4.6902 7.7822 114.5113 62.5508 32.1825 176.2352 -4 V 4.3799 8.0722 119.2431 62.0473 33.7486 177.8001 -3 A 4.3921 8.0430 126.6733 55.2649 17.6944 179.1167 -2 M 4.8087 7.5757 116.9875 54.8880 33.6626 177.7138 -1 T 4.4273 7.6999 107.7892 61.8731 67.8853 171.9399 8 G 3.8943 8.5311 111.5231 44.4128 0.0000 171.5815 9 K 4.0310 8.7024 122.7181 56.7269 31.7486 177.0432 10 D 4.4674 8.7024 127.6036 54.5515 38.6854 173.1849 11 C 4.7245 7.4667 109.8317 57.5636 32.2600 172.5167 12 V 4.9864 7.9427 112.1347 59.7576 35.2950 174.6424 13 A 4.7191 8.4959 124.2112 50.1575 21.9423 175.3076 14 I 5.3733 8.1020 120.0260 59.4779 41.0841 173.9672 15 A 4.9462 8.4987 129.2597 50.7804 22.5718 174.1939 16 C 5.3713 8.2832 112.4922 57.3578 32.7779 173.2731 17 D 4.7890 8.4722 120.0199 52.7022 41.3432 175.7540 18 L 5.0678 8.2527 114.7744 53.4894 43.6193 176.8381 19 R 4.5483 8.0588 119.8406 56.4384 31.3153 176.1169 20 L 4.3421 8.7561 127.0977 54.2456 44.7787 174.4368 21 G 4.5631 8.3601 113.6066 44.3180 0.0000 170.9160 22 S 4.6540 8.7731 113.5688 56.9965 64.3126 175.0776 23 Q 3.5801 8.2302 130.4310 57.1132 27.0780 176.6613 24 S 4.1517 8.9103 121.3971 61.5332 63.4315 173.6006 25 L 3.9936 7.8702 123.3031 54.3991 41.3785 176.0697 26 G 3.9795 8.5539 116.3027 45.5605 0.0000 171.6995 27 V 4.1584 8.5791 123.2805 63.6178 33.3918 175.8591 28 S 4.7459 7.7392 112.9521 56.4898 65.1555 173.2522 29 N 5.3701 8.8343 123.2306 52.7516 37.4102 174.8135 30 K 4.5477 7.9970 114.3863 56.7565 33.5409 176.9586 31 F 4.5498 8.2728 124.0649 57.0656 37.8807 174.4854 32 E 4.0059 7.9834 125.9592 55.8608 30.2036 177.0802 33 K 4.2758 8.1869 119.2404 56.0877 34.0534 175.2303 34 I 4.7421 7.0411 120.9919 59.6826 39.1785 174.7242 35 F 4.9647 9.3308 124.0094 56.4214 44.2181 173.1534 36 H 4.7765 7.4881 112.3659 54.5222 30.7950 172.5081 *38 Y 4.7072 7.8095 117.6130 58.7275 39.1265 175.2696 39 G 3.8300 8.1842 116.4749 47.3848 0.0000 173.1908 40 H 4.6389 8.8995 120.5455 54.9614 29.0479 174.2810 41 V 4.2236 7.4752 121.5642 61.7109 33.0943 174.5363 42 F 5.0176 9.2625 126.7975 55.7762 41.8512 174.6338 43 L 5.2447 9.4994 124.4894 53.5981 45.2118 175.2316 44 G 4.5543 9.3980 114.2242 44.8608 0.0000 172.4744 45 I 5.1701 8.8605 123.6991 59.8914 40.9204 175.1703 46 T 4.4395 8.5245 117.3792 60.2930 71.6360 172.2153 47 G 4.1136 8.7766 105.2091 43.9914 0.0000 173.2545 48 L 4.0311 8.9810 124.2524 54.8755 42.6795 178.1461 49 A 4.1879 9.9942 128.8273 56.0066 18.1639 178.8861 50 T 3.8747 8.0281 110.6528 65.7154 67.2805 175.6905 51 D 4.4793 8.1853 120.0996 56.8838 41.0938 178.7781 52 V 3.6702 8.0166 119.1310 66.2788 31.6283 178.2106 53 T 3.8606 8.4834 115.7901 66.9526 68.2736 176.5924 54 T 3.7700 7.8946 117.4817 66.8467 68.4954 176.5691 55 L 3.3467 7.9263 120.9434 57.3835 41.5447 179.1061 56 N 4.3944 7.6155 117.7881 56.3180 38.8902 176.8342 57 E 3.9889 8.0504 119.7689 59.4092 29.3695 179.2247 58 M 3.7381 7.8505 118.5778 58.6261 32.2177 178.3980 59 F 4.2970 7.9618 118.0171 59.8801 38.8450 177.8984 60 R 3.8820 7.9451 120.2047 58.9895 29.8565 177.4578 61 Y 4.0554 7.8516 119.2669 60.9643 38.6335 178.6474 62 K 4.2576 8.5202 119.4107 59.8148 32.2860 179.6133 63 T 3.9309 8.2529 110.3306 64.6966 68.5171 176.3755 64 N 4.4534 8.5055 119.7045 56.3042 38.5419 177.3866 65 L 3.9845 7.6591 120.4315 57.7880 41.6651 178.7731 66 Y 4.0031 8.3129 119.7298 60.7204 38.5967 178.3451 67 K 4.4666 8.2342 121.8121 58.8574 32.0869 178.8481 68 L 3.9496 7.6289 118.4267 57.8568 41.6675 179.3580 69 K 4.0959 8.0760 117.2920 59.1571 32.2038 178.8694 70 E 3.9264 8.3140 117.6570 56.0426 30.5050 176.2005 71 E 3.8101 8.0182 117.7642 55.9090 27.2784 174.3923 72 R 4.4819 6.9223 114.8272 55.7603 31.5010 174.0905 73 A 4.3087 8.4922 122.7459 51.7599 19.2259 177.5413 74 I 3.8084 8.0783 120.6237 60.9356 38.3601 176.0775 75 E 4.5511 8.2771 124.9159 54.3608 32.4450 