NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.3309 8.3293 119.6872 54.0782 30.8376 175.2306 7 E 4.8571 7.3250 113.3160 53.3878 30.9890 173.7999 8 P 4.4078 0.0000 0.0000 61.9998 33.2768 177.1109 9 K 3.9336 8.5324 122.1681 56.4980 32.4401 177.2299 10 V 4.1989 8.0840 126.5145 61.0638 32.3085 175.6701 11 V 3.7570 8.1967 126.3619 65.5061 31.3732 177.5903 12 G 3.6899 8.1263 104.3076 47.1033 0.0000 174.9105 13 V 3.9852 7.5279 119.6057 65.0885 32.0487 177.5235 14 E 4.1361 8.0751 118.7284 59.4638 29.1083 179.4096 15 I 3.7734 7.5386 111.8364 63.7603 37.8319 178.1374 16 L 4.1308 7.8007 120.4684 57.7698 41.6931 178.8901 17 E 3.9966 8.1802 118.5233 59.4000 29.1319 179.5718 18 K 4.0127 7.9352 117.6602 59.3933 32.1716 178.8736 19 S 4.3778 7.7543 113.4238 59.0704 62.8609 175.1582 20 G 3.8515 7.8067 109.8463 45.4013 0.0000 173.1087 21 L 3.9993 7.6177 121.2548 54.2685 42.7695 176.6834 22 D 4.5572 8.5568 125.3533 53.7723 41.3597 176.6403 23 I 3.8010 8.1550 129.4088 63.9483 37.3706 178.0935 24 K 3.8984 7.9747 120.1515 59.4394 32.1664 178.6397 25 K 3.9485 8.0649 120.0395 59.1359 32.0151 178.5461 26 L 3.8990 8.0293 120.6862 58.2678 42.0200 178.9638 27 V 3.5468 8.1323 118.5514 66.0766 31.4347 177.3101 28 D 4.2807 8.0082 117.5116 57.4590 41.0825 178.5318 29 K 3.9288 7.9359 118.6118 59.3315 31.9286 179.3255 30 L 4.0084 8.2494 119.6860 57.7699 41.4727 179.7768 31 V 3.5872 8.0138 118.3219 66.0483 31.4173 178.2971 32 K 4.0458 7.9741 117.8603 59.2533 31.2957 179.3406 33 A 3.5817 7.8964 121.1176 55.3774 18.0412 179.9246 34 T 4.2927 8.4060 114.4410 66.6433 68.5051 176.9314 35 A 4.1592 8.5864 123.1630 55.1581 18.4076 179.5517 36 A 4.1839 7.9448 120.1292 54.6690 18.5531 179.5670 37 E 4.1082 8.1162 116.4974 59.3926 29.4092 179.3078 38 F 3.8291 8.2560 121.2864 61.3646 38.9337 177.4790 39 T 3.8503 8.1187 109.5170 64.8281 68.5750 176.5611 40 T 3.7267 8.0138 118.6702 66.7277 68.2604 175.4430 41 Y 4.1757 7.3639 119.1853 61.0406 38.8117 177.6211 42 Y 3.6529 7.3483 120.0842 60.9078 38.9893 177.4391 43 Y 4.1596 8.3783 117.9310 61.2767 37.9847 178.1776 44 Y 4.2179 8.9760 118.0574 60.9800 37.6353 178.4687 45 T 3.7455 7.3066 116.1359 66.8337 68.6452 176.2016 46 I 3.7176 7.2777 119.4025 64.2627 37.2438 178.0521 47 L 4.0955 7.6850 118.7692 57.4862 41.8867 180.8871 48 R 4.0270 8.2701 118.7626 56.5458 29.8795 177.2901 *50 H 4.4365 8.0713 112.1847 54.7215 30.6824 174.7695 51 L 4.3812 7.5304 121.3357 53.7877 39.6055 175.5871 52 T 4.5947 7.7978 113.1185 60.4063 73.3236 177.6966 53 G 3.8833 8.1632 113.8537 46.9805 0.0000 174.9970 *55 E 4.2998 9.2790 120.8042 56.0532 31.0416 177.4275 56 G 3.8587 7.6679 103.3613 45.4054 0.0000 175.1454 57 E 4.0174 7.8046 121.1879 59.5347 29.5337 179.0771 58 G 3.6337 7.9744 103.1271 47.2491 0.0000 174.9948 59 L 4.2367 7.7108 120.8228 56.9606 41.5650 179.2454 60 K 3.9238 7.7193 118.9928 59.5798 32.0756 179.0194 61 E 3.9776 8.1080 116.9801 59.1437 29.7420 179.1043 62 I 3.4633 7.6523 120.4665 64.1679 37.3122 177.9901 63 A 4.3640 8.1669 121.6819 54.9242 18.1173 179.4062 64 E 3.9478 8.4601 118.2868 59.6163 29.8019 178.6080 65 D 4.4447 8.2539 118.7094 57.4845 40.8429 178.7849 66 A 3.9421 8.2804 120.6689 55.0880 18.4387 179.5346 67 R 3.9855 8.3785 117.1808 59.8931 30.1582 178.8224 68 L 4.0797 8.2446 118.7103 57.8505 41.5877 179.4305 69 E 3.9969 8.4106 118.6679 59.4521 29.4605 179.1246 70 D 4.3438 8.4530 119.2008 