NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.5995 8.3549 109.7251 45.2255 0.0000 172.9019 *2 F 4.6756 8.3729 118.5999 57.7562 38.8669 173.8888 3 T 4.7556 8.3052 114.6452 59.7016 72.4271 172.5283 4 C 4.7258 8.6250 121.2555 57.4168 34.2275 172.2878 5 K 4.5169 8.6222 127.9870 55.1812 32.3115 176.0968 6 V 3.6467 9.0362 129.0535 63.6759 31.6964 176.4671 7 N 4.3138 8.1494 118.3277 52.8678 37.5727 173.7677 8 E 3.5363 8.7961 121.2108 58.7557 29.4941 175.9732 9 H 4.6246 10.2591 113.8381 56.8243 30.9152 175.4173 10 I 4.8255 7.4694 119.8840 59.7102 39.2309 174.9734 11 T 4.9814 8.4533 117.4978 59.8749 71.8047 173.1295 12 I 4.8711 8.2886 124.7577 60.0406 39.7589 174.8253 13 R 4.7710 8.4313 120.4251 54.7175 32.8957 174.4447 14 L 4.2360 8.3540 120.2647 55.1293 42.3474 177.0219 15 L 4.6626 8.3613 120.9595 54.0381 43.1186 176.0946 16 E 4.8335 8.6886 118.7908 54.0453 33.3978 175.7770 17 P 4.2655 0.0000 0.0000 65.7968 31.5350 178.1260 18 K 4.2694 7.9248 113.8311 58.1562 32.9847 177.5710 19 D 4.5715 9.1995 120.8058 55.1756 40.9240 177.7219 20 A 4.0312 8.3738 123.0950 55.4124 18.1819 179.5802 21 E 3.9078 8.0923 116.2906 59.5806 29.6591 179.4848 22 R 3.9029 7.8734 118.2663 59.2695 30.0767 177.8487 23 L 3.9093 8.1928 119.2874 58.2906 42.2326 178.5977 24 A 4.1784 8.0070 120.5671 55.0254 18.0424 179.4531 25 E 4.0042 8.0299 117.1567 58.9938 29.2986 178.3258 26 L 4.4178 7.7822 117.7963 55.7904 42.2543 177.2197 27 I 4.1037 7.6129 118.2475 62.5174 38.7041 177.8929 28 I 3.7719 7.5682 120.4156 64.5916 37.2196 177.9337 29 Q 4.3067 7.5585 113.7218 57.1853 27.9832 177.2594 30 N 4.8557 7.7372 112.3402 53.9781 41.3135 175.0575 31 Q 3.9112 8.3069 125.6690 59.8085 29.2115 178.2463 32 Q 4.3716 7.7939 115.3009 54.3648 29.9699 179.1850 33 R 4.3745 8.5379 113.0897 58.8997 29.2339 178.6464 34 L 4.0277 8.4095 117.0278 56.0381 42.1082 178.5502 35 G 3.8974 8.0150 106.7137 46.3954 0.0000 175.8592 36 K 4.0682 7.7321 118.4562 58.4754 32.2262 177.7668 37 W 4.6541 8.3707 117.0409 56.1105 29.0666 175.7706 38 L 3.7976 8.1182 116.6768 56.0022 38.6087 174.1890 39 F 5.0542 8.2986 119.8576 56.0904 42.7812 176.0611 40 F 3.7011 7.1157 120.7989 59.6165 38.9325 178.8525 *45 S 4.3971 8.6681 114.2300 58.0073 63.8597 173.2429 46 S 4.6540 8.2090 113.6837 57.7747 65.7629 174.5176 47 A 4.2065 8.7757 125.1916 55.0588 17.9961 179.7161 48 D 4.2456 7.9695 116.2748 57.7767 41.5738 178.3480 49 T 3.9632 7.4356 114.6415 66.5142 68.1578 176.4526 50 Y 3.8023 7.8907 118.8750 60.9285 37.8065 177.8124 51 R 3.9353 7.6683 117.7796 59.0909 30.2868 177.4580 52 E 4.5331 8.4828 115.3129 56.5018 30.7533 176.2337 53 T 4.3597 7.3354 113.3045 64.6943 71.5129 176.0816 54 I 3.1468 7.8494 122.1391 64.2654 36.9548 178.7516 55 I 3.6695 7.2215 120.5243 63.7390 37.0447 176.3310 56 P 4.2419 0.0000 0.0000 66.1818 31.1638 178.3300 57 D 4.4316 8.0913 117.0693 57.0211 40.5633 178.9781 58 W 4.5442 8.0040 119.7400 59.9617 28.9528 178.7537 59 R 4.0984 8.7373 118.5550 59.3085 29.4652 179.1440 60 R 3.9862 8.2423 118.6328 59.4096 30.1337 178.5262 61 Q 4.0802 8.6623 118.5271 59.1818 28.7302 178.2208 62 Y 4.3074 8.5961 120.5779 60.5802 38.6288 177.8113 63 A 3.8045 8.1799 121.3506 55.0034 18.6508 178.6175 64 D 4.4777 8.5100 114.4838 54.4980 41.0560 177.2527 65 L 3.7859 7.4566 118.9253 54.9904 39.6675 175.1670 66 N 4.5987 7.8564 118.2108 50.0026 35.8742 174.4516 67 G 3.9855 9.2152 112.6886 45.3451 0.0000 170.0290 68 I 4.7031 8.4233 117.8880 59.7306 41.4126 174.7574 69 E 4.6053 8.9972 126.3989 54.6027 30.3704 174.9684 70 A 4.7094 8.3592 126.1422 49.7253 21.9611 176.2179 71 G 3.7461 8.6801 107.1016 45.6980 0.0000 172.6527 72 L 5.0225 8.6360 121.4210 52.7109 44.5499 175.7895 73 L 4.9920 8.3725 122.0156 53.1857 45.5035 174.6412 74 Y 4.5885 8.4830 125.7420 56.9170 40.6991 175.2982 75 D 4.3532 8.6775 125.5589 