NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5149 8.1633 120.6190 55.4972 34.2762 173.6726 2 I 4.7816 8.3526 126.5053 59.5242 39.4569 173.1902 3 S 5.4427 10.4604 124.2229 56.7469 67.4855 172.5407 4 L 5.3757 8.6713 122.4062 53.1351 44.4658 175.3575 5 I 5.2646 8.9071 122.8141 59.4206 41.3603 173.8352 6 A 4.9932 8.7952 128.3022 50.8005 23.1209 174.8488 7 A 4.9274 8.7266 121.5071 50.2475 21.3844 175.5846 8 L 4.9965 8.6367 122.6832 53.3816 44.7045 177.1312 9 A 4.9166 8.9251 125.8278 49.8344 21.2937 176.8623 10 V 3.7956 8.2443 111.6072 63.5939 31.9718 177.1864 11 D 4.3778 9.3264 120.6573 55.0137 38.2719 174.7264 12 R 4.0735 8.2983 116.3908 56.5957 28.3478 175.9409 13 V 4.1648 7.4454 118.6961 63.3651 32.3052 175.0986 14 I 5.1044 8.2460 120.1970 58.6098 40.7701 175.3613 15 G 3.6781 8.7892 109.6200 46.9741 0.0000 172.5061 16 M 4.5032 8.6789 118.8563 56.4227 33.8356 175.6694 17 E 4.6288 7.7131 115.7002 57.5906 34.0897 175.2075 18 N 4.4915 7.8538 114.5887 52.4786 39.3688 174.9335 19 A 4.0248 8.1086 123.3033 52.1566 19.1151 177.7666 20 M 3.7641 7.9328 121.5538 54.4823 32.8355 176.0234 21 P 4.4919 0.0000 0.0000 60.5751 29.8895 174.7972 22 W 5.0525 6.9389 117.8963 56.2636 31.3497 174.8586 23 N 4.9582 9.3980 117.7514 52.0256 39.5819 172.8383 24 L 5.3829 7.9825 126.1072 50.9119 42.5628 175.4969 25 P 4.2595 0.0000 0.0000 65.7808 31.5079 178.4673 26 A 4.0314 8.3209 120.4286 54.9201 18.1061 179.0531 27 D 4.5449 7.9005 116.7781 57.3940 41.3058 178.4825 28 L 4.0681 7.8609 118.9265 57.5379 41.6371 179.1078 29 A 4.1077 8.3272 121.1386 54.7311 18.2011 179.5200 30 W 3.8627 8.1523 126.4632 60.4141 30.7226 177.9028 31 F 3.8706 8.5990 120.7968 61.2517 38.8218 177.0591 32 K 3.7581 8.5913 119.5836 59.3686 31.7968 178.5366 33 R 3.7028 8.0347 118.3743 59.3005 30.0166 177.3837 34 N 4.2066 7.1451 112.9096 53.5699 39.0622 175.5351 35 T 4.0555 6.9694 109.5516 61.1571 70.6804 174.3666 36 L 3.9553 7.3421 124.5246 56.4166 42.4410 176.3898 37 D 4.7583 9.0095 124.0953 54.1953 38.9896 173.9179 38 K 4.7253 7.5080 117.5869 53.7669 36.8244 173.8390 39 P 4.7225 0.0000 0.0000 62.5094 33.0765 175.7037 40 V 4.8250 8.7462 116.4533 59.6270 34.8823 174.5537 41 I 5.0000 8.6546 126.5900 59.7581 39.3609 174.7293 42 M 5.1547 8.8046 123.4741 53.8003 35.7280 174.9039 43 G 4.0476 8.5534 107.2202 45.2779 0.0000 174.4882 44 R 4.3417 8.6340 118.0433 59.5177 30.0711 178.2247 45 H 4.3334 8.2406 115.6937 58.5493 28.7728 177.6618 46 T 3.8578 7.9560 117.4454 66.3778 68.4017 175.6691 47 W 4.5755 8.0400 129.7035 61.2241 30.3883 177.9131 48 E 3.6733 7.9885 116.3222 58.9040 28.9374 179.2502 49 S 4.1895 7.8645 114.9829 61.4246 62.9145 176.3968 50 I 3.7727 7.5404 121.6279 63.6486 36.9125 177.6718 51 G 3.4975 7.8441 104.9050 45.3157 0.0000 172.8419 52 R 4.2110 6.6105 113.0493 54.4124 31.4289 172.3875 53 P 4.8784 0.0000 0.0000 62.2796 32.2050 176.5095 54 L 4.2821 9.1932 123.0683 53.8901 42.2318 175.2666 55 P 4.4899 0.0000 0.0000 63.4777 32.1677 176.4971 56 G 3.9387 8.9960 108.5536 46.0127 0.0000 172.9094 57 R 4.9021 7.2983 115.9636 53.8052 34.5745 174.9696 58 K 4.1494 8.2318 122.4794 56.0498 33.3854 175.4509 59 N 4.9278 8.6493 126.0484 52.4121 40.2370 174.1201 60 I 4.5924 8.3595 125.2781 59.4282 40.1717 174.7070 61 I 4.4718 8.1187 128.8332 59.4640 38.6747 174.5571 62 L 5.0135 8.8014 131.2025 54.0065 43.2653 175.2216 63 S 4.5599 8.9365 119.9698 57.9408 66.0483 175.0908 64 S 4.3311 8.7826 117.9768 59.9318 63.2730 174.7160 65 Q 4.4023 7.6997 120.9038 54.6459 30.5296 173.4030 *66 P 5.0205 0.0000 0.0000 60.1584 34.4461 169.1814 67 G 2.0000 7.8781 114.5450 44.8830 0.0000 173.5384 68 T 