NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4869 8.1927 115.4341 57.8167 64.5729 174.3895 3 E 3.6298 8.5489 122.2992 58.0651 29.9719 178.0108 4 F 3.3722 8.6471 122.2054 61.1611 39.9990 175.6796 5 Y 4.5532 7.4690 116.5534 59.5624 37.9693 177.4987 6 K 4.0944 7.4640 118.4459 58.2954 32.7390 177.5587 7 L 3.8193 7.1826 120.0118 54.7174 42.4093 176.8757 8 A 5.1417 8.1326 123.9481 49.1150 19.0576 173.7629 9 P 4.4964 0.0000 0.0000 61.9194 33.7591 176.5991 10 V 4.2767 8.3459 121.4514 62.9424 32.9504 175.9388 11 D 4.8892 9.4401 128.6299 51.8359 41.1783 176.8334 12 K 3.7969 7.9226 119.8883 59.5802 31.9801 177.6361 13 K 4.1949 8.1239 115.1171 56.3236 32.1081 177.1209 14 G 3.8958 8.2960 107.1102 46.0078 0.0000 173.3719 15 Q 4.8019 8.7562 118.1006 52.7019 31.9534 173.5372 16 P 4.4658 0.0000 0.0000 63.4845 32.0378 176.2485 17 F 4.8128 9.3001 127.6933 55.4441 39.9662 171.3875 18 P 4.5545 0.0000 0.0000 62.0442 32.2094 177.9437 19 F 4.5727 9.2952 121.4374 58.8927 38.7168 177.2866 20 D 4.3396 8.0734 119.7367 55.9679 39.0714 177.8468 21 Q 4.0754 7.5157 117.5958 57.9417 28.9122 177.2003 22 L 4.4613 7.7822 120.5416 53.7019 42.0073 176.3644 23 K 3.9455 6.4315 119.6200 57.1833 32.2015 177.4492 24 G 3.9850 8.8108 111.4442 45.2597 0.0000 172.9014 25 K 4.8858 7.8203 119.1554 54.2211 35.3179 175.7344 26 V 4.2366 8.5962 124.4237 62.8286 32.9936 174.8924 27 V 4.6614 8.5918 127.1571 60.9301 34.8935 173.6019 28 L 5.0931 8.4337 130.0476 53.7300 43.8911 174.7997 29 I 5.2124 9.3269 128.5960 59.7648 39.3740 175.1397 30 V 5.5456 9.1236 126.8603 58.6703 34.4394 174.5227 31 N 5.2510 9.1843 122.8406 52.5915 39.0175 174.1135 32 V 4.0803 9.2493 123.4748 60.3922 35.0956 174.2311 33 A 4.1991 7.1241 126.5985 51.7929 18.0320 177.9550 34 S 4.2206 8.4884 118.1752 60.8753 63.0302 175.0256 35 K 4.4155 7.9761 117.5325 55.5047 32.9939 175.9839 36 C 4.5447 8.3373 118.9224 59.7341 29.0019 173.8118 37 G 4.0230 9.3121 106.9855 45.8979 0.0000 173.7205 38 F 5.0778 8.3047 116.5688 56.5274 40.6428 177.5292 39 T 4.1665 8.6736 119.4204 66.8523 68.3026 173.7999 40 P 4.3234 0.0000 0.0000 65.7350 31.4058 178.7194 41 Q 3.7064 7.9426 116.7446 59.0716 28.4109 178.3121 42 Y 4.3323 7.7415 117.2510 60.8312 37.9917 178.3734 43 K 4.0893 8.3827 119.6360 59.6023 32.1810 179.2387 44 E 4.0386 8.1029 118.3533 59.2923 29.2885 179.4556 45 L 4.0373 7.9355 118.6370 57.8665 41.7661 179.1049 46 E 4.3603 8.8176 119.2148 59.4037 29.5895 178.7165 47 A 4.0690 8.3431 120.8438 54.9852 18.5832 179.2933 48 L 3.9579 8.0583 118.8897 58.4597 42.1813 178.5797 49 Y 4.5586 8.5018 119.4657 60.9498 38.6329 177.9687 50 K 3.7866 8.4730 118.3500 59.5498 32.2426 178.9482 51 R 3.7845 7.8509 117.5810 58.9246 30.3034 177.2743 52 Y 4.7316 7.6774 113.8344 57.4401 39.2050 177.6305 53 K 4.6895 8.0319 119.7167 59.4549 32.3851 178.0464 54 D 4.7130 7.9590 115.5214 54.7669 40.9456 176.4801 55 E 4.2263 8.5678 119.0421 56.5918 30.6315 176.2755 56 G 3.9203 8.8674 107.1123 45.5933 0.0000 172.8379 57 F 5.5395 7.7251 119.1762 56.9319 43.9067 173.8122 58 T 5.0061 7.7909 118.1201 60.8197 71.6613 172.0148 59 I 4.6732 7.8482 124.2599 59.3075 40.2031 175.1076 60 I 4.3405 8.5702 128.1836 59.6652 39.1678 174.7924 61 G 4.5135 9.0511 115.9313 44.8959 0.0000 172.0930 62 F 5.1212 9.4889 125.3208 54.9631 40.7854 173.5426 63 P 4.7654 0.0000 0.0000 63.4162 32.6628 175.2345 64 C 4.9056 8.6068 121.2968 58.7916 35.3765 173.5561 65 N 4.8452 8.4756 122.7251 53.6023 38.7252 174.9546 66 Q 3.9193 7.4497 113.6441 56.2679 29.4162 176.0923 67 F 4.8693 7.2696 115.6352 55.5676 39.0895 174.2200 68 G 4.0839 7.7118 109.3581 43.7199 0.0000 171.6418 *87 G 3.7286 8.5400 111.0764 44.8666 0.0000 172.5563 88 V 4.3781 7.3928 112.2723 59.5972 33.9754 175.6130 89 T 4.4203 8.8661 109.5070 61.2523 69.3881 174.1886 90 F 4.1332 6.7114 117.1256 54.8150 39.9332 173.7688 91 P 4.1403 0.0000 0.0000 63.2650 32.0888 175.2475 92 I 4.6892 8.1670 124.8612 59.8541 39.8785 175.2233 93 M 4.3623 8.0693 126.0635 53.0265 34.3111 175.6413 94 K 4.0634 8.3199 121.4840 56.3090 32.9606 176.4968 95 K 4.3559 8.7051 127.5311 57.1633 32.2942 175.5029 96 I 4.7893 8.7361 119.3314 59.2396 42.0945 