55.5958 39.2967 174.6203 76 G 4.1000 8.3480 108.9600 45.1270 0.0000 174.8013 77 S 4.6914 8.2606 114.3143 55.4627 65.4330 173.1611 78 L 4.1366 8.4510 123.7204 56.2905 41.9891 176.4353 79 C 4.4438 9.7453 118.9063 56.7242 31.3414 174.2715 80 G 3.1859 6.8140 109.6588 45.5101 0.0000 173.5036 *82 I 4.2357 7.6582 125.0734 60.7798 39.5158 173.3316 83 S 5.0640 8.8625 120.4867 56.5660 66.4429 172.3166 84 L 5.1028 8.8606 129.1399 53.7641 44.1197 174.5429 85 H 5.2231 8.9862 122.0339 53.3206 32.8452 172.5426 86 N 4.1444 8.6731 112.3703 54.0362 35.8910 174.9298 87 L 4.0273 7.8014 118.7877 55.3105 43.0139 175.3991 88 D 4.7841 9.5587 127.2870 52.2631 42.1021 176.2800 89 Q 3.9045 8.6461 125.9777 59.0465 29.1906 179.0461 90 V 3.5280 8.0198 115.7216 66.3665 31.2666 176.5339 91 N 4.5858 8.4483 113.0122 53.0144 38.7202 175.1631 92 R 3.8544 8.5180 117.8104 56.7142 28.3774 175.3394 93 K 5.5409 8.1504 113.7899 55.2653 37.0752 174.8037 94 A 5.2304 8.0373 120.4062 52.3212 22.8848 174.6109 95 E 5.2400 9.3406 118.0829 54.7108 33.9076 175.5694 96 I 4.9413 8.4974 121.6782 59.7534 40.3479 175.2051 97 G 4.1709 8.8132 114.1274 44.4706 0.0000 170.7266 98 Y 5.2772 7.9119 116.8511 56.9255 39.5602 172.5692 99 W 5.2937 7.6814 116.1432 56.1507 31.5409 173.0016 100 I 4.3003 7.6187 119.0513 59.0569 40.6371 174.2520 101 A 4.2747 9.1469 129.5530 51.9883 19.1449 178.6991 102 K 4.0621 9.2820 123.2250 60.4778 32.3647 179.4768 103 E 3.5147 7.4003 116.0862 58.6959 29.8999 178.2408 104 F 4.7361 8.8391 116.7731 57.1536 39.6342 176.7595 105 E 4.1783 8.5245 121.3601 58.1632 28.9131 177.9782 106 G 3.9036 7.5966 106.5914 45.9610 0.0000 175.2280 107 K 4.3242 8.0884 118.7209 55.9700 32.1288 177.2176 108 G 4.1959 7.9327 106.4340 46.6825 0.0000 176.7615 109 I 3.7660 7.1980 120.9532 63.9939 37.1306 177.7182 110 I 3.5252 7.6677 119.8506 64.9204 36.9257 178.3936 111 T 3.7413 7.7727 115.3445 66.7245 68.2313 176.4715 112 A 4.0033 7.7910 122.3648 54.7841 18.3212 179.6672 113 A 3.8776 8.2754 119.7704 55.5741 18.4620 179.2978 114 C 3.9667 8.4012 115.7201 63.3845 28.3303 176.7296 115 R 4.0331 8.2190 119.2823 59.2482 29.6782 179.2953 116 K 4.0049 7.8727 118.1260 59.5526 32.1088 179.2520 117 L 4.0371 8.0711 120.4635 57.9534 41.8994 179.1299 118 I 3.2824 7.9467 120.0591 64.4715 37.0477 178.0658 119 T 3.6327 7.5807 116.3882 67.0038 68.2876 175.4591 120 Y 4.1188 8.0957 120.5940 60.8418 38.7324 177.7869 121 A 3.5804 7.7877 121.4492 55.3106 18.2940 179.3471 122 F 4.5427 7.5399 115.1296 59.6409 39.2074 177.9256 123 E 4.4088 8.5357 117.2961 57.7292 29.8399 177.5297 124 E 4.3968 8.0162 117.1526 57.8443 30.9141 177.7276 125 L 4.0370 7.3283 115.4557 54.2499 42.0758 176.5416 126 E 4.1087 7.9284 115.9685 55.8482 27.2342 174.7294 127 L 4.2031 7.9528 117.6819 55.1016 42.3916 176.8574 128 N 4.7173 9.2840 120.1600 54.9177 40.6605 174.6316 129 R 5.3111 7.9609 118.2731 54.8000 34.0319 173.6893 130 V 4.9798 9.0797 124.8612 61.0799 35.0168 173.9950 131 A 5.6072 9.1461 128.1952 50.3422 22.7336 174.8618 132 I 4.9263 9.0097 119.7887 59.6038 40.9384 174.3935 133 C 5.2187 8.3078 124.1944 57.9242 34.8454 172.6511 134 A 4.5095 8.1546 122.4808 50.4450 23.1194 175.6036 135 A 4.4192 8.4769 122.6816 52.1765 18.7518 178.9186 136 V 3.4550 8.7607 124.3371 63.6074 31.8875 177.4220 137 G 4.1035 7.8956 109.3338 45.3939 0.0000 173.2440 138 N 4.7980 7.7888 117.9372 50.5947 38.6433 174.2908 139 E 3.7828 8.1688 122.4413 59.3264 29.8909 178.9861 140 K 4.0939 7.5371 115.6900 58.3412 32.3951 179.0020 141 S 3.9882 8.4816 114.7484 60.9300 62.3929 176.0154 142 R 3.6874 7.8164 119.9522 59.2626 29.6312 178.4732 143 A 3.9030 7.8242 120.4463 55.3483 18.2432 179.4177 144 V 3.5678 7.5567 116.5164 65.7100 31.4672 176.2895 145 P 3.5560 0.0000 0.0000 65.3559 30.9469 178.3621 146 E 3.9538 7.1375 115.9152 59.6202 29.5189 