NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5666 8.3149 120.0857 56.3676 33.6453 174.6845 6 I 4.4809 9.1977 125.2187 58.5965 41.3368 169.0538 7 V 4.8749 9.0972 125.7686 61.3441 34.1257 173.8740 8 L 5.1677 8.6573 127.6189 53.0318 44.4457 175.7056 9 K 4.6314 8.7199 124.9607 55.0521 33.6049 176.9516 10 S 4.6978 8.4596 119.8701 57.3827 64.2229 174.2513 11 S 4.6643 8.5213 113.8384 58.4730 61.5050 174.0462 12 D 4.5622 7.9394 117.6641 52.3078 39.1739 174.5412 13 G 3.8709 8.4214 111.2639 47.7359 0.0000 173.5912 14 E 4.8668 8.0687 122.0058 54.5778 32.4058 174.2225 15 S 4.3846 8.4801 118.1671 59.1944 64.4283 173.7482 16 F 4.5889 8.8168 121.4813 55.5271 42.2439 173.9253 17 E 4.3934 8.9690 126.0078 55.9281 29.7881 175.9862 18 V 4.6942 8.6978 119.9616 59.3385 36.4594 175.7069 19 E 4.3687 8.6744 122.1086 55.8065 30.0315 176.9019 20 E 3.8337 8.5355 119.2479 60.3550 29.1917 178.8211 21 A 4.1610 7.7296 121.1522 54.4272 18.7265 179.3306 22 V 3.6540 7.6888 116.8389 65.9668 31.8049 177.6882 23 A 4.1175 7.8895 119.5014 54.1011 18.0715 178.5788 24 L 4.3623 7.1566 114.3875 55.6167 42.0055 177.8054 25 E 3.9407 7.7305 119.0036 58.8680 29.7398 176.9955 26 S 4.3859 7.6969 113.0662 57.1540 61.8154 174.4273 27 Q 4.2540 8.6336 126.9544 57.8073 28.6588 178.5742 28 T 4.0856 7.5947 114.8079 65.7594 68.9485 176.7965 29 I 3.9717 7.4718 121.0448 63.0966 37.2042 178.0976 30 A 4.0395 8.1399 122.4146 55.4798 18.0777 179.1590 31 H 4.6239 7.6281 109.5974 56.6844 28.3374 175.6381 32 M 4.8287 7.6594 117.7752 55.3983 32.8716 176.5630 33 V 4.2911 7.9356 109.0220 61.6116 31.3505 176.5372 34 E 4.2734 7.3820 119.7690 58.3928 30.4014 177.5681 35 D 4.6459 7.7721 119.3638 53.3848 38.8795 174.9541 36 D 4.9180 7.8569 121.4913 54.4613 38.8798 176.7625 37 C 4.4573 8.7141 122.5985 60.9033 28.4175 175.9214 38 V 3.7735 7.4624 120.3103 64.9004 31.3993 177.4721 39 D 4.3848 8.2842 118.8079 57.7392 40.6237 177.3555 40 N 4.8054 7.8868 113.3739 52.5774 38.9067 173.1166 41 G 4.0724 8.1390 110.9696 44.7084 0.0000 174.6158 42 V 3.8751 8.2638 122.4082 60.8281 32.4576 173.3050 43 P 4.9405 0.0000 0.0000 61.7930 32.2674 176.0329 44 L 4.8114 8.8313 125.1193 53.0731 41.8909 174.1164 45 P 5.0956 0.0000 0.0000 63.4433 31.6269 176.6410 46 N 4.6945 8.1760 113.0197 53.1365 39.3516 174.0147 47 V 4.2718 7.2259 119.3162 60.5775 33.5075 175.0081 48 T 4.1964 8.4272 121.2669 62.6111 69.0602 174.4775 49 S 4.1466 8.8008 120.8867 61.3118 62.4904 176.1186 50 K 3.9146 8.2320 121.9597 59.7400 31.6692 178.6220 51 I 3.8288 7.5227 119.2270 64.3528 37.3438 177.6631 52 L 3.7962 7.9845 120.9570 58.1336 41.6755 178.7569 53 A 3.9705 7.8281 120.4582 55.4064 18.2673 179.7673 54 K 4.1492 7.7088 115.2942 59.5833 32.0674 179.8797 55 V 3.7330 8.0624 118.7432 66.2282 31.5360 178.2197 56 I 3.7691 7.9352 119.5990 64.2917 36.7390 177.9640 57 E 4.0812 8.3543 120.3151 59.3485 29.5418 178.4095 58 Y 3.9590 7.8091 119.4992 60.9034 38.9502 177.5260 59 C 3.9591 8.1697 117.6813 62.6296 28.0932 175.5552 60 K 3.6890 8.3685 121.4968 60.1305 31.4427 178.6110 61 R 3.5077 7.1979 117.6318 59.4174 29.9153 177.9809 62 H 4.0079 7.4822 115.2570 58.4525 28.8778 177.5195 63 V 3.6890 7.7605 120.1469 65.5382 31.3857 177.2581 64 E 4.2984 7.7327 118.6327 56.7212 28.6261 176.9869 65 A 4.6544 7.8197 118.3070 51.9784 19.6159 178.7870 66 A 4.0997 7.9956 121.8271 56.6131 19.5686 180.8791 67 A 4.4214 7.2998 119.1512 51.6991 17.8767 179.3601 *80 D 4.6520 8.7180 115.0497 56.2789 42.8092 177.2353 81 D 4.3142 8.1355 118.2661 57.2719 41.4192 177.0254 82 D 4.7345 7.9794 116.1262 54.8672 41.7379 178.1935 83 L 4.0575 7.7547 121.0896 57.7318 41.9214 179.1837 84 K 4.1493 8.2101 117.3484 59.3375 31.8542 178.7167 85 A 4.0239 7.5848 118.7088 54.7534 18.3293 179.1977 86 W 4.1910 8.3169 125.5981 60.6344 30.7073 177.8537 87 D 4.5597 9.1466 118.8269 57.6471 40.1672 178.5313 88 A 4.0148 7.8156 119.7027 55.6343 18.2142 179.0025 89 D 4.3187 8.1454 116.0331 57.0182 41.0348 178.0778 90 F 3.9751 8.0540 120.8481 60.5193 39.3881 176.1131 91 M 4.1091 7.3137 116.1287 55.0623 33.5337 177.4192 92 K 4.2854 7.1743 119.0674 56.2246 29.5776 175.1315 93 I 4.5574 6.8542 113.5314 