3.7879 6.5177 115.0161 63.7271 68.9755 174.7604 69 D 5.1454 8.2924 121.8214 52.1707 42.8177 176.8273 70 D 4.6246 8.7514 125.0845 55.7626 39.8958 177.1492 71 R 4.3265 8.6674 117.9139 56.7697 30.2873 176.1023 72 V 4.3975 7.1164 109.2645 59.6727 36.0109 174.9756 73 T 4.2446 8.1774 119.3910 62.3405 69.9281 174.2858 74 W 4.8162 8.6929 127.1856 56.0365 29.7452 176.1041 75 V 4.6174 9.1440 121.3701 60.2106 34.1136 177.5989 76 K 4.7542 8.7626 121.4738 54.1509 33.8766 177.7005 77 S 4.7634 7.5008 107.9055 56.1298 67.4993 174.6355 78 V 3.3373 8.3449 120.2523 66.9232 30.9154 177.6586 79 D 4.3887 7.9422 117.4912 57.4119 40.8784 178.4160 80 E 4.0256 8.3320 119.3580 58.6577 29.3202 178.8570 81 A 3.9958 7.8587 120.5910 55.1364 18.8214 178.9679 82 I 3.8701 8.2898 118.6682 64.9008 37.2311 178.4622 83 A 3.9792 7.9025 120.6178 55.1158 18.0477 179.3976 84 A 3.9487 7.9372 118.0353 55.2640 18.3930 179.0609 85 C 4.2444 7.8829 114.3537 61.2691 28.7486 174.6204 86 G 3.6795 8.3067 107.6954 44.3913 0.0000 172.1217 87 D 4.7576 8.3526 118.4477 52.4035 41.3519 175.9329 88 V 4.5859 7.8054 117.8793 58.7030 35.2991 174.6422 89 P 4.4409 0.0000 0.0000 64.5960 31.6922 176.4966 90 E 4.8220 7.8516 118.6109 55.0045 32.6323 174.0141 91 I 4.3596 8.7224 128.2914 60.0604 39.4389 174.3742 92 M 4.7561 8.5288 127.3208 53.6372 34.2000 175.1057 93 V 4.4926 8.8229 125.0912 61.2806 33.1074 175.6977 94 I 4.9851 8.1818 121.1327 59.8077 38.6546 174.1854 95 G 2.8180 7.8678 108.6654 44.2600 0.0000 172.7497 96 G 4.3559 8.5304 105.0734 44.3437 0.0000 173.9657 97 G 4.0060 8.3523 104.0271 48.0199 0.0000 175.9302 98 R 3.9627 8.0104 120.1176 58.5291 30.3446 179.3715 99 V 3.6558 7.6317 117.2631 66.3294 31.6855 177.3615 100 Y 4.4950 7.7955 116.6272 61.3206 37.4199 178.7297 101 E 3.9978 8.1169 118.4273 59.6830 29.6953 179.2372 102 Q 4.0862 8.0540 116.7961 58.3549 29.0191 177.8948 103 F 4.6002 8.3054 117.7003 58.4053 39.5139 177.7444 104 L 4.1473 8.1197 120.7576 57.9950 41.6884 177.2566 105 P 4.4416 0.0000 0.0000 64.7573 31.3690 177.9518 106 K 4.2533 7.8746 115.6830 56.7723 32.6469 176.9392 107 A 4.6154 7.7421 122.8223 52.0052 19.3805 176.8398 108 Q 4.5742 9.0157 122.7684 56.8398 31.1478 175.3094 109 K 5.4475 8.1656 116.7186 54.7491 37.2637 175.0681 110 L 4.9083 8.4903 122.4871 53.3159 44.8001 175.2876 111 Y 5.0304 9.4235 123.3142 56.6434 39.0820 174.5031 112 L 5.1221 9.0147 124.7723 52.9726 45.4287 175.9512 113 T 4.7161 8.6761 120.0795 62.3660 70.6583 173.3373 114 H 4.8347 9.0719 125.6607 54.4469 30.4694 174.2744 115 I 4.5570 8.6246 125.1721 59.2811 39.5817 175.8317 116 D 5.0389 8.5387 127.2603 53.0990 38.6433 175.3657 117 A 4.7697 7.6560 121.3192 50.1071 23.5182 175.7414 118 E 4.5970 8.9829 121.5892 54.8663 30.1743 175.7643 119 V 4.4951 8.1073 123.0400 60.7151 34.5914 174.5024 120 E 4.3843 8.7054 125.2724 55.6712 30.2648 176.2380 121 G 4.2262 8.1616 110.7126 44.6735 0.0000 172.4545 122 D 4.5550 8.5815 119.9915 56.4880 41.8709 177.5232 123 T 4.4901 7.6362 115.6821 63.2265 69.8908 173.9741 124 H 5.3949 8.6352 121.4964 53.4053 33.1479 172.9762 125 F 4.2504 9.1394 123.4376 58.1746 39.5323 173.4256 126 P 4.2392 0.0000 0.0000 62.6436 31.8784 175.2540 127 D 4.6218 8.5048 120.5163 54.1427 41.8574 175.2918 128 Y 4.8782 7.8879 123.2313 55.3051 41.1454 174.9344 129 E 4.2812 9.0146 123.5461 54.4282 28.7002 175.1872 130 P 4.7574 0.0000 0.0000 65.0408 31.2404 177.6748 131 D 4.6673 8.1178 117.0463 54.9161 40.1802 181.3909 132 D 5.0271 8.2061 116.7265 54.3396 42.3221 175.7542 133 W 5.1156 7.8957 117.4026 55.5972 33.6096 173.4988 134 E 4.4983 9.5069 126.8921 54.9563 30.5127 175.3145 135 S 4.7449 