173.4343 97 D 4.8332 8.3846 121.7118 53.5421 41.6971 178.2840 98 V 3.5114 8.4815 116.1804 62.1007 32.2997 175.8437 99 N 4.9737 8.1377 115.0355 51.8080 42.4043 174.5593 100 G 3.8057 8.5103 106.1746 44.4387 0.0000 174.1728 101 G 3.6905 8.4507 106.2012 47.7270 0.0000 174.1557 102 N 4.8679 7.8156 115.9872 52.6120 39.0887 174.1689 103 E 4.0476 7.7769 119.4319 56.3700 30.2517 176.4008 104 D 4.4725 8.6725 125.8995 53.4361 42.1479 175.0519 105 P 4.2404 0.0000 0.0000 66.0014 31.1958 179.0072 106 V 3.4799 8.1599 116.9039 66.2250 31.4135 177.6787 107 Y 3.5988 7.8832 115.7804 60.0684 37.7209 177.6559 108 K 3.8741 8.1800 120.9624 59.4758 31.8207 178.5293 109 F 4.1186 8.2668 120.7295 61.2452 39.3496 176.9243 110 L 3.4353 7.7008 118.4402 57.7278 41.0812 179.8598 111 K 4.2745 7.5945 116.9695 59.2894 31.9918 179.3222 112 S 4.1915 7.5669 113.6520 60.9052 62.9533 175.9142 113 Q 4.3673 7.0485 119.7484 56.2515 29.1011 175.5065 114 K 4.3497 7.9148 120.2214 54.9672 33.5372 175.0255 115 S 4.6731 8.1953 120.6124 56.3769 67.0197 174.7168 116 G 3.8176 8.4247 111.1883 45.9102 0.0000 173.8706 117 M 4.1575 8.6277 120.7192 57.2197 32.2246 176.7315 118 L 4.7265 7.4616 115.7553 53.6055 45.4626 177.6270 119 G 3.8397 8.4805 108.1088 44.6876 0.0000 172.9772 120 L 4.1168 8.3887 118.8157 55.2445 42.0450 177.3734 121 R 4.3130 8.5301 121.2441 57.2232 31.0920 177.2186 122 G 3.9296 7.9131 105.8162 45.0978 0.0000 172.9265 123 I 4.2053 7.7623 121.0920 61.1518 37.6790 176.9972 124 K 4.2113 9.1509 125.5558 58.7078 32.2563 176.3992 125 W 3.6730 7.0948 124.6993 55.3727 33.5713 173.0034 126 N 3.8198 6.9579 116.6921 54.7398 38.3511 174.7873 127 F 3.9904 8.3959 118.2828 58.6251 37.1110 174.8081 128 E 4.5245 7.9972 120.5714 56.2403 31.0664 175.3181 129 K 5.3362 8.9031 123.7624 54.7471 36.5974 175.1290 130 F 5.2502 9.6199 122.8667 55.6318 42.4292 173.7182 131 L 5.1587 9.1874 126.0430 53.5404 44.1332 175.0145 132 V 4.7218 8.9487 126.3508 60.6305 33.9759 174.5013 133 D 4.7473 9.0071 127.5031 54.5333 42.0923 177.6284 134 K 4.3790 8.7657 120.2210 58.0176 32.2035 178.9528 135 K 4.4852 8.3873 116.6803 56.2717 32.4700 177.3006 136 G 3.4716 7.8961 107.5264 44.8084 0.0000 173.3713 137 K 4.3005 7.6326 119.5964 54.5023 33.2297 176.2246 138 V 3.9786 8.2168 124.0100 63.3235 31.9405 174.7609 139 Y 4.3095 9.1146 129.9303 60.0552 39.2601 174.9677 140 E 4.4576 7.8623 116.4699 55.2362 33.0455 173.6616 141 R 4.4784 8.3672 125.7819 54.5998 31.9959 174.8247 142 Y 4.8905 8.8426 123.6197 55.8250 41.7282 175.8354 143 S 4.5940 8.6434 117.1803 57.6263 64.1018 175.3033 144 S 4.8181 8.4678 114.7627 60.6744 62.7004 175.5880 145 L 4.1891 7.3176 119.8958 56.4087 41.7693 177.1003 146 T 4.1160 7.5081 109.9845 60.7872 69.3717 174.7547 147 K 4.1703 8.4586 126.1519 55.2947 33.2261 176.0807 148 P 4.2235 0.0000 0.0000 65.9373 31.3525 179.0336 149 S 4.1691 8.0026 112.3251 61.7129 62.4745 176.6666 150 S 4.2355 7.8382 117.1668 60.3128 62.7690 175.4140 151 L 4.2014 7.6658 121.0606 54.7803 41.6020 178.4909 152 S 3.9401 7.7568 115.5163 61.6110 62.9957 176.3843 153 E 3.8781 8.0325 121.9090 59.2320 29.3476 179.3507 154 T 4.0648 7.6132 116.5554 66.1007 68.5919 176.5776 155 I 3.4899 7.8204 122.0844 64.3474 36.8197 178.3271 156 E 3.7663 8.0964 119.8569 59.2449 29.2759 179.2786 157 E 3.9264 7.9600 117.2201 59.2060 29.5501 179.2024 158 L 3.9993 7.6129 119.5967 57.4241 41.4203 179.2949 159 L 4.0604 7.7619 118.2613 57.1498 41.6139 178.6728 160 K 4.2659 7.4337 115.8654 55.4214 32.6296 176.9641 161 E 3.9156 7.1632 119.4209 57.1383 30.0338 177.6667 162 V 3.8634 8.3191 114.9838 61.6970 31.7464 176.0494 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 2 S 8.19 4.49 0.00 4.02 4.08 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 3 E 8.55 3.63 0.00 2.12 1.79 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 2.14 2.30 0.00 4 F 8.65 3.37 0.00 2.92 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 5 Y 7.47 4.55 0.00 3.09 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.46 4.09 0.00 1.84 1.77 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.40 7.81 7 L 7.18 3.82 0.00 1.04 0.50 0.64 