57.7347 41.4876 176.1758 94 D 4.4777 8.0649 120.1597 52.9309 41.3562 176.6320 95 Q 3.4186 8.4196 118.9767 59.2786 28.6396 179.0910 96 A 3.7549 7.6990 120.5531 55.8642 18.2144 179.7869 97 T 3.7489 7.4552 112.9112 66.4827 68.5534 176.5273 98 L 3.8420 7.7556 122.4577 58.4206 41.9941 179.1784 99 F 4.5243 7.9997 117.3930 60.8765 38.7051 177.5833 100 E 4.1045 8.1647 117.3815 58.9288 29.1314 179.5089 101 L 4.0765 7.6776 119.1867 57.5846 41.8379 178.9350 102 I 3.6572 7.6007 119.2402 64.6534 36.9904 178.1077 103 L 3.9484 8.1010 119.2203 58.1672 41.3946 179.8467 104 A 4.0868 7.7784 119.9406 55.1912 18.5337 179.5904 105 A 3.9460 8.5496 119.7052 55.2406 18.1742 179.2605 106 N 4.4044 8.2148 114.7754 56.3565 39.0642 176.3638 107 Y 4.4090 7.5428 120.6431 62.2527 39.5019 175.6526 108 L 4.1743 8.1846 120.9420 54.4771 43.7005 176.1722 109 N 4.9967 8.2653 112.0242 53.2447 38.9710 176.8729 110 I 4.2501 7.8072 121.1645 59.5842 36.6743 176.9921 111 K 3.9913 8.4753 127.1167 59.3035 31.0091 177.8911 112 N 4.4843 8.2353 116.7098 55.3731 36.7102 175.7764 113 L 3.9580 7.9645 121.0965 55.4364 42.2539 177.0949 114 L 4.7125 7.3808 119.9555 56.3367 43.4356 177.3983 115 D 4.5273 7.4832 114.7035 56.1479 40.9857 177.3930 116 L 4.4958 7.6469 120.4198 56.8775 43.2763 178.1187 117 T 3.8387 7.2736 110.0076 65.0812 68.9051 176.1377 118 C 4.1434 7.9863 120.4469 62.5258 28.2703 176.1178 119 Q 4.2622 8.1756 120.0847 59.3921 28.2700 178.5372 120 T 3.9125 7.6455 116.3721 66.4823 68.8340 176.5757 121 V 3.8903 8.0260 119.9710 66.0681 31.6088 177.8816 122 A 4.0763 8.6047 120.8828 55.4065 17.9392 179.3628 123 D 4.3765 7.9724 116.5425 57.5660 40.8938 178.5196 124 M 4.2436 7.8152 118.7979 58.0995 32.1613 178.6312 125 I 4.2588 7.7670 119.5665 63.3066 37.5625 174.9594 126 K 4.0682 7.7388 123.6027 60.7228 31.6339 175.5920 127 G 3.9286 8.7994 113.8244 45.7618 0.0000 173.3355 128 K 4.4476 8.3364 119.5950 56.1307 33.1042 176.7663 129 T 4.5537 7.9502 110.8867 59.7988 72.2599 173.7265 130 P 4.3355 0.0000 0.0000 65.7864 31.1833 178.6198 131 E 3.9115 8.1084 117.4454 59.5083 29.9161 178.2190 132 E 3.9550 7.8959 118.4561 60.2792 29.2750 179.1986 133 I 3.9426 8.1875 119.7427 64.2533 37.5594 178.1505 134 R 4.2350 8.3516 116.2955 58.8882 29.4917 178.6403 135 T 3.9823 8.2210 118.2041 66.7068 68.2441 176.4189 136 T 4.2355 7.7845 110.1449 61.7927 69.7329 175.4286 137 F 4.7136 8.2896 116.4717 57.7698 44.4220 173.8300 138 N 4.1886 8.1630 118.0857 54.1974 36.3304 171.8486 139 I 4.5217 8.6373 118.8743 58.4728 40.3600 175.8993 140 K 3.9867 8.6033 125.3614 56.2553 32.9233 176.1219 141 N 4.3068 8.7774 123.1208 53.8004 38.4022 173.4056 142 D 4.7774 8.1174 125.1061 52.9248 39.8660 176.1659 143 F 4.8289 8.4923 120.2314 57.5451 39.2704 176.4528 144 T 4.0833 8.5315 117.0859 61.5495 70.5077 173.5653 145 P 4.2979 0.0000 0.0000 65.4265 31.3814 179.0219 146 E 3.8973 8.1121 117.3129 59.6576 29.3944 178.3989 147 E 3.8363 7.9033 118.2247 59.6912 29.5298 178.8234 148 E 3.1709 8.2294 118.6323 59.3500 29.5818 179.0392 149 E 3.6891 7.8422 118.7637 59.0792 29.7705 178.0154 150 E 3.7656 8.3225 119.7971 59.4230 29.5523 178.8362 151 V 3.4385 7.7333 118.1649 66.0360 31.6412 177.8335 152 R 3.6907 8.0257 118.5555 59.3722 29.7991 178.5314 153 R 2.9140 8.1369 117.9338 58.9917 30.0447 178.5855 154 E 3.6837 8.3928 118.4229 59.7841 29.3207 179.2827 155 N 4.3561 8.1124 114.9105 55.8442 38.6795 176.4547 156 Q 4.5214 7.6616 116.0587 55.6340 30.2972 176.8804 157 W 4.8405 8.1882 118.7812 57.1572 30.4851 175.9839 158 A 4.2818 7.7244 117.9140 53.0937 20.0900 176.6409 159 F 4.9246 7.5090 119.3852 59.8164 39.2044 175.9143 160 E 4.5533 9.1778 125.6029 56.2555 29.9767 175.6628 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 5 K 8.31 4.57 0.00 1.67 1.83 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.20 4.48 1.89 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 1.12 1.14 0.92 0.00 0.00 7 V 9.10 4.87 2.11 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 1.05 0.00 0.00 0.96 0.00 0.00 8 L 8.66 5.17 0.00 1.72 1.57 0.91 0.37 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 9 K 8.72 4.63 