NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Q 4.3280 8.3401 119.1124 54.0267 30.5178 174.7957 8 A 3.9166 7.8568 121.2716 50.9445 18.4874 174.9981 9 P 4.8137 0.0000 0.0000 63.1022 33.8092 174.0159 10 Y 4.5455 9.1305 120.4776 57.4966 39.0536 174.3493 11 L 4.7938 8.7100 124.6947 53.8075 43.4922 177.0927 12 S 3.9203 9.0964 120.1219 57.6013 61.1067 171.1680 13 P 4.3111 0.0000 0.0000 62.1180 32.1074 176.3574 14 A 4.1441 8.5305 124.9757 52.3307 19.0486 176.7943 15 V 4.7817 7.9413 114.6751 58.5118 34.1259 174.1563 16 P 4.6174 0.0000 0.0000 63.1801 31.9760 175.1943 17 F 4.9107 9.5700 125.0016 56.4881 42.5126 173.8909 18 S 4.3021 7.3332 120.0470 56.3670 66.1854 173.5825 19 G 3.8794 8.1609 110.3350 44.5956 0.0000 172.0874 20 T 4.8915 8.8399 119.9519 63.5174 69.4234 174.0104 21 I 4.2525 8.4487 127.0661 60.3664 38.9230 175.2675 22 Q 4.0801 8.3900 126.4209 56.4941 29.2306 176.5588 23 G 3.7494 9.1339 110.5437 44.7169 0.0000 174.3373 24 G 3.9904 7.7151 110.2042 43.9341 0.0000 173.4869 25 L 4.0626 8.1317 118.3725 55.1515 41.6540 177.4214 26 Q 4.7447 8.3692 121.9138 53.6031 31.5523 174.1439 27 D 4.2238 8.4442 119.0793 55.4106 41.6507 177.1334 28 G 3.9647 9.0900 115.7235 44.8904 0.0000 173.2227 29 L 4.1646 7.5044 123.3227 55.2195 43.5060 175.5022 30 Q 5.2375 8.7195 125.2311 54.4353 31.2420 174.4334 31 I 4.9577 9.1067 126.1844 60.0130 39.5998 174.7789 32 T 5.0036 9.1634 124.6880 61.9373 70.8591 173.9160 33 V 4.4545 9.7403 127.2562 61.2187 34.1008 173.5506 34 N 4.8078 8.2466 127.8078 52.0312 41.2434 173.6136 35 G 3.6360 6.6073 112.2823 45.9593 0.0000 171.5995 36 T 5.0415 8.0127 109.5322 59.6069 72.5838 173.5772 37 V 4.1837 8.5684 124.4001 62.6725 32.6188 175.5176 38 L 4.4435 8.5738 128.6212 54.9484 42.5275 177.5624 39 S 4.5136 8.1493 116.2127 56.7904 64.0594 172.8541 40 S 4.2910 8.6830 117.1991 59.0328 64.8307 175.7168 41 S 3.5802 8.9673 118.0041 58.6056 60.3577 173.4647 42 G 4.4257 7.9348 111.7766 45.8650 0.0000 172.3486 43 T 4.8444 8.7419 114.0785 60.9448 70.4935 172.6862 44 R 5.2891 7.9701 120.8231 54.7254 34.6480 173.9153 45 F 5.5175 8.4916 115.9858 55.3672 42.2370 173.2365 46 A 4.6415 9.1290 120.2885 50.3390 23.0061 175.1288 47 V 4.6023 8.6820 121.7736 61.0887 34.1267 174.0829 48 N 5.2737 9.2435 125.6976 51.4253 41.9520 173.4106 49 F 5.0746 9.2412 123.8421 56.2148 40.7507 175.0631 50 Q 5.0751 9.2550 121.6576 55.1859 33.0152 173.9285 51 T 4.3521 8.8061 116.6466 62.9539 69.1310 176.2519 52 G 3.9825 10.4758 119.3194 45.1109 0.0000 171.7965 53 F 4.7948 8.7224 116.1304 57.4260 40.1471 177.0490 54 S 4.1516 8.1691 115.6878 59.4518 63.1169 175.5459 55 G 3.8987 8.3195 106.8267 45.4704 0.0000 173.4959 56 N 4.4139 8.1478 118.2475 54.5852 40.0896 174.1994 57 D 5.0957 8.0768 117.6890 52.3733 43.8591 174.4678 58 I 4.7128 8.5839 125.0677 59.2071 38.9709 176.4121 59 A 4.3079 8.8816 130.4549 54.5109 19.2731 177.4872 60 F 5.1803 8.3181 117.8480 57.1705 42.8639 172.8254 61 H 5.1825 9.5892 127.3431 54.3719 31.9997 172.6780 62 F 4.5466 8.3676 128.4397 56.4224 41.8086 173.3448 63 N 4.8224 7.9490 125.0765 49.1398 39.4547 170.4797 64 P 3.9500 0.0000 0.0000 62.0361 33.1089 175.1604 65 R 4.3080 8.2130 122.3924 53.7482 33.1725 176.0032 66 F 4.9330 8.9634 128.4711 55.8850 36.6928 175.7111 67 E 4.6606 7.4272 118.7055 56.0050 34.4136 175.4853 68 D 4.6118 9.9909 120.4145 55.6022 38.2736 174.5173 69 G 3.8693 7.9854 106.5853 44.4643 0.0000 172.9914 70 G 3.8262 9.3421 108.6916 46.1257 0.0000 172.1951 71 Y 5.0603 8.3177 122.1682 55.3962 42.2977 173.8880 72 V 4.3430 8.8473 120.5540 61.0300 34.3783 174.3167 73 V 4.6387 8.0932 127.9716 61.8209 33.2292 174.0886 74 C 5.6868 9.0636 125.5723 57.5603 31.1116 172.6521 75 N 5.7033 8.3033 119.8684 53.9060 42.9263 172.3908 76 T 5.3686 8.9687 115.3431 61.8196 72.9947 173.1224 77 R 4.6772 9.1717 126.2348 54.5200 32.5291 174.5168 78 Q 4.5979 8.7055 125.4078 54.2010 32.0889 175.3593 79 N 3.9644 9.8585 124.2898 54.6149 37.8654 175.1088 80 G 3.8781 8.4004 104.9765 45.0836 0.0000 174.1180 81 S 4.7058 7.4800 115.5741 56.1914 65.5646 173.4799 