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.13 5.14 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.50 0.00 2.38 2.41 0.00 3.68 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 10 V 8.35 4.28 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 1.01 0.00 0.00 0.95 0.00 0.00 11 D 9.44 4.89 0.00 2.75 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 K 7.92 3.80 0.00 1.86 1.82 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.36 7.81 13 K 8.12 4.19 0.00 1.89 1.82 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.38 7.81 14 G 8.30 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 15 Q 8.76 4.80 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 16 P 0.00 4.47 0.00 1.94 2.01 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 17 F 9.30 4.81 0.00 3.14 3.12 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 18 P 0.00 4.55 0.00 2.45 2.10 0.00 3.58 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 1.90 1.89 0.00 19 F 9.30 4.57 0.00 2.90 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 20 D 8.07 4.34 0.00 2.80 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 21 Q 7.52 4.08 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 22 L 7.78 4.46 0.00 2.24 2.01 0.94 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 K 6.43 3.95 0.00 1.43 1.48 0.00 1.46 0.00 0.00 1.23 0.00 0.00 2.64 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 0.35 7.81 24 G 8.81 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.82 4.89 0.00 2.09 1.74 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.47 7.81 26 V 8.60 4.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.95 0.00 0.00 27 V 8.59 4.66 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 1.01 0.00 0.00 28 L 8.43 5.09 0.00 1.88 1.49 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 I 9.33 5.21 2.05 0.00 0.00 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 1.52 0.82 1.17 0.00 0.00 30 V 9.12 5.55 2.23 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 1.29 0.00 0.00 1.21 0.00 0.00 31 N 9.18 5.25 0.00 2.83 3.05 0.00 0.00 5.70 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 32 V 9.25 4.08 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 1.23 0.00 0.00 1.25 0.00 0.00 33 A 7.12 4.20 0.84 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 0.00 0.00 34 S 8.49 4.22 0.00 3.88 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 35 K 7.98 4.42 0.00 1.96 1.85 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 36 C 8.34 4.54 0.00 3.01 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 37 G 9.31 4.02 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 0.00 0.00 0.00 38 F 8.30 5.08 0.00 3.61 3.13 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 39 T 8.67 4.17 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 40 P 0.00 4.32 0.00 2.15 2.12 0.00 3.60 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 2.21 0.00 41 Q 7.94 3.71 0.00 1.38 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 1.29 1.94 0.00 42 Y 7.74 4.33 0.00 3.19 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 43 K 8.38 4.09 0.00 2.04 1.92 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.73 7.81 44 E 8.10 4.04 0.00 2.14 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 2.34 2.49 0.00 45 L 7.94 4.04 0.00 2.18 1.78 1.12 0.60 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 46 E 8.82 4.36 0.00 2.43 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 47 A 8.34 4.07 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 48 L 8.06 3.96 0.00 2.06 2.06 1.04 1.02 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 49 Y 8.50 4.56 0.00 3.21 3.41 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 50 K 8.47 3.79 0.00 1.89 1.86 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.84 7.81 51 R 7.85 3.78 0.00 1.55 1.71 0.00 2.88 0.00 0.00 2.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 52 Y 7.68 4.73 0.00 2.87 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 53 K 8.03 4.69 0.00 1.66 1.48 0.00 1.28 0.00 0.00 0.76 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.24 7.81 54 D 7.96 4.71 0.00 2.68 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 55 E 8.57 4.23 0.00 2.14 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 2.42 2.60 0.00 56 G 8.