175.7975 76 P 4.3429 0.0000 0.0000 66.0083 31.0008 178.8739 77 E 3.9996 8.1759 116.7263 59.7142 29.4353 179.4943 78 T 3.8716 7.8208 115.1300 66.6749 68.6602 176.2543 79 F 4.0461 8.4389 122.8657 61.6665 39.1968 177.1569 80 T 3.6598 7.9924 115.1905 66.7819 68.1597 176.5827 81 Q 3.9010 7.6155 119.3005 58.7404 28.7237 178.4618 82 L 3.8749 7.7703 121.4612 57.9978 42.0563 179.2917 83 V 3.3424 7.5939 118.6303 65.7827 31.4041 177.9491 84 S 4.0678 8.1309 113.4076 61.5051 62.1705 176.3473 85 S 4.2564 8.3578 117.1208 61.4144 62.6357 176.5694 86 S 4.1944 8.0161 118.1761 61.2984 62.8316 176.3748 87 L 4.2715 8.0668 121.8293 57.9897 41.5358 178.7311 88 Y 3.8766 8.0547 118.6763 59.6760 38.4745 177.0801 89 E 4.1651 7.9803 118.9889 58.1693 29.8663 176.9601 90 R 4.4364 7.5159 118.1445 55.8023 30.9863 177.8973 91 R 3.1104 6.9956 120.9598 59.0697 29.7731 176.9367 92 F 4.7442 7.5015 112.4486 57.0447 39.7570 176.8278 93 G 4.1368 7.6406 108.2367 43.7854 0.0000 171.9712 94 P 4.0360 0.0000 0.0000 62.5014 32.4362 176.2005 95 Y 4.1028 7.7802 117.2786 58.0013 38.7483 176.6669 96 F 4.7412 9.0129 124.4125 56.4202 37.8438 174.8571 97 V 5.0925 7.8979 114.5072 59.3535 36.4218 175.7269 98 G 4.2594 8.5998 107.6420 43.6586 0.0000 170.8128 99 P 4.8972 0.0000 0.0000 63.5556 33.0372 176.8146 100 V 4.4372 8.8486 121.6878 61.5958 34.9697 173.6890 101 V 5.1145 8.6145 127.3864 61.3015 33.5684 174.5071 102 A 4.7861 9.5437 128.2855 49.6598 22.8834 175.4912 103 G 4.3416 7.9166 108.3482 46.6907 0.0000 171.5567 104 I 4.5824 7.9875 120.5253 59.0074 39.2168 175.7590 105 N 4.9613 8.7193 121.7402 53.4437 38.7879 174.3576 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 -8 S 8.33 4.25 0.00 3.84 3.78 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 -7 D 7.71 5.19 0.00 2.75 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 -6 P 0.00 4.02 0.00 1.05 1.41 0.00 3.24 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 0.84 1.71 0.00 -5 S 8.06 5.04 0.00 4.06 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 S 8.35 4.73 0.00 3.78 3.78 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 -3 I 7.80 4.24 1.85 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 1.54 0.58 0.88 0.00 0.00 -2 N 7.70 5.07 0.00 2.78 2.78 0.00 0.00 7.62 7.59 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 -1 G 7.88 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 -7 G 7.70 4.51 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 0.00 0.00 0.00 -6 I 9.31 3.77 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 1.41 1.11 0.91 0.00 0.00 -5 V 7.78 4.69 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 1.00 0.00 0.00 0.93 0.00 0.00 -4 V 8.07 4.38 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 0.89 0.00 0.00 0.93 0.00 0.00 -3 A 8.04 4.39 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 -2 M 7.58 4.81 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 -1 T 7.70 4.43 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 8 G 8.53 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 9 K 8.70 4.03 0.00 1.70 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.70 4.47 0.00 2.82 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 11 C 7.47 4.72 0.00 3.02 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 12 V 7.94 4.99 2.05 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 0.70 0.00 0.00 0.91 0.00 0.00 13 A 8.50 4.72 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.10 5.37 1.80 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.10 0.73 0.00 0.00 15 A 8.50 4.95 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 16 C 8.28 5.37 0.00 3.04 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 17 D 8.47 4.79 0.00 2.72 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 18 L 8.25 5.07 0.00 1.61 1.78 0.98 0.97 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 