8.8754 124.1164 59.0750 62.7496 174.0710 136 V 4.2729 8.8036 125.3977 63.9213 33.2621 175.7587 137 F 4.8866 7.9817 120.9990 56.9531 42.9884 173.2729 138 S 4.8279 7.5060 119.3792 57.1526 65.4192 172.8690 139 E 4.4820 9.0690 128.1548 54.8964 32.9925 173.5703 140 F 4.9569 8.6890 129.0048 57.2511 41.6566 174.3438 141 H 4.3634 7.2170 119.9544 53.7019 32.8936 172.7910 142 D 4.8168 8.4648 120.7639 52.8592 41.7268 176.2322 143 A 4.4582 8.3529 122.9389 52.7808 19.2054 176.7415 144 D 4.5430 8.5374 116.8878 52.2448 42.2451 175.6417 145 A 3.8796 8.7529 120.6052 55.1253 18.3689 178.5569 146 Q 4.4145 7.6956 112.5933 55.8765 30.5464 175.2792 147 N 5.1223 8.3386 116.4237 50.9720 40.1274 175.5348 148 S 4.1692 8.6837 119.5383 61.2537 63.2123 173.9652 149 H 4.9897 7.6717 114.8525 53.5669 32.9434 173.6507 150 S 4.3197 8.5734 115.7700 59.3908 64.1605 173.0222 151 Y 4.8685 7.2533 118.3757 55.9799 41.6672 173.0549 152 C 4.9727 8.6309 122.5338 57.5405 33.9536 172.7717 153 F 4.8883 8.4062 126.4508 57.3227 39.8253 175.1141 154 K 5.7220 9.3700 122.2139 54.2065 36.8679 175.1528 155 I 4.9444 8.7787 124.4632 59.5087 40.3570 174.3106 156 L 5.3359 8.8537 126.7658 52.9387 45.2758 175.2241 157 E 5.2440 9.0478 122.6468 54.3940 32.4547 175.2572 158 R 3.5108 8.7731 125.8588 55.8293 30.4826 176.4194 159 R 4.2154 7.6175 121.5731 56.2200 29.3312 176.2490 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 8.16 4.51 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.65 0.00 2 I 8.35 4.78 2.02 0.00 0.00 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 1.44 1.02 1.08 0.00 0.00 3 S 10.46 5.44 0.00 3.83 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.67 5.38 0.00 1.78 1.70 1.11 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.91 5.26 1.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.68 0.91 0.00 0.00 6 A 8.80 4.99 0.68 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 7 A 8.73 4.93 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 8 L 8.64 5.00 0.00 1.52 1.59 0.72 0.24 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 9 A 8.93 4.92 1.62 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 0.00 0.00 10 V 8.24 3.80 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 1.05 0.00 0.00 11 D 9.33 4.38 0.00 2.92 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 12 R 8.30 4.07 0.00 2.29 2.30 0.00 3.35 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 13 V 7.45 4.16 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 1.05 0.00 0.00 1.03 0.00 0.00 14 I 8.25 5.10 2.10 0.00 0.00 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 1.33 1.00 1.27 0.00 0.00 15 G 8.79 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 M 8.68 4.50 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 17 E 7.71 4.63 0.00 1.83 1.81 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 2.18 2.35 0.00 18 N 7.85 4.49 0.00 2.69 2.67 0.00 0.00 6.86 7.35 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 19 A 8.11 4.02 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 20 M 7.93 3.76 0.00 0.51 0.93 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 2.20 2.17 0.00 21 P 0.00 4.49 0.00 2.15 1.99 0.00 3.36 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 22 W 6.94 5.05 0.00 3.32 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 23 N 9.40 4.96 0.00 2.81 2.76 0.00 0.00 7.33 7.50 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 24 L 7.98 5.38 0.00 1.50 1.11 0.