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.73 5.54 0.00 3.11 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 58 T 7.79 5.01 4.29 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 1.14 0.00 0.00 59 I 7.85 4.67 0.56 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.51 0.40 0.00 0.00 60 I 8.57 4.34 2.01 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 1.09 1.11 0.61 0.00 0.00 61 G 9.05 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 9.49 5.12 0.00 3.13 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 63 P 0.00 4.77 0.00 2.07 1.98 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 64 C 8.61 4.91 0.00 2.91 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.48 4.85 0.00 2.62 2.64 0.00 0.00 7.11 7.08 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 66 Q 7.45 3.92 0.00 1.05 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 7.13 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 67 F 7.27 4.87 0.00 2.38 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 0.00 0.00 0.00 68 G 7.71 4.08 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 0.00 *87 G 8.54 3.73 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 0.00 0.00 0.00 88 V 7.39 4.38 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 nan 0.00 0.00 0.11 0.00 0.00 89 T 8.87 4.42 4.39 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 1.31 0.00 0.00 90 F 6.71 4.13 0.00 2.48 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 0.00 0.00 0.00 91 P 0.00 4.14 0.00 1.73 1.53 0.00 3.78 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 2.15 2.16 0.00 92 I 8.17 4.69 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.82 0.00 0.00 93 M 8.07 4.36 0.00 1.79 1.42 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.86 0.00 94 K 8.32 4.06 0.00 2.01 1.82 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.39 7.81 95 K 8.71 4.36 0.00 1.79 1.70 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 96 I 8.74 4.79 1.84 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 1.15 0.00 0.00 97 D 8.38 4.83 0.00 2.76 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 98 V 8.48 3.51 1.59 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 -0.21 0.00 0.00 1.03 0.00 0.00 99 N 8.14 4.97 0.00 2.59 2.68 0.00 0.00 7.13 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 0.00 100 G 8.51 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.45 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 0.00 102 N 7.82 4.87 0.00 2.80 2.77 0.00 0.00 6.86 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 0.00 103 E 7.78 4.05 0.00 1.99 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 2.35 2.45 0.00 104 D 8.67 4.47 0.00 2.78 2.50 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 0.00 105 P 0.00 4.24 0.00 2.12 2.07 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 106 V 8.16 3.48 1.92 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 0.79 0.00 0.00 0.77 0.00 0.00 107 Y 7.88 3.60 0.00 3.01 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 0.00 108 K 8.18 3.87 0.00 1.93 1.99 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 109 F 8.27 4.12 0.00 3.14 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.70 3.44 0.00 0.80 0.13 -0.20 0.53 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 0.00 111 K 7.59 4.27 0.00 1.87 1.90 0.00 1.94 0.00 0.00 2.14 0.00 0.00 3.17 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.81 1.64 7.81 112 S 7.57 4.19 0.00 3.92 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 0.00 113 Q 7.05 4.37 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.88 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 114 K 7.91 4.35 0.00 1.68 1.71 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.31 7.81 115 S 8.20 4.67 0.00 3.83 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 0.00 116 G 8.42 3.82 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 0.00 117 M 8.63 4.16 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 118 L 7.46 4.73 0.00 1.57 