57.0934 40.9113 178.7454 71 R 3.8799 8.0363 119.5453 59.2947 29.9435 178.5635 72 L 4.1039 7.8009 118.5857 57.7468 41.3520 179.0568 73 H 4.1790 7.8739 115.8973 58.6290 28.6506 177.1880 74 F 4.4726 8.0996 121.4818 61.4906 39.2497 176.7258 75 E 3.9094 8.2301 118.0052 59.1252 28.7654 178.7609 76 L 4.0947 7.8711 116.6047 56.7686 41.5973 178.2264 *78 T 4.0541 7.6967 115.1106 63.9613 70.5975 175.6516 79 Q 3.9903 7.6207 120.4217 59.4553 28.8978 178.7125 80 R 4.0681 7.5641 119.1321 59.4591 30.0518 178.3157 81 I 3.6510 7.8230 119.1777 64.8447 37.0998 177.8165 82 Y 4.1912 7.8093 118.7164 60.2898 37.5000 177.8969 83 E 4.0812 8.1087 118.8942 59.1299 29.6347 178.4498 84 L 4.4176 7.7661 116.2863 54.5112 41.8849 177.6120 85 G 3.8235 8.0099 107.4604 45.5861 0.0000 173.9847 86 G 3.8812 7.8505 110.2698 44.3047 0.0000 173.0736 87 G 3.2440 7.5150 105.9064 43.9285 0.0000 173.0081 88 L 4.2500 8.0966 120.1747 53.2328 42.3270 175.8624 89 P 4.3376 0.0000 0.0000 62.6945 31.8876 176.8455 90 R 3.9833 8.7885 122.2966 58.6525 30.3714 176.6826 91 D 4.9339 7.8854 116.4021 52.3231 44.2996 176.9400 92 I 3.6826 8.1912 125.2793 64.0223 38.1579 178.4613 93 R 3.9818 9.0217 119.6786 58.9351 29.7676 178.7194 94 Q 3.9559 8.0527 117.5287 58.9761 28.5723 178.3162 95 L 3.8945 7.4021 119.3130 58.3731 41.9091 178.6062 96 A 4.2057 7.8466 119.8145 55.4370 18.1156 179.4225 97 D 4.4350 7.8945 116.3528 57.0799 41.0387 178.1694 98 I 4.0603 7.7365 110.7551 60.2064 38.4013 176.0617 99 S 4.2030 7.1502 114.4708 58.8195 62.6203 174.2883 100 A 4.0666 8.7619 130.3069 54.3826 18.3892 177.4471 101 C 4.8549 7.3104 112.2592 57.4405 30.8352 173.9640 102 S 4.1560 8.3513 116.7537 58.0202 62.6089 173.8210 103 D 3.8582 8.2520 126.0306 54.5021 41.0895 177.7187 104 A 4.1269 7.2968 129.4032 51.0155 17.1018 176.4585 105 Y 4.2717 6.8373 119.1240 56.4807 39.2069 176.3554 106 L 3.9596 8.4739 125.1756 54.5205 42.5195 175.3540 107 P 4.6033 0.0000 0.0000 62.1887 32.4209 176.2699 108 E 4.0440 8.7968 119.4797 59.3572 30.2696 177.3440 109 N 4.6033 7.8123 118.4230 52.1878 37.9139 175.7914 110 W 4.3362 7.6614 116.2841 59.1689 29.0707 178.3262 111 K 3.5645 6.9502 117.6083 58.3960 31.7455 176.2017 112 D 4.5267 7.7343 119.6743 52.4465 40.8637 175.0462 113 P 4.3937 0.0000 0.0000 65.6884 31.2592 178.4009 114 K 3.8933 8.1152 118.1548 59.2995 31.5438 178.9951 115 E 3.9761 8.1735 119.0935 59.3801 29.3492 179.4363 116 I 3.6984 7.6669 119.3308 64.3660 37.2451 178.2044 117 L 3.7400 8.0420 119.9531 57.6864 41.4037 179.7599 118 K 3.9387 8.0486 118.3414 59.4548 31.9975 179.5716 119 V 3.5479 7.4152 118.1801 65.8180 31.4597 178.0383 120 L 3.5352 7.6519 118.7477 57.4919 41.2380 179.1941 121 L 4.1205 7.9666 120.5371 58.4304 42.0647 178.9449 122 E 3.9895 8.3778 118.2263 59.1777 29.3500 179.2451 123 A 4.0397 8.0566 120.8998 55.3117 18.4742 179.5570 124 E 4.1294 8.5126 117.1294 59.7556 29.6908 179.6409 125 Q 4.0379 8.4624 118.2790 59.0493 28.6766 178.4072 126 C 4.1088 8.2004 119.5202 62.4420 31.5384 175.4739 127 A 3.9856 8.1877 122.3799 55.0776 17.9461 179.6607 128 I 3.7308 8.0822 118.4169 64.7731 37.3916 178.7881 129 R 3.9508 7.8569 118.3569 59.5286 29.5994 179.3246 130 T 3.6780 8.0279 115.5186 66.5839 68.5126 176.9026 131 W 4.3694 8.2384 120.7594 59.2428 29.0565 178.6780 132 K 4.0295 8.3531 120.1340 59.2966 31.3693 178.4318 133 E 3.9328 7.8907 118.5428 59.2841 29.6523 178.6076 134 V 