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.26 0.00 2.26 2.32 0.00 3.96 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 26 A 8.32 4.03 1.27 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 0.00 0.00 0.00 27 D 7.90 4.54 0.00 2.57 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 28 L 7.86 4.07 0.00 1.88 1.74 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.33 4.11 1.46 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 0.00 0.00 30 W 8.15 3.86 0.00 2.82 3.11 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 31 F 8.60 3.87 0.00 3.39 3.30 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 32 K 8.59 3.76 0.00 2.00 1.92 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 33 R 8.03 3.70 0.00 1.76 1.88 0.00 3.05 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 34 N 7.15 4.21 0.00 1.89 1.78 0.00 0.00 6.89 8.89 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 35 T 6.97 4.06 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 0.35 0.00 0.00 36 L 7.34 3.96 0.00 1.67 1.48 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.01 4.76 0.00 2.80 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 38 K 7.51 4.73 0.00 1.57 1.53 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.40 7.81 39 P 0.00 4.72 0.00 2.00 1.89 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 40 V 8.75 4.82 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 0.71 0.00 0.00 0.99 0.00 0.00 41 I 8.65 5.00 1.51 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 0.82 0.00 0.00 42 M 8.80 5.15 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 43 G 8.55 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 44 R 8.63 4.34 0.00 2.07 1.96 0.00 3.43 0.00 0.00 3.73 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 45 H 8.24 4.33 0.00 3.33 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.96 3.86 4.45 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 1.24 0.00 0.00 47 W 8.04 4.58 0.00 3.35 3.27 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 0.00 48 E 7.99 3.67 0.00 1.95 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 2.57 2.50 0.00 49 S 7.86 4.19 0.00 3.96 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.54 3.77 1.76 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.90 0.00 0.00 51 G 7.84 3.50 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 0.00 52 R 6.61 4.21 0.00 1.85 1.78 0.00 3.01 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.00 53 P 0.00 4.88 0.00 2.15 2.14 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.36 0.00 54 L 9.19 4.28 0.00 1.76 1.66 1.16 1.26 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 55 P 0.00 4.49 0.00 2.04 1.98 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 56 G 9.00 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 57 R 7.30 4.90 0.00 1.90 1.72 0.00 3.06 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 58 K 8.23 4.15 0.00 1.84 1.63 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.36 7.81 59 N 8.65 4.93 0.00 2.56 2.56 0.00 0.00 6.90 7.36 0.00 0.00 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 I 8.36 4.59 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.79 0.84 0.00 0.00 61 I 8.12 4.47 0.59 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.73 0.00 0.00 62 L 8.80 5.01 0.00 1.74 1.60 1.11 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.94 4.56 0.00 4.07 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.78 4.33 0.00 3.92 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 65 Q 7.70 4.40 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 *66 P 0.00 5.02 0.00 2.03 1.76 0.00 3.78 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 1.82 1.54 0.00 67 G 7.