NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 I 4.1178 8.0249 120.7917 60.8570 39.2240 174.0236 18 K 4.4161 8.3207 121.2318 54.1929 33.8508 174.7571 19 L 4.6102 9.9725 124.4724 54.3629 43.7448 176.8045 20 F 3.2427 9.7502 120.7583 57.9697 36.6175 176.1936 21 G 4.1662 8.4477 111.6065 45.8604 0.0000 175.9258 22 K 3.6650 7.8734 118.1290 58.3918 32.2953 177.2174 23 W 4.8963 8.3170 118.1119 54.7112 31.8946 174.8258 24 S 4.9884 8.6013 114.6899 56.6232 64.0575 174.8871 25 T 4.1456 8.6419 122.3089 64.4801 67.6157 175.4863 26 D 4.4349 7.5627 120.5482 57.8014 40.9494 177.8891 27 D 4.4789 8.0272 117.2549 56.6623 41.2223 177.2132 28 V 3.9009 7.7678 119.0177 62.7845 32.0498 175.0114 29 Q 4.5683 8.8511 124.8194 54.0905 31.2559 175.4961 30 I 4.3375 8.0967 123.1026 59.5153 37.7906 175.1822 31 N 4.3984 8.6811 124.1340 55.8635 39.0030 176.3764 32 D 4.3885 7.9990 118.3297 54.0949 41.8854 176.4185 33 I 3.7316 8.3906 127.7892 64.1890 38.2263 177.4720 34 S 4.3312 8.4522 114.6151 61.4401 63.0937 176.1118 35 L 4.3416 8.0789 122.1491 56.9102 41.3704 178.8123 36 Q 4.0348 7.8860 117.1771 59.6865 28.3883 178.4639 37 D 4.3631 8.0359 119.1474 57.2219 40.9339 177.9352 38 Y 4.2077 7.8973 115.7397 59.2744 38.1166 175.9529 39 I 4.1312 7.4336 121.1287 60.5569 37.5185 175.0717 40 A 4.3931 8.5072 128.6053 52.3820 18.8004 176.3595 *63 K 5.0041 8.1683 117.7285 58.1230 33.5864 174.9991 64 A 4.6820 8.6272 124.7643 51.1258 22.9843 175.1199 65 Q 4.3811 8.5815 119.5862 54.0179 31.8156 175.2079 66 C 4.3537 9.1665 127.0150 62.0420 31.5800 173.2860 67 P 4.5037 0.0000 0.0000 65.6693 31.0054 178.5256 68 I 3.7572 7.6915 111.0552 64.1911 37.7148 178.1009 69 V 3.7564 8.4468 120.8058 65.5618 31.3528 177.5461 70 E 4.0543 9.1357 120.0510 59.4691 29.4162 179.0591 71 R 3.9913 7.8436 118.1516 58.9437 30.0135 178.6705 72 L 3.9650 8.3898 120.6510 58.6219 42.1088 179.0573 73 T 3.9250 8.4953 113.3037 65.2229 67.2744 175.8255 74 N 4.3846 8.4027 118.5485 56.3014 38.4306 177.3209 75 S 4.1161 8.3238 114.7940 61.7579 62.3879 176.1799 76 M 4.0208 8.4349 121.8024 58.4064 31.4157 178.3838 77 M 4.0323 8.1692 118.0763 58.9678 32.4953 177.9564 78 M 4.2215 7.9458 117.6443 58.5817 32.1993 178.2972 79 H 4.4072 8.1361 115.2954 55.9308 29.1888 176.3395 80 G 4.7385 6.7939 124.2635 45.2503 0.0000 172.0075 81 R 3.8166 7.8313 128.0243 55.2213 30.0267 174.0813 82 N 4.2000 8.8383 125.5866 54.4620 38.9242 173.9648 83 N 4.1405 8.6769 125.3604 52.3292 35.6125 175.3276 84 G 4.6465 7.5708 112.2958 44.3390 0.0000 170.9422 85 K 3.9808 8.2260 126.5066 58.0298 31.6938 179.3429 86 K 3.9207 8.7202 124.8511 60.2293 33.3682 177.5183 87 L 4.0560 7.8226 118.6992 57.8571 41.5933 179.2866 88 M 4.0666 7.9912 118.4033 58.6530 31.9566 178.4521 89 T 3.9464 7.7185 113.2137 65.0033 67.5055 176.5525 90 V 3.8418 7.8435 121.1240 65.0726 31.3570 178.6728 91 R 4.0551 8.3021 119.3158 58.6760 29.8624 179.0688 92 I 3.7126 8.3646 113.4125 64.0506 37.5706 178.5093 93 V 3.5535 7.8122 120.2736 65.3614 31.3325 177.8801 94 K 3.0831 7.8618 119.3122 59.6158 32.1004 178.2910 95 H 4.1919 8.5734 118.4942 59.0907 29.7235 176.9978 96 A 4.0578 8.2084 122.8025 55.1780 18.2907 179.5215 97 F 3.7453 8.3907 116.2233 60.7782 38.9573 177.7944 98 E 4.2377 8.2721 118.1281 59.3936 29.1818 179.5503 99 I 3.6755 7.7548 119.8191 64.5992 37.2775 178.6828 100 I 3.6751 7.8685 120.4812 64.1711 36.7326 178.0309 101 H 4.2789 7.9133 118.9721 