82 W 4.9195 8.5418 123.2003 56.8664 29.9901 176.8618 83 G 4.4484 8.5750 110.4851 44.6263 0.0000 171.1317 84 P 4.7028 0.0000 0.0000 62.6329 32.1964 176.3428 85 E 4.3959 8.8624 122.7447 56.5383 30.6554 176.0092 86 E 4.6416 9.3301 123.9277 55.1010 31.2837 175.0898 87 R 5.2390 8.5968 123.7362 54.3633 32.7426 175.8810 88 K 4.5892 8.9022 123.4787 55.2552 35.5180 175.5445 89 T 4.5891 8.5174 119.3161 62.0917 70.9217 173.6124 90 H 4.1142 8.8688 111.4739 57.3154 26.2907 175.0501 91 M 4.0010 7.9205 117.4439 55.4504 32.8507 173.6116 92 P 4.5867 0.0000 0.0000 62.9395 32.2481 175.3926 93 F 5.0513 7.7171 115.3201 57.0419 43.1938 174.3142 94 Q 4.7843 8.6661 122.2727 54.1462 32.0334 174.1738 95 K 3.5271 8.5794 123.6439 58.3480 32.3622 177.0632 96 G 3.8917 8.7357 110.8519 45.8549 0.0000 172.8544 97 M 4.9596 7.6826 119.2002 52.2664 35.3106 173.6388 98 P 4.9017 0.0000 0.0000 62.8795 32.6714 175.5122 99 F 5.1649 8.6511 116.8715 55.2364 42.0837 173.0608 100 D 4.8625 9.7993 121.2816 52.7160 43.0930 174.2950 101 L 5.0221 9.0335 129.7107 53.5702 44.0493 174.4661 102 C 5.2707 8.8347 127.0902 57.5174 34.7258 172.3790 103 F 5.1853 9.6324 124.9326 55.7882 41.3857 174.2106 104 L 4.8713 9.2667 127.9882 53.5105 43.4856 175.7325 105 V 3.5925 8.5185 128.0750 62.7168 32.5283 175.3169 106 Q 5.1252 8.9524 126.3244 52.5913 31.9498 176.8527 107 S 4.3397 8.8061 113.6271 61.6837 62.9541 175.9130 108 S 4.5822 7.9452 114.8594 58.3192 63.9195 172.4106 109 D 4.5480 7.3077 119.3454 52.6385 43.1961 173.7520 110 F 4.8853 8.8889 117.8461 55.9600 41.0381 175.2173 111 K 4.6374 9.3247 125.6713 54.9546 33.9813 174.9981 112 V 4.5955 8.9237 128.4524 61.5309 33.6825 173.9613 113 M 5.0503 8.7413 128.3147 53.8865 34.5871 175.2483 114 V 4.4531 8.7190 123.0680 61.4592 34.2457 175.3948 115 N 4.2692 10.2381 126.6120 54.3795 36.5650 175.4747 116 G 3.9760 8.5292 104.9254 45.2179 0.0000 173.7371 117 I 4.4234 7.3332 120.9823 58.6419 39.3172 174.8727 118 L 4.3649 8.5936 126.5430 55.9571 42.3770 175.3079 119 F 5.0183 9.4942 128.0841 59.7122 40.7667 175.8794 120 V 4.5327 7.6529 109.6330 59.9607 36.2742 173.3975 121 Q 5.1552 8.6402 121.0769 54.3662 31.7244 174.6170 122 Y 4.6444 8.6594 123.6700 55.5512 41.7407 174.4590 123 F 4.1874 8.6135 126.1505 57.2454 39.8093 175.3374 124 H 4.3716 8.4411 121.0304 56.7492 28.9415 175.4955 125 R 4.5736 8.8507 121.8071 56.3148 31.9474 176.3783 126 V 4.6494 7.5800 109.1311 58.3726 35.4927 173.3570 127 P 4.3145 0.0000 0.0000 62.5505 32.0325 175.4508 128 F 5.1147 7.9136 117.3648 56.5419 40.3703 176.5247 *129 H 5.0539 8.4322 121.5385 54.2511 27.0812 176.6132 130 R 4.1307 7.7649 121.0040 58.8610 29.7873 179.1738 131 V 4.3058 8.0020 110.8085 61.5331 32.4686 176.1025 132 D 5.1671 8.7870 124.7074 53.1195 40.8494 175.6756 133 T 5.1384 7.7766 114.1541 62.9870 73.2204 172.0054 134 I 4.6559 8.8643 126.3232 59.2934 40.7519 174.4007 135 S 5.0210 8.8422 124.2321 56.7124 67.2684 173.1462 136 V 5.0779 9.0180 122.8270 61.3862 34.9979 173.9148 137 N 5.0317 9.2552 123.2680 52.2540 41.0763 172.9042 138 G 4.1272 8.7749 103.2327 44.5238 0.0000 174.1425 139 S 4.6530 8.8070 112.3171 58.4321 61.3671 174.4197 140 V 4.7803 7.3801 111.4612 59.5320 35.8266 176.5991 141 Q 4.6348 8.6441 124.0269 54.3542 31.4566 174.0828 142 L 4.7078 8.1804 124.2767 53.5022 44.4105 177.1376 143 S 4.3911 9.0648 120.3430 60.6888 64.1513 173.6949 144 Y 5.2023 6.8706 115.1555 56.0557 41.3607 172.9959 145 I 4.9771 8.9633 122.0869 59.6617 39.8500 175.0214 146 S 4.9713 9.1065 121.3788 56.4035 66.7044 172.9290 147 F 5.6106 8.8305 118.8181 55.8258 42.2808 175.1121 148 Q 4.2522 9.0778 119.6371 56.5739 28.8155 174.6509 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 7 Q 8.34 4.33 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 8 A 7.86 3.92 1.21 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 0.00 0.00 9 P 0.00 4.81 0.00 2.08 2.05 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 10 Y 9.13 4.55 0.00 2.78 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 11 L 8.71 4.79 0.00 1.56 1.62 0.91 1.01 