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.52 3.79 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 69 D 8.29 5.15 0.00 3.00 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 70 D 8.75 4.62 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 79 D 7.94 4.39 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.33 4.03 0.00 2.20 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 2.32 2.34 0.00 81 A 7.86 4.00 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 0.00 0.00 82 I 8.29 3.87 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.66 0.97 0.00 0.00 83 A 7.90 3.98 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 84 A 7.94 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 85 C 7.88 4.24 0.00 3.23 2.98 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 86 G 8.31 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.35 4.76 0.00 2.59 2.58 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 88 V 7.81 4.59 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 0.83 0.00 0.00 0.95 0.00 0.00 89 P 0.00 4.44 0.00 2.03 2.09 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 90 E 7.85 4.82 0.00 1.92 1.73 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 2.17 2.38 0.00 91 I 8.72 4.36 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 1.21 0.79 0.82 0.00 0.00 92 M 8.53 4.76 0.00 1.73 1.91 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 93 V 8.82 4.49 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 0.94 0.00 0.00 0.18 0.00 0.00 94 I 8.18 4.99 2.23 0.00 0.00 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 1.29 1.29 0.98 0.00 0.00 95 G 7.87 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 0.00 0.00 0.00 96 G 8.53 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 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 98 R 8.01 3.96 0.00 1.85 2.03 0.00 3.32 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 99 V 7.63 3.66 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 1.09 0.00 0.00 0.99 0.00 0.00 100 Y 7.80 4.50 0.00 3.02 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 0.00 101 E 8.12 4.00 0.00 2.16 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 2.35 2.36 0.00 102 Q 8.05 4.09 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 103 F 8.31 4.60 0.00 3.18 3.11 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 0.00 104 L 8.12 4.15 0.00 2.02 1.79 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.44 0.00 2.11 2.16 0.00 3.85 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 2.04 2.21 0.00 106 K 7.87 4.25 0.00 2.10 2.00 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.46 7.81 107 A 7.74 4.62 1.56 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 0.00 108 Q 9.02 4.57 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 109 K 8.17 5.45 0.00 1.79 1.65 0.00 1.23 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.49 7.81 110 L 8.49 4.91 0.00 1.07 1.08 -0.38 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 9.42 5.03 0.00 2.84 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 0.00 112 L 9.01 5.12 0.00 1.39 1.14 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.68 4.72 4.18 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 0.99 0.00 0.00 114 H 9.07 4.83 0.00 3.02 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.62 4.56 1.42 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.83 0.39 0.00 0.00 116 D 8.54 5.04 0.00 2.59 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 0.00 117 A 7.66 4.77 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.98 4.60 0.00 2.01 1.96 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 2.28 2.32 0.00 119 V 8.11 4.50 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.05 