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.43 7.81 10 S 8.46 4.70 0.00 4.03 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 11 S 8.52 4.66 0.00 3.98 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 12 D 7.94 4.56 0.00 2.83 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 13 G 8.42 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 14 E 8.07 4.87 0.00 2.02 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 0.00 2.32 2.49 0.00 15 S 8.48 4.38 0.00 3.72 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 16 F 8.82 4.59 0.00 3.12 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 17 E 8.97 4.39 0.00 1.97 1.90 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 2.30 2.42 0.00 18 V 8.70 4.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.99 0.00 0.00 19 E 8.67 4.37 0.00 2.06 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 2.39 2.36 0.00 20 E 8.54 3.83 0.00 2.06 1.89 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 2.37 2.45 0.00 21 A 7.73 4.16 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 22 V 7.69 3.65 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 1.04 0.00 0.00 0.90 0.00 0.00 23 A 7.89 4.12 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 24 L 7.16 4.36 0.00 1.82 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.73 3.94 0.00 2.05 2.04 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 2.33 2.37 0.00 26 S 7.70 4.39 0.00 3.89 3.88 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 0.00 0.00 0.00 27 Q 8.63 4.25 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 28 T 7.59 4.09 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 1.01 0.00 0.00 29 I 7.47 3.97 2.03 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 1.50 1.11 0.89 0.00 0.00 30 A 8.14 4.04 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 31 H 7.63 4.62 0.00 3.16 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.66 4.83 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 33 V 7.94 4.29 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 0.79 0.00 0.00 1.00 0.00 0.00 34 E 7.38 4.27 0.00 1.96 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 2.26 2.23 0.00 35 D 7.77 4.65 0.00 2.90 2.88 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 0.00 0.00 0.00 36 D 7.86 4.92 0.00 2.92 2.92 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 37 C 8.71 4.46 0.00 2.96 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 38 V 7.46 3.77 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 1.04 0.00 0.00 0.93 0.00 0.00 39 D 8.28 4.38 0.00 2.69 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 40 N 7.89 4.81 0.00 2.68 2.82 0.00 0.00 7.11 8.92 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 41 G 8.14 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 42 V 8.26 3.88 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 0.83 0.00 0.00 0.92 0.00 0.00 43 P 0.00 4.94 0.00 2.11 2.14 0.00 3.46 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 44 L 8.83 4.81 0.00 2.04 1.84 0.99 0.66 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 45 P 0.00 5.10 0.00 2.20 2.20 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 46 N 8.18 4.69 0.00 1.44 2.11 0.00 0.00 6.81 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 47 V 7.23 4.27 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 1.00 0.00 0.00 1.17 0.00 0.00 48 T 8.43 4.20 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 1.27 0.00 0.00 49 S 8.80 4.15 0.00 4.33 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 50 K 8.23 3.91 0.00 1.90 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.58 7.81 51 I 7.52 3.83 2.03 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 1.53 0.74 0.93 0.00 0.00 52 L 7.98 3.80 0.00 1.63 1.58 0.75 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.83 3.97 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 0.00 0.00 0.00 0.00 0.00 54 K 7.71 4.15 0.00 2.09 2.07 0.00 1.60 0.00 0.00 1.40 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.62 1.52 7.81 55 V 8.06 3.73 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 1.09 0.00 0.00 1.04 0.00 0.00 56 I 7.94 3.77 1.91 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.96 0.00 0.00 57 E 8.35 4.08 0.00 2.26 2.42 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 2.79 2.60 0.00 58 Y 7.81 3.96 0.00 2.64 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 59 C 8.17 3.96 0.00 3.03 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 60 K 8.37 3.69 0.00 1.95 1.89 0.00 1.55 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 61 R 7.20 3.51 0.00 0.82 1.17 0.00 2.77 0.00 0.00 2.