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 12 S 9.10 3.92 0.00 3.89 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 13 P 0.00 4.31 0.00 1.21 1.54 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 14 A 8.53 4.14 1.30 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 0.00 0.00 15 V 7.94 4.78 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 0.77 0.00 0.00 0.96 0.00 0.00 16 P 0.00 4.62 0.00 2.05 2.06 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 17 F 9.57 4.91 0.00 3.17 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 18 S 7.33 4.30 0.00 2.72 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 19 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 20 T 8.84 4.89 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 1.30 0.00 0.00 21 I 8.45 4.25 2.03 0.00 0.00 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 1.67 0.96 1.05 0.00 0.00 22 Q 8.39 4.08 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.95 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 23 G 9.13 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 24 G 7.72 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 25 L 8.13 4.06 0.00 1.81 1.52 1.13 1.03 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 26 Q 8.37 4.74 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.11 0.00 0.00 0.00 0.00 0.00 2.56 2.30 0.00 27 D 8.44 4.22 0.00 2.91 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 28 G 9.09 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 29 L 7.50 4.16 0.00 1.87 1.61 1.11 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.72 5.24 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 31 I 9.11 4.96 2.33 0.00 0.00 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 1.75 1.18 0.97 0.00 0.00 32 T 9.16 5.00 4.37 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 1.39 0.00 0.00 33 V 9.74 4.45 2.37 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 1.15 0.00 0.00 1.06 0.00 0.00 34 N 8.25 4.81 0.00 2.04 1.42 0.00 0.00 6.52 8.43 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 35 G 6.61 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 5.04 4.16 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 1.04 0.00 0.00 37 V 8.57 4.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 1.13 0.00 0.00 38 L 8.57 4.44 0.00 1.47 1.51 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.15 4.51 0.00 3.71 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 0.00 40 S 8.68 4.29 0.00 3.85 3.74 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 41 S 8.97 3.58 0.00 3.95 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 42 G 7.93 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.74 4.84 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 1.29 0.00 0.00 44 R 7.97 5.29 0.00 1.68 1.65 0.00 2.98 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 45 F 8.49 5.52 0.00 3.13 3.07 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 46 A 9.13 4.64 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.68 4.60 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 0.37 0.00 0.00 1.14 0.00 0.00 48 N 9.24 5.27 0.00 2.56 2.69 0.00 0.00 6.52 7.73 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 49 F 9.24 5.07 0.00 2.87 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 50 Q 9.25 5.08 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.52 0.00 51 T 8.81 4.35 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 1.32 0.00 0.00 52 G 10.48 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 53 F 8.72 4.79 0.00 2.82 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 54 S 8.17 4.15 0.00 3.98 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 55 G 8.32 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 56 N 8.15 4.41 0.00 2.67 2.80 0.00 0.00 6.77 7.88 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 57 D 8.08 5.10 0.00 2.55 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 58 I 8.58 4.71 1.82 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 1.31 0.67 1.13 0.00 0.00 59 A 8.88 4.31 