179.0878 147 R 4.0483 8.3998 117.9374 59.6403 30.1828 178.2675 148 I 4.1478 7.6826 118.3664 62.3867 37.2343 176.7194 149 G 4.2549 8.4855 108.8433 45.6794 0.0000 173.8234 150 F 4.5882 8.5116 117.0162 56.8210 40.1348 175.1313 151 L 4.8636 8.6585 123.5002 53.3138 43.7553 175.7801 152 E 4.0681 8.8239 123.4064 56.4826 29.6862 176.0623 153 E 4.5726 9.9424 124.6787 54.9959 32.7003 176.3579 154 G 3.9922 6.8771 105.7975 45.3560 0.0000 170.4514 155 K 5.2426 8.1018 117.3437 54.5933 35.8204 175.8578 156 A 4.7575 9.4116 125.8483 50.3183 21.0570 176.4105 157 R 4.2036 8.6476 122.5276 56.6675 31.2158 176.9446 158 D 4.6627 9.1194 122.7977 54.8118 38.9513 176.2336 159 G 3.9564 7.3532 109.2640 47.5980 0.0000 173.6295 160 L 4.8412 8.1805 121.0911 53.3407 45.0486 174.6807 161 Y 4.0189 8.3075 123.6105 55.3911 39.1693 173.5547 162 V 4.0299 7.6652 124.2787 61.1885 31.9090 173.7282 163 N 3.9571 9.3424 126.2335 54.3228 34.8377 174.2057 164 G 3.8642 8.3527 105.9212 46.3206 0.0000 170.5449 *166 H 4.5503 7.7855 113.1004 55.5232 29.3996 172.2193 167 H 5.1021 8.2706 116.0521 54.3080 33.1232 172.6626 168 D 4.9346 8.6465 119.6233 53.9883 42.7278 175.2370 169 L 5.1984 8.6361 120.4892 52.9154 45.1008 175.8281 170 V 4.7200 8.6383 122.5816 60.1695 34.1339 174.1463 171 Y 4.9406 9.0863 121.9713 56.8240 40.2261 174.2923 172 Y 5.5410 9.4269 120.3181 56.5667 42.3430 174.6690 173 S 5.5008 9.6827 116.1745 57.0044 67.6162 172.6179 174 L 4.6864 8.9616 122.4196 53.6111 44.8044 174.8305 175 L 4.9785 8.4094 125.5839 52.9014 43.6804 177.4515 176 K 2.4800 8.6182 125.2824 59.4066 32.0088 178.8025 177 R 4.5180 7.6013 112.2457 56.5357 29.2680 176.7267 178 E 4.5752 8.4158 117.7109 56.0785 32.0356 175.7228 179 W 4.3025 7.6335 132.7522 57.2340 30.7706 175.1901 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 0 G 8.35 3.60 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 0.00 0.00 0.00 *2 F 8.37 4.68 0.00 3.11 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 3 T 8.31 4.76 4.22 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 1.18 0.00 0.00 4 C 8.62 4.73 0.00 2.92 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 5 K 8.62 4.52 0.00 1.77 1.69 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.38 7.81 6 V 9.04 3.65 2.16 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 0.87 0.00 0.00 0.91 0.00 0.00 7 N 8.15 4.31 0.00 2.87 2.90 0.00 0.00 6.32 7.66 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 8 E 8.80 3.54 0.00 1.92 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 2.18 2.25 0.00 9 H 10.26 4.62 0.00 2.94 2.67 0.00 5.60 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 10 I 7.47 4.83 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.63 0.87 0.00 0.00 11 T 8.45 4.98 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 1.15 0.00 0.00 12 I 8.29 4.87 1.78 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 1.20 0.54 0.85 0.00 0.00 13 R 8.43 4.77 0.00 1.80 1.91 0.00 2.73 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 14 L 8.35 4.24 0.00 1.42 1.57 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.36 4.66 0.00 1.87 1.72 1.14 0.88 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 16 E 8.69 4.83 0.00 2.00 1.80 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 2.22 2.39 0.00 17 P 0.00 4.27 0.00 2.19 2.13 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 18 K 7.92 4.27 0.00 1.87 1.93 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 19 D 9.20 4.57 0.00 2.75 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 20 A 8.37 4.03 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 21 E 8.09 3.91 0.00 2.04 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 2.42 2.38 0.00 22 R 7.87 3.90 0.00 1.88 1.91 0.00 3.21 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 23 L 8.19 3.91 0.00 1.59 1.68 