3.8023 7.3265 116.8596 66.2803 31.9089 177.3886 135 C 4.5791 8.3567 116.4200 62.9374 27.7049 176.2763 136 D 4.4324 7.8766 116.2234 55.3438 40.0726 177.5217 *138 T 4.3105 7.9004 111.4444 61.2650 70.6993 172.8067 139 Y 3.7686 8.0210 123.6638 59.2050 38.7307 175.9519 140 G 3.4939 8.7450 114.6500 45.8738 0.0000 173.3240 141 K 4.4410 7.8376 116.7885 57.0699 37.2199 176.2562 142 D 4.7474 8.2206 120.1110 50.5361 41.6075 173.6026 143 P 4.3165 0.0000 0.0000 65.1184 31.6667 177.8222 144 R 3.8864 7.9301 116.7699 59.9282 30.1231 178.5567 145 T 3.9226 8.1818 115.4989 66.6351 68.4099 176.0576 146 Y 4.1055 8.2458 122.8864 60.1692 38.8772 177.6434 147 D 4.2415 8.2886 118.8567 57.3313 41.3567 178.2966 148 L 3.8266 7.7805 118.8212 57.7088 41.5710 179.3192 149 A 3.6324 8.0487 120.9477 54.9817 18.2543 179.3739 150 Q 3.6077 8.1704 118.2936 59.2543 28.8970 178.7903 151 R 3.7665 7.7667 118.9020 59.2076 30.1129 179.1107 152 I 3.0933 7.2412 119.3233 64.0713 36.9240 177.9446 153 L 3.8729 7.6334 121.3862 58.4297 41.6502 178.7031 154 Q 3.8545 8.0129 119.1756 59.4669 28.8608 178.3919 155 E 4.0821 7.7004 120.5972 58.4228 29.3946 179.0975 156 E 3.8330 7.9946 118.9327 59.1836 29.4821 179.2570 157 I 3.6328 7.8114 120.0283 64.3710 37.1251 178.3284 158 E 3.6564 7.5980 119.3774 59.5182 29.2287 179.0354 159 H 2.9727 7.6010 116.4374 58.3922 28.6665 177.3772 160 E 4.0584 8.3243 121.0553 59.4012 29.5551 178.6663 161 A 4.0564 7.8558 120.6831 54.8995 18.2079 179.6788 162 W 4.2434 7.7688 117.3814 60.2177 29.0663 178.8305 163 F 4.6671 7.8149 117.1020 60.3605 38.3503 177.9319 164 L 4.3112 8.6217 119.4362 57.8897 41.1854 179.1254 165 E 4.5626 8.0817 119.7070 58.4658 29.6004 178.7168 166 L 4.2044 7.5660 118.5160 57.6428 41.9963 178.9874 167 L 3.9535 8.0666 117.5222 57.0240 41.8456 176.8784 168 Y 4.6889 7.5445 113.7381 56.3025 40.3135 175.1619 169 G 4.0315 8.5030 107.0837 46.0023 0.0000 173.8652 170 R 4.2893 8.0692 121.6509 53.7847 30.3489 173.8341 171 P 4.6406 0.0000 0.0000 63.2321 31.5189 174.4929 172 S 4.8226 7.9859 113.0461 58.5733 69.8670 177.0850 173 G 4.0911 7.8778 115.1967 44.0194 0.0000 171.8494 174 H 4.2801 8.8514 124.7890 56.2576 30.0069 172.6508 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 6 Q 8.33 4.33 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 7 E 7.33 4.86 0.00 2.13 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 2.02 2.36 0.00 8 P 0.00 4.41 0.00 2.20 2.09 0.00 3.77 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 1.99 1.95 0.00 9 K 8.53 3.93 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.58 7.81 10 V 8.08 4.20 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 1.02 0.00 0.00 0.98 0.00 0.00 11 V 8.20 3.76 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 0.99 0.00 0.00 0.93 0.00 0.00 12 G 8.13 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 0.00 0.00 0.00 13 V 7.53 3.99 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 0.93 0.00 0.00 14 E 8.08 4.14 0.00 2.22 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 2.33 2.51 0.00 15 I 7.54 3.77 1.86 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 1.74 0.52 0.93 0.00 0.00 16 L 7.80 4.13 0.00 1.98 1.75 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.18 4.00 0.00 2.18 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 2.33 2.55 0.00 18 K 7.94 4.01 0.00 1.88 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 19 