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 62 H 7.48 4.01 0.00 2.83 3.14 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.76 3.69 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 1.06 0.00 0.00 0.90 0.00 0.00 64 E 7.73 4.30 0.00 1.92 1.82 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 2.25 2.27 0.00 65 A 7.82 4.65 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 66 A 8.00 4.10 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 67 A 7.30 4.42 1.07 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 *80 D 8.72 4.65 0.00 2.75 2.78 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 81 D 8.14 4.31 0.00 2.76 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 82 D 7.98 4.73 0.00 2.75 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 83 L 7.75 4.06 0.00 1.77 1.71 0.70 0.65 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 84 K 8.21 4.15 0.00 1.85 1.94 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.57 7.81 85 A 7.58 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 86 W 8.32 4.19 0.00 3.47 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 87 D 9.15 4.56 0.00 3.08 2.90 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 88 A 7.82 4.01 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 89 D 8.15 4.32 0.00 2.86 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 90 F 8.05 3.98 0.00 2.06 3.04 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 91 M 7.31 4.11 0.00 1.91 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 92 K 7.17 4.29 0.00 1.67 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 93 I 6.85 4.56 1.69 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.62 0.00 0.00 94 D 8.06 4.48 0.00 2.76 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 95 Q 8.42 3.42 0.00 1.80 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 96 A 7.70 3.75 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 97 T 7.46 3.75 4.41 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 1.09 0.00 0.00 98 L 7.76 3.84 0.00 1.58 1.59 0.90 1.08 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 99 F 8.00 4.52 0.00 3.19 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 0.00 100 E 8.16 4.10 0.00 2.14 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 2.50 2.51 0.00 101 L 7.68 4.08 0.00 1.91 1.70 0.81 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.60 3.66 2.08 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 1.55 0.97 0.91 0.00 0.00 103 L 8.10 3.95 0.00 1.86 1.75 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.78 4.09 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 0.00 105 A 8.55 3.95 1.34 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 0.00 106 N 8.21 4.40 0.00 2.84 2.90 0.00 0.00 7.18 7.14 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 0.00 107 Y 7.54 4.41 0.00 2.92 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 0.00 108 L 8.18 4.17 0.00 1.65 1.54 0.93 1.01 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 0.00 109 N 8.27 5.00 0.00 2.59 2.73 0.00 0.00 6.77 7.94 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 0.00 110 I 7.81 4.25 1.91 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 1.21 0.84 1.03 0.00 0.00 111 K 8.48 3.99 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 112 N 8.24 4.48 0.00 3.08 3.14 0.00 0.00 5.87 6.67 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 0.00 113 L 7.96 3.96 0.00 1.72 1.79 0.06 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.38 4.71 0.00 1.95 1.60 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.48 4.53 0.00 2.69 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 0.00 116 L 7.65 4.50 0.00 1.82 