19 R 8.06 4.55 0.00 1.86 1.87 0.00 3.24 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 20 L 8.76 4.34 0.00 1.58 1.41 0.74 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.36 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.65 0.00 3.72 3.69 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 23 Q 8.23 3.58 0.00 2.23 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 24 S 8.91 4.15 0.00 3.97 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 25 L 7.87 3.99 0.00 1.77 1.77 0.92 0.88 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 26 G 8.55 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 27 V 8.58 4.16 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 0.77 0.00 0.00 0.98 0.00 0.00 28 S 7.74 4.75 0.00 3.85 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 29 N 8.83 5.37 0.00 2.86 2.87 0.00 0.00 5.89 7.13 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 30 K 8.00 4.55 0.00 1.80 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.37 7.81 31 F 8.27 4.55 0.00 3.13 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 32 E 7.98 4.01 0.00 1.69 1.58 0.00 0.00 0.00 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 2.37 0.00 33 K 8.19 4.28 0.00 1.60 1.97 0.00 1.76 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.43 7.81 34 I 7.04 4.74 1.70 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 1.22 0.74 1.00 0.00 0.00 35 F 9.33 4.96 0.00 2.76 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 36 H 7.49 4.78 0.00 2.05 1.83 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.81 4.71 0.00 2.70 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 39 G 8.18 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 40 H 8.90 4.64 0.00 3.32 3.38 0.00 5.51 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.48 4.22 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 0.74 0.00 0.00 0.71 0.00 0.00 42 F 9.26 5.02 0.00 3.18 2.94 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 43 L 9.50 5.24 0.00 2.05 1.79 1.12 1.25 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 44 G 9.40 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 45 I 8.86 5.17 2.11 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 1.48 0.99 1.04 0.00 0.00 46 T 8.52 4.44 4.32 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 1.27 0.00 0.00 47 G 8.78 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.98 4.03 0.00 1.89 1.76 0.98 1.35 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 49 A 9.99 4.19 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 50 T 8.03 3.87 4.28 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 1.29 0.00 0.00 51 D 8.19 4.48 0.00 3.07 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 52 V 8.02 3.67 2.61 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 1.37 0.00 0.00 1.25 0.00 0.00 53 T 8.48 3.86 4.44 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 1.26 0.00 0.00 54 T 7.89 3.77 4.26 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 1.07 0.00 0.00 55 L 7.93 3.35 0.00 1.55 1.64 0.83 -0.58 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 56 N 7.62 4.39 0.00 1.61 2.53 0.00 0.00 6.88 7.09 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 57 E 8.05 3.99 0.00 2.10 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 2.32 2.38 0.00 58 M 7.85 3.74 0.00 1.45 1.61 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 59 F 7.96 4.30 0.00 2.86 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 60 R 7.95 3.88 0.00 2.19 2.14 0.00 3.22 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 61 Y 7.85 4.06 0.00 3.15 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 62 K 8.52 4.26 0.00 1.98 1.98 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.60 1.67 7.81 63 T 8.25 3.93 4.21 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 0.97 0.00 