S 7.75 4.38 0.00 3.92 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 20 G 7.81 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 0.00 0.00 0.00 21 L 7.62 4.00 0.00 1.60 1.73 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.56 4.56 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.16 3.80 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 1.53 0.61 0.90 0.00 0.00 24 K 7.97 3.90 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 25 K 8.06 3.95 0.00 1.80 1.93 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 26 L 8.03 3.90 0.00 1.89 1.82 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.13 3.55 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 0.95 0.00 0.00 0.91 0.00 0.00 28 D 8.01 4.28 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.94 3.93 0.00 1.98 1.77 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.60 7.81 30 L 8.25 4.01 0.00 1.99 1.75 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.01 3.59 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 1.11 0.00 0.00 0.93 0.00 0.00 32 K 7.97 4.05 0.00 1.78 1.82 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.55 7.81 33 A 7.90 3.58 0.25 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 34 T 8.41 4.29 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 1.44 0.00 0.00 35 A 8.59 4.16 1.48 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 0.00 0.00 0.00 36 A 7.94 4.18 1.40 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 37 E 8.12 4.11 0.00 2.59 2.49 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 2.99 2.92 0.00 38 F 8.26 3.83 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 39 T 8.12 3.85 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 1.41 0.00 0.00 40 T 8.01 3.73 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 0.22 0.00 0.00 41 Y 7.36 4.18 0.00 2.69 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 42 Y 7.35 3.65 0.00 2.59 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.38 4.16 0.00 3.17 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 44 Y 8.98 4.22 0.00 3.05 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 45 T 7.31 3.75 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 1.01 0.00 0.00 46 I 7.28 3.72 1.88 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.02 0.77 0.00 0.00 47 L 7.69 4.10 0.00 1.61 1.57 0.72 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.27 4.03 0.00 1.95 2.01 0.00 3.14 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 *50 H 8.07 4.44 0.00 2.96 3.00 0.00 5.75 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 51 L 7.53 4.38 0.00 1.83 1.84 0.92 0.61 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 52 T 7.80 4.59 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 1.28 0.00 0.00 53 G 8.16 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 0.00 0.00 0.00 *55 E 9.28 4.30 0.00 2.00 2.06 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 2.20 2.31 0.00 56 G 7.67 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 0.00 0.00 0.00 57 E 7.80 4.02 0.00 2.31 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 2.31 2.38 0.00 58 G 7.97 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0.00 0.00 0.00 2.32 2.32 0.00 134 V 7.33 3.80 2.48 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 1.08 0.00 0.00 0.95 0.00 0.00 135 C 8.36 4.58 0.00 3.30 3.20 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 