1.53 0.91 0.89 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 0.00 119 G 8.48 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 0.00 0.00 0.00 120 L 8.39 4.12 0.00 1.68 1.66 0.96 0.86 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 0.00 121 R 8.53 4.31 0.00 1.82 2.01 0.00 3.22 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 122 G 7.91 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 0.00 123 I 7.76 4.21 2.16 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.96 0.00 0.00 124 K 9.15 4.21 0.00 1.87 1.90 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.47 7.81 125 W 7.09 3.67 0.00 2.97 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 0.00 126 N 6.96 3.82 0.00 2.11 1.58 0.00 0.00 6.89 7.45 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 0.00 127 F 8.40 3.99 0.00 3.27 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 0.00 128 E 8.00 4.52 0.00 2.07 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 2.27 2.41 0.00 129 K 8.90 5.34 0.00 1.88 1.78 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.69 7.81 130 F 9.62 5.25 0.00 2.95 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 0.00 131 L 9.19 5.16 0.00 2.15 1.84 1.09 1.05 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 0.00 132 V 8.95 4.72 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 0.00 0.00 0.75 0.00 0.00 133 D 9.01 4.75 0.00 2.98 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 0.00 134 K 8.77 4.38 0.00 1.87 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.39 7.81 135 K 8.39 4.49 0.00 1.81 1.92 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.42 7.81 136 G 7.90 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.63 4.30 0.00 2.02 1.74 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.43 7.81 138 V 8.22 3.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.79 0.00 0.00 139 Y 9.11 4.31 0.00 2.97 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 0.00 140 E 7.86 4.46 0.00 1.66 1.51 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 1.70 1.47 0.00 141 R 8.37 4.48 0.00 1.43 1.43 0.00 3.30 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 142 Y 8.84 4.89 0.00 2.90 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 0.00 143 S 8.64 4.59 0.00 4.00 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 0.00 144 S 8.47 4.82 0.00 4.20 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 0.00 145 L 7.32 4.19 0.00 1.49 1.75 0.88 0.80 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 0.00 146 T 7.51 4.12 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 147 K 8.46 4.17 0.00 1.81 1.94 0.00 1.67 0.00 0.00 1.93 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.44 7.81 148 P 0.00 4.22 0.00 2.16 2.13 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 149 S 8.00 4.17 0.00 4.05 4.13 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 0.00 150 S 7.84 4.24 0.00 4.01 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 0.00 151 L 7.67 4.20 0.00 1.84 1.49 0.08 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 7.76 3.94 0.00 4.27 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.03 3.88 0.00 1.96 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 2.38 2.33 0.00 154 T 7.61 4.06 4.30 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 1.23 0.00 0.00 155 I 7.82 3.49 1.37 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 1.37 0.74 -0.04 0.00 0.00 156 E 8.10 3.77 0.00 2.03 1.92 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 2.19 2.27 0.00 157 E 7.96 3.93 0.00 2.16 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 0.00 2.23 2.15 0.00 158 L 7.61 4.00 0.00 1.74 1.74 0.70 0.09 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 0.00 159 L 7.76 4.06 0.00 1.71 1.70 0.68 0.87 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 0.00 160 K 7.43 4.27 0.00 1.67 1.82 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.63 7.81 161 E 7.16 3.92 0.00 1.95 1.92 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 2.33 2.30 0.00 162 V 8.32 3.86 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 0.66 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.