1.63 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.27 3.84 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 1.19 0.00 0.00 118 C 7.99 4.14 0.00 3.14 3.04 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 0.00 119 Q 8.18 4.26 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 120 T 7.65 3.91 4.49 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 0.00 0.00 0.00 1.22 0.00 0.00 121 V 8.03 3.89 2.31 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 1.16 0.00 0.00 1.25 0.00 0.00 122 A 8.60 4.08 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 0.00 123 D 7.97 4.38 0.00 2.89 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 0.00 124 M 7.82 4.24 0.00 2.04 2.49 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 125 I 7.77 4.26 2.03 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 1.91 0.87 0.96 0.00 0.00 126 K 7.74 4.07 0.00 1.77 1.87 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.56 7.81 127 G 8.80 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 0.00 128 K 8.34 4.45 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.70 7.81 129 T 7.95 4.55 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 1.28 0.00 0.00 130 P 0.00 4.34 0.00 2.21 2.21 0.00 3.61 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 2.13 2.17 0.00 131 E 8.11 3.91 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 2.39 2.47 0.00 132 E 7.90 3.95 0.00 2.29 2.04 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 2.35 2.40 0.00 133 I 8.19 3.94 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.79 1.05 0.00 0.00 134 R 8.35 4.23 0.00 2.36 2.22 0.00 2.95 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 135 T 8.22 3.98 4.43 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 1.20 0.00 0.00 136 T 7.78 4.24 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 1.23 0.00 0.00 137 F 8.29 4.71 0.00 3.20 3.01 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 0.00 138 N 8.16 4.19 0.00 2.83 2.85 0.00 0.00 6.83 7.94 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 0.00 139 I 8.64 4.52 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.88 0.86 0.00 0.00 140 K 8.60 3.99 0.00 1.84 1.82 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.78 4.31 0.00 2.73 2.82 0.00 0.00 7.11 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 0.00 142 D 8.12 4.78 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 0.00 143 F 8.49 4.83 0.00 3.24 2.90 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 0.00 144 T 8.53 4.08 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 1.37 0.00 0.00 145 P 0.00 4.30 0.00 2.17 2.13 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 146 E 8.11 3.90 0.00 2.05 1.98 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 2.40 2.45 0.00 147 E 7.90 3.84 0.00 2.23 2.03 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 2.38 2.38 0.00 148 E 8.23 3.17 0.00 1.88 1.98 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 2.17 2.07 0.00 149 E 7.84 3.69 0.00 2.24 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 2.14 2.21 0.00 150 E 8.32 3.77 0.00 2.11 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 2.27 2.31 0.00 151 V 7.73 3.44 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 0.91 0.00 0.00 0.72 0.00 0.00 152 R 8.03 3.69 0.00 1.81 1.84 0.00 3.01 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.00 153 R 8.14 2.91 0.00 1.83 1.63 0.00 2.68 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 154 E 8.39 3.68 0.00 2.07 2.03 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 2.26 2.43 0.00 155 N 8.11 4.36 0.00 2.84 2.85 0.00 0.00 7.00 7.67 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 0.00 156 Q 7.66 4.52 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 157 W 8.19 4.84 0.00 3.39 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 0.00 158 A 7.72 4.28 0.50 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 0.00 159 F 7.51 4.92 0.00 3.09 2.93 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 0.00 160 E 9.18 4.55 0.00 2.07 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 2.14 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.