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 60 F 8.32 5.18 0.00 2.71 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 61 H 9.59 5.18 0.00 3.57 3.57 0.00 5.77 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.37 4.55 0.00 2.25 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 63 N 7.95 4.82 0.00 2.05 2.23 0.00 0.00 7.06 7.37 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 64 P 0.00 3.95 0.00 0.82 1.03 0.00 2.20 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.00 0.00 65 R 8.21 4.31 0.00 0.67 1.23 0.00 2.35 0.00 0.00 2.86 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.10 0.00 66 F 8.96 4.93 0.00 2.86 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 67 E 7.43 4.66 0.00 2.04 1.85 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 2.32 2.33 0.00 68 D 9.99 4.61 0.00 2.89 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 69 G 7.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.34 3.83 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 0.00 0.00 0.00 71 Y 8.32 5.06 0.00 3.11 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 72 V 8.85 4.34 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 0.05 0.00 0.00 0.83 0.00 0.00 73 V 8.09 4.64 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 0.84 0.00 0.00 0.93 0.00 0.00 74 C 9.06 5.69 0.00 3.09 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 75 N 8.30 5.70 0.00 2.77 2.83 0.00 0.00 7.44 7.22 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 76 T 8.97 5.37 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 1.47 0.00 0.00 77 R 9.17 4.68 0.00 0.67 1.15 0.00 2.69 0.00 0.00 2.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 78 Q 8.71 4.60 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.08 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 79 N 9.86 3.96 0.00 2.82 2.81 0.00 0.00 7.38 8.01 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 80 G 8.40 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 81 S 7.48 4.71 0.00 3.87 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 82 W 8.54 4.92 0.00 3.23 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 83 G 8.58 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 0.00 0.00 0.00 0.00 84 P 0.00 4.70 0.00 2.14 2.11 0.00 3.88 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 2.06 2.04 0.00 85 E 8.86 4.40 0.00 1.89 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 2.25 2.33 0.00 86 E 9.33 4.64 0.00 2.17 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 2.34 2.44 0.00 87 R 8.60 5.24 0.00 1.65 1.86 0.00 3.01 0.00 0.00 2.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 88 K 8.90 4.59 0.00 1.73 1.51 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.49 1.35 7.81 89 T 8.52 4.59 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 90 H 8.87 4.11 0.00 3.41 3.42 0.00 5.73 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 7.92 4.00 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.66 0.00 92 P 0.00 4.59 0.00 1.53 1.72 0.00 3.05 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.60 0.00 93 F 7.72 5.05 0.00 2.99 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 94 Q 8.67 4.78 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 95 K 8.58 3.53 0.00 1.63 1.59 0.00 1.76 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.79 0.91 7.81 96 G 8.74 3.89 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 0.00 0.00 0.00 97 M 7.68 4.96 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.80 0.00 98 P 0.00 4.90 0.00 1.99 1.95 0.00 3.71 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 1.97 1.93 0.00 99 F 8.65 5.16 0.00 3.19 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 0.00 100 D 9.80 4.86 0.00 2.72 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 0.00 101 L 9.03 5.02 0.00 2.16 2.00 0.44 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 102 C 8.83 5.27 0.00 2.99 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 0.00 103 F 9.63 5.19 0.00 3.14 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 0.00 104 L 9.27 4.87 