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.01 4.18 1.49 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 25 E 8.03 4.00 0.00 2.23 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 2.47 0.00 26 L 7.78 4.42 0.00 1.92 1.80 1.02 1.12 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 27 I 7.61 4.10 1.90 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 0.86 0.84 0.95 0.00 0.00 28 I 7.57 3.77 1.98 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 1.45 0.78 0.93 0.00 0.00 29 Q 7.56 4.31 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.17 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 30 N 7.74 4.86 0.00 2.67 2.55 0.00 0.00 6.78 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 31 Q 8.31 3.91 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 32 Q 7.79 4.37 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 5.63 0.00 0.00 0.00 0.00 0.00 2.32 1.94 0.00 33 R 8.54 4.37 0.00 2.03 2.17 0.00 3.10 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 34 L 8.41 4.03 0.00 1.81 1.56 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.01 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 36 K 7.73 4.07 0.00 2.26 1.91 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.50 7.81 37 W 8.37 4.65 0.00 3.30 3.60 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 38 L 8.12 3.80 0.00 1.89 1.84 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.30 5.05 0.00 3.12 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 40 F 7.12 3.70 0.00 2.62 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 *45 S 8.67 4.40 0.00 3.95 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 46 S 8.21 4.65 0.00 4.10 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 47 A 8.78 4.21 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 48 D 7.97 4.25 0.00 2.73 2.65 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 49 T 7.44 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 50 Y 7.89 3.80 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 51 R 7.67 3.94 0.00 2.02 2.14 0.00 3.24 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 52 E 8.48 4.53 0.00 1.87 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 0.00 2.25 2.60 0.00 53 T 7.34 4.36 4.22 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 1.05 0.00 0.00 54 I 7.85 3.15 1.38 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.27 -0.29 0.00 0.00 55 I 7.22 3.67 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 1.00 0.00 0.00 56 P 0.00 4.24 0.00 2.24 2.12 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 57 D 8.09 4.43 0.00 2.58 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.00 4.54 0.00 3.59 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 R 8.74 4.10 0.00 2.16 2.11 0.00 3.38 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 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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 1.47 1.09 0.83 0.00 0.00 69 E 9.00 4.61 0.00 1.30 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 1.95 1.47 0.00 70 A 8.36 4.71 1.08 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 0.00 0.00 71 G 8.68 3.75 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 0.00 0.00 0.00 72 L 8.64 5.02 0.00 1.21 1.34 0.64 0.68 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 73 L 8.37 4.99 0.00 1.62 1.42 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.48 4.59 0.00 2.91 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 0.00 0.00 0.00 75 D 8.68 4.35 0.00 2.84 2.65 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 76 G 8.35 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 86 N 8.67 4.14 0.00 2.89 2.88 0.00 0.00 6.46 6.74 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 87 L 7.80 4.03 0.00 1.61 1.60 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 