0.00 136 D 7.88 4.43 0.00 2.89 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 *138 T 7.90 4.31 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 139 Y 8.02 3.77 0.00 2.98 3.17 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 0.00 140 G 8.75 3.49 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 0.00 0.00 0.00 0.00 141 K 7.84 4.44 0.00 1.67 1.76 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.49 7.81 142 D 8.22 4.75 0.00 2.64 2.55 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 0.00 143 P 0.00 4.32 0.00 2.21 2.11 0.00 3.66 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 2.11 2.12 0.00 144 R 7.93 3.89 0.00 1.94 1.94 0.00 3.24 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 145 T 8.18 3.92 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 1.29 0.00 0.00 146 Y 8.25 4.11 0.00 3.21 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 0.00 147 D 8.29 4.24 0.00 3.03 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 0.00 148 L 7.78 3.83 0.00 1.69 1.56 0.89 0.53 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 0.00 149 A 8.05 3.63 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.17 3.61 0.00 1.24 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 151 R 7.77 3.77 0.00 1.97 1.81 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 152 I 7.24 3.09 0.87 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.49 -0.51 0.00 0.00 153 L 7.63 3.87 0.00 1.85 1.74 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.01 3.85 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 155 E 7.70 4.08 0.00 2.00 1.78 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 2.43 2.25 0.00 156 E 7.99 3.83 0.00 2.09 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 2.39 2.72 0.00 157 I 7.81 3.63 1.96 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 1.49 0.70 0.86 0.00 0.00 158 E 7.60 3.66 0.00 1.67 1.45 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 2.26 2.38 0.00 159 H 7.60 2.97 0.00 3.25 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.32 4.06 0.00 2.15 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 2.41 2.43 0.00 161 A 7.86 4.06 1.40 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 0.00 162 W 7.77 4.24 0.00 2.88 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 0.00 163 F 7.81 4.67 0.00 3.19 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 0.00 164 L 8.62 4.31 0.00 1.94 1.87 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.08 4.56 0.00 2.26 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 0.00 2.37 2.36 0.00 166 L 7.57 4.20 0.00 1.87 1.77 1.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.07 3.95 0.00 1.70 0.80 0.87 0.87 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 0.00 168 Y 7.54 4.69 0.00 3.14 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 0.00 169 G 8.50 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 0.00 170 R 8.07 4.29 0.00 1.92 1.93 0.00 3.17 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 171 P 0.00 4.64 0.00 2.24 2.07 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 172 S 7.99 4.82 0.00 4.06 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 0.00 173 G 7.88 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 0.00 0.00 0.00 174 H 8.85 4.28 0.00 3.08 3.06 0.00 5.77 0.00 0.00 0.00 0.00 6.91 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.