0.00 0.00 120 E 8.71 4.38 0.00 2.00 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 2.30 2.30 0.00 121 G 8.16 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 0.00 122 D 8.58 4.55 0.00 2.69 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 0.00 123 T 7.64 4.49 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 1.28 0.00 0.00 124 H 8.64 5.39 0.00 3.08 3.37 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.14 4.25 0.00 3.13 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 0.00 126 P 0.00 4.24 0.00 1.96 1.92 0.00 2.40 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.81 0.00 127 D 8.50 4.62 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.89 4.88 0.00 3.17 2.98 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 0.00 129 E 9.01 4.28 0.00 2.27 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 2.36 1.86 0.00 130 P 0.00 4.76 0.00 2.32 2.51 0.00 3.68 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 131 D 8.12 4.67 0.00 2.72 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 0.00 0.00 0.00 0.00 132 D 8.21 5.03 0.00 2.98 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 0.00 133 W 7.90 5.12 0.00 3.44 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 0.00 134 E 9.51 4.50 0.00 2.06 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 2.31 2.33 0.00 135 S 8.88 4.74 0.00 3.84 3.86 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 0.00 0.00 0.00 136 V 8.80 4.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.09 0.00 0.00 137 F 7.98 4.89 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 0.00 138 S 7.51 4.83 0.00 3.80 3.54 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 0.00 139 E 9.07 4.48 0.00 1.63 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 0.00 2.13 2.24 0.00 140 F 8.69 4.96 0.00 2.85 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 0.00 141 H 7.22 4.36 0.00 1.40 2.31 0.00 5.66 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 0.00 142 D 8.46 4.82 0.00 2.48 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.35 4.46 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.54 4.54 0.00 2.91 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 0.00 145 A 8.75 3.88 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 0.00 146 Q 7.70 4.41 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 147 N 8.34 5.12 0.00 2.95 2.75 0.00 0.00 6.57 6.75 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 0.00 148 S 8.68 4.17 0.00 4.00 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 0.00 149 H 7.67 4.99 0.00 2.90 3.16 0.00 5.90 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.57 4.32 0.00 3.89 3.54 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 0.00 151 Y 7.25 4.87 0.00 2.56 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 C 8.63 4.97 0.00 3.10 2.84 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 0.00 153 F 8.41 4.89 0.00 2.89 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 0.00 0.00 0.00 154 K 9.37 5.72 0.00 1.70 1.71 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.32 7.81 155 I 8.78 4.94 1.98 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.10 0.57 0.00 0.00 156 L 8.85 5.34 0.00 1.44 1.66 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 157 E 9.05 5.24 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 2.28 2.28 0.00 158 R 8.77 3.51 0.00 1.16 1.51 0.00 3.19 0.00 0.00 3.02 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 159 R 7.62 4.22 0.00 2.08 1.83 0.00 3.26 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 * Residues marked with a * may have inaccurate shift predictions.