88 D 9.56 4.78 0.00 2.58 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 89 Q 8.65 3.90 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.60 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 90 V 8.02 3.53 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 0.79 0.00 0.00 0.93 0.00 0.00 91 N 8.45 4.59 0.00 2.92 2.83 0.00 0.00 7.25 6.96 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 92 R 8.52 3.85 0.00 1.96 2.05 0.00 3.08 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 93 K 8.15 5.54 0.00 1.81 1.87 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.23 7.81 94 A 8.04 5.23 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 95 E 9.34 5.24 0.00 1.70 1.91 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 2.27 2.27 0.00 96 I 8.50 4.94 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.59 1.01 0.00 0.00 97 G 8.81 4.17 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 0.00 98 Y 7.91 5.28 0.00 2.92 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 99 W 7.68 5.29 0.00 3.19 3.29 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 0.00 100 I 7.62 4.30 1.66 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 1.24 0.62 0.72 0.00 0.00 101 A 9.15 4.27 1.50 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 0.00 102 K 9.28 4.06 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.89 0.00 0.00 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1.49 0.43 0.05 0.00 0.00 111 T 7.77 3.74 4.22 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 1.21 0.00 0.00 112 A 7.79 4.00 1.36 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 0.00 113 A 8.28 3.88 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 0.00 114 C 8.40 3.97 0.00 3.18 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 0.00 115 R 8.22 4.03 0.00 2.08 2.11 0.00 3.20 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 116 K 7.87 4.00 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.60 7.81 117 L 8.07 4.04 0.00 1.76 1.81 0.98 0.98 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 0.00 118 I 7.95 3.28 1.95 0.00 0.00 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 1.40 0.64 0.22 0.00 0.00 119 T 7.58 3.63 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 120 Y 8.10 4.12 0.00 3.01 3.14 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 0.00 121 A 7.79 3.58 0.88 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 0.00 122 F 7.54 4.54 0.00 2.50 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 0.00 123 E 8.54 4.41 0.00 2.16 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 0.00 2.55 2.75 0.00 124 E 8.02 4.40 0.00 1.73 1.84 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 2.35 2.68 0.00 125 L 7.33 4.04 0.00 1.42 1.52 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.93 4.11 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 2.23 2.26 0.00 127 L 7.95 4.20 0.00 1.70 1.76 0.82 1.14 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 0.00 128 N 9.28 4.72 0.00 2.73 2.82 0.00 0.00 6.67 7.53 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 0.00 129 R 7.96 5.31 0.00 1.93 1.73 0.00 3.19 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 130 V 9.08 4.98 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 1.04 0.00 0.00 0.47 0.00 0.00 131 A 9.15 5.61 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 0.00 132 I 9.01 4.93 1.49 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.76 0.00 0.00 133 C 8.31 5.22 0.00 2.93 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 0.00 134 A 8.15 4.51 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.48 4.42 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 0.00 136 V 8.76 3.46 2.21 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 0.65 0.00 0.00 0.91 0.00 0.00 137 G 7.90 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 