0.00 64 N 8.51 4.45 0.00 2.89 2.86 0.00 0.00 6.93 7.38 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 65 L 7.66 3.98 0.00 1.83 1.72 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.31 4.00 0.00 3.16 3.18 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 67 K 8.23 4.47 0.00 2.12 1.96 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 68 L 7.63 3.95 0.00 1.82 1.69 0.88 0.98 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 69 K 8.08 4.10 0.00 1.58 1.77 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.53 7.81 70 E 8.31 3.93 0.00 1.53 1.69 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 1.66 1.47 0.00 71 E 8.02 3.81 0.00 2.07 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 2.22 2.19 0.00 72 R 6.92 4.48 0.00 2.04 2.04 0.00 3.03 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 73 A 8.49 4.31 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 74 I 8.08 3.81 1.09 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.13 0.66 0.00 0.00 75 E 8.28 4.55 0.00 2.05 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 2.42 2.39 0.00 76 P 0.00 4.34 0.00 2.19 2.15 0.00 3.64 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 2.16 2.18 0.00 77 E 8.18 4.00 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 2.42 2.48 0.00 78 T 7.82 3.87 4.32 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 1.19 0.00 0.00 79 F 8.44 4.05 0.00 3.03 3.16 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 80 T 7.99 3.66 4.42 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 1.16 0.00 0.00 81 Q 7.62 3.90 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 82 L 7.77 3.87 0.00 1.68 1.54 0.98 0.84 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 83 V 7.59 3.34 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 0.74 0.00 0.00 -0.65 0.00 0.00 84 S 8.13 4.07 0.00 3.94 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 85 S 8.36 4.26 0.00 4.10 4.10 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 86 S 8.02 4.19 0.00 4.24 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 87 L 8.07 4.27 0.00 1.92 1.76 0.96 0.92 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 88 Y 8.05 3.88 0.00 3.20 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 89 E 7.98 4.17 0.00 2.16 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 0.00 2.30 2.35 0.00 90 R 7.52 4.44 0.00 1.70 1.64 0.00 2.93 0.00 0.00 2.85 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.24 0.00 91 R 7.00 3.11 0.00 0.67 1.09 0.00 2.62 0.00 0.00 2.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.50 4.74 0.00 3.00 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 93 G 7.64 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 94 P 0.00 4.04 0.00 1.87 1.80 0.00 3.57 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.80 0.00 95 Y 7.78 4.10 0.00 2.89 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 96 F 9.01 4.74 0.00 3.08 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 97 V 7.90 5.09 2.18 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 0.80 0.00 0.00 1.06 0.00 0.00 98 G 8.60 4.26 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 0.00 99 P 0.00 4.90 0.00 1.96 2.05 0.00 3.70 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 2.09 2.18 0.00 100 V 8.85 4.44 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 1.01 0.00 0.00 0.97 0.00 0.00 101 V 8.61 5.11 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 1.00 0.00 0.00 1.04 0.00 0.00 102 A 9.54 4.79 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 0.00 103 G 7.92 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 0.00 0.00 0.00 0.00 104 I 7.99 4.58 1.91 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 0.98 0.93 0.00 0.00 105 N 8.72 4.96 0.00 2.71 2.73 0.00 0.00 7.19 7.56 0.00 0.00 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.