0.00 1.75 1.57 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.52 3.59 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.69 0.00 0.00 106 Q 8.95 5.13 0.00 2.26 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 107 S 8.81 4.34 0.00 4.02 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 0.00 108 S 7.95 4.58 0.00 4.23 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 0.00 109 D 7.31 4.55 0.00 2.36 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 0.00 0.00 0.00 110 F 8.89 4.89 0.00 2.70 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 0.00 111 K 9.32 4.64 0.00 1.90 1.69 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.35 7.81 112 V 8.92 4.60 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 1.26 0.00 0.00 113 M 8.74 5.05 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 114 V 8.72 4.45 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 0.41 0.00 0.00 0.61 0.00 0.00 115 N 10.24 4.27 0.00 2.74 2.82 0.00 0.00 7.22 7.58 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 0.00 116 G 8.53 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 0.00 117 I 7.33 4.42 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 1.35 0.90 0.94 0.00 0.00 118 L 8.59 4.36 0.00 1.60 1.63 0.94 0.69 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 0.00 119 F 9.49 5.02 0.00 2.90 3.22 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 0.00 120 V 7.65 4.53 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 -0.03 0.00 0.00 1.29 0.00 0.00 121 Q 8.64 5.16 0.00 1.79 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 122 Y 8.66 4.64 0.00 2.84 2.20 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 0.00 123 F 8.61 4.19 0.00 2.77 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 0.00 124 H 8.44 4.37 0.00 3.25 3.56 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.85 4.57 0.00 1.94 2.05 0.00 3.36 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 126 V 7.58 4.65 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 0.85 0.00 0.00 1.11 0.00 0.00 127 P 0.00 4.31 0.00 2.10 2.04 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 128 F 7.91 5.11 0.00 3.17 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 *129 H 8.43 5.05 0.00 2.93 2.91 0.00 7.21 0.00 0.00 0.00 0.00 5.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.76 4.13 0.00 1.70 1.88 0.00 3.23 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 131 V 8.00 4.31 2.34 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 1.09 0.00 0.00 1.19 0.00 0.00 132 D 8.79 5.17 0.00 2.90 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 0.00 133 T 7.78 5.14 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 0.96 0.00 0.00 134 I 8.86 4.66 1.72 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 1.01 1.18 1.18 0.00 0.00 135 S 8.84 5.02 0.00 3.56 3.53 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 0.00 136 V 9.02 5.08 2.15 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 1.11 0.00 0.00 0.94 0.00 0.00 137 N 9.26 5.03 0.00 2.87 2.85 0.00 0.00 7.00 6.99 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 0.00 138 G 8.77 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 0.00 0.00 0.00 139 S 8.81 4.65 0.00 3.81 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 0.00 140 V 7.38 4.78 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 -0.18 0.00 0.00 0.86 0.00 0.00 141 Q 8.64 4.63 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 142 L 8.18 4.71 0.00 1.63 1.32 0.73 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 143 S 9.06 4.39 0.00 3.50 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 0.00 144 Y 6.87 5.20 0.00 3.10 2.97 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 0.00 0.00 0.00 145 I 8.96 4.98 1.94 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.83 0.00 0.00 146 S 9.11 4.97 0.00 3.83 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 0.00 147 F 8.83 5.61 0.00 2.92 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 0.00 148 Q 9.08 4.25 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.