0.00 0.00 0.00 138 N 7.79 4.80 0.00 2.51 2.42 0.00 0.00 7.23 7.18 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 0.00 139 E 8.17 3.78 0.00 2.02 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 2.39 2.42 0.00 140 K 7.54 4.09 0.00 1.75 1.94 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.47 7.81 141 S 8.48 3.99 0.00 3.22 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 0.00 142 R 7.82 3.69 0.00 1.94 1.94 0.00 3.60 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 143 A 7.82 3.90 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 0.00 144 V 7.56 3.57 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 0.86 0.00 0.00 0.70 0.00 0.00 145 P 0.00 3.56 0.00 1.16 1.20 0.00 3.45 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.68 0.00 146 E 7.14 3.95 0.00 2.01 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 2.44 2.04 0.00 147 R 8.40 4.05 0.00 1.73 2.14 0.00 3.34 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 148 I 7.68 4.15 2.40 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.80 1.27 0.00 0.00 149 G 8.49 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 0.00 0.00 0.00 0.00 150 F 8.51 4.59 0.00 3.04 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 0.00 151 L 8.66 4.86 0.00 1.69 1.65 0.96 1.15 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 0.00 152 E 8.82 4.07 0.00 1.88 1.74 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 1.90 1.47 0.00 153 E 9.94 4.57 0.00 1.92 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 2.26 2.30 0.00 154 G 6.88 3.99 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 0.00 0.00 0.00 155 K 8.10 5.24 0.00 1.62 1.70 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.37 7.81 156 A 9.41 4.76 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 0.00 157 R 8.65 4.20 0.00 1.81 1.91 0.00 3.25 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 158 D 9.12 4.66 0.00 3.01 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 0.00 159 G 7.35 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 0.00 160 L 8.18 4.84 0.00 1.80 1.43 0.94 0.57 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 0.00 161 Y 8.31 4.02 0.00 2.91 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 0.00 162 V 7.67 4.03 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 0.92 0.00 0.00 0.95 0.00 0.00 163 N 9.34 3.96 0.00 2.89 2.82 0.00 0.00 7.14 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 0.00 164 G 8.35 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 *166 H 7.79 4.55 0.00 3.03 2.57 0.00 5.28 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 H 8.27 5.10 0.00 2.95 3.11 0.00 5.71 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 0.00 168 D 8.65 4.93 0.00 2.68 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 0.00 169 L 8.64 5.20 0.00 1.51 1.19 0.94 0.68 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 0.00 170 V 8.64 4.72 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 0.83 0.00 0.00 0.68 0.00 0.00 171 Y 9.09 4.94 0.00 2.98 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 0.00 172 Y 9.43 5.54 0.00 3.07 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 0.00 173 S 9.68 5.50 0.00 3.90 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 0.00 174 L 8.96 4.69 0.00 0.27 0.75 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 175 L 8.41 4.98 0.00 1.61 1.49 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 176 K 8.62 2.48 0.00 1.19 1.58 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 0.78 7.81 177 R 7.60 4.52 0.00 1.91 1.94 0.00 3.15 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 178 E 8.42 4.58 0.00 2.10 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 2.22 2.19 0.00 179 W 7.63 4.30 0.00 3.16 3.02 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.