59.2960 29.5065 177.2949 102 L 3.8151 7.4826 119.1306 57.5871 41.5403 179.0882 103 L 4.0751 7.8066 119.1706 58.4645 42.2166 178.7979 104 T 4.1045 8.1928 108.8326 63.0638 68.9893 175.7920 105 G 3.8843 8.6670 107.9272 45.1573 0.0000 172.0707 106 E 4.6810 7.7279 118.2607 53.4463 32.7394 175.6055 107 N 4.3714 8.3560 118.0172 52.7093 40.1872 172.9024 108 P 3.7152 0.0000 0.0000 66.0898 30.9766 178.2900 109 L 3.5733 7.1664 120.4083 57.3331 41.9526 178.7105 110 Q 3.9025 7.9600 119.6150 59.1508 28.9934 178.6395 111 V 3.5858 7.6385 120.1851 64.3895 31.3294 178.0580 112 L 3.7769 7.8118 121.2293 58.0513 41.8282 179.1125 113 V 3.5266 7.7386 118.0868 65.9546 31.3223 177.5029 114 N 4.2444 8.1329 116.6047 56.5457 38.7449 176.7113 115 A 3.9983 8.0257 122.2901 55.1431 18.4880 179.4668 116 I 3.6253 8.4414 117.7668 64.1440 37.8679 178.1523 117 I 3.7306 7.8829 113.5593 64.0407 37.4389 177.6307 118 N 4.4795 8.2318 118.0518 55.2368 37.6734 176.6223 119 S 4.4815 8.3812 114.4903 58.1603 62.4519 173.2971 120 G 4.1563 7.4114 111.4081 43.8136 0.0000 171.9863 121 P 4.5639 0.0000 0.0000 62.5554 32.0504 177.0216 122 R 4.0438 8.5536 119.9360 58.4335 30.2379 175.9260 123 E 4.7444 7.2813 114.7284 55.9772 33.7867 173.5936 124 D 5.0630 8.4563 120.2761 52.9803 45.3312 173.7255 125 S 5.1371 8.4459 111.9806 57.3175 66.5125 173.4108 126 T 4.7801 9.1642 117.4803 61.7167 71.8343 173.1197 127 R 5.1886 8.6391 122.2592 54.4718 31.9596 175.4570 128 I 4.4157 8.6643 115.4843 59.1450 40.4357 174.4339 129 G 4.3191 8.8657 115.0268 44.7303 0.0000 172.5706 130 R 4.6118 8.0612 124.6534 54.7808 32.7364 178.4327 131 A 3.6894 8.5711 123.5930 52.1036 16.4865 178.0300 132 G 3.6982 8.8735 101.4251 48.3673 0.0000 173.4632 133 T 4.6929 7.6531 108.5545 59.6560 72.3160 173.3474 134 V 4.6321 8.2243 121.4574 61.6113 33.5426 174.9310 135 R 4.7821 8.9763 124.7653 54.4248 33.5286 174.6686 136 R 5.0617 8.4842 121.0593 54.5870 32.8089 174.9924 137 Q 4.6456 8.7204 122.5805 54.1328 31.8529 174.3056 138 A 4.5864 8.7024 125.2470 52.0723 19.4027 176.5636 139 V 4.4208 8.8771 120.5855 61.2171 36.1835 175.6883 140 D 4.6882 8.1995 123.2310 53.5810 43.0423 174.8851 *142 S 4.9030 8.1572 111.8736 57.7637 64.5438 173.4478 143 P 3.9753 0.0000 0.0000 65.4258 30.8327 179.1151 144 L 3.9990 7.5022 117.4332 57.7887 41.6335 179.5706 145 R 3.8960 7.8117 117.6318 59.0706 30.0641 178.8564 146 R 3.8461 7.9762 118.6843 59.2919 30.0375 178.7577 147 V 3.5786 7.5531 117.5783 66.1018 31.4982 177.5496 148 N 4.3631 8.4076 117.1705 56.6818 38.7140 176.6238 149 Q 3.9613 8.7541 121.1571 59.0918 29.1706 178.0519 150 A 4.3379 8.4071 123.4231 54.6524 18.3897 179.6714 151 I 3.7230 8.0581 111.8227 63.7974 37.5503 178.2638 152 W 4.1507 8.5338 131.7771 59.7877 30.5235 178.0336 153 L 4.4236 8.6208 119.1322 57.8404 41.0500 179.5562 154 L 4.0654 8.1701 119.3918 57.8566 41.5767 179.3001 155 C 4.0408 8.1981 114.6879 61.3974 29.4507 175.8968 156 T 3.3265 7.7377 115.9989 64.5177 66.8585 176.4313 157 G 3.9084 8.3152 107.8297 47.1072 0.0000 175.5500 158 A 3.9774 8.0206 123.4125 54.8260 18.3989 179.7150 159 R 3.8259 8.3326 117.9354 59.3515 30.1187 178.6049 160 E 3.9077 8.3661 117.5278 59.4120 29.5424 178.9803 161 A 3.9705 8.0495 121.8038 54.6391 18.2062 179.4547 162 A 3.9130 7.9389 118.3172 55.2123 18.5489 179.3071 163 F 4.0866 8.0029 118.0283 61.4625 39.5724 177.0544 164 R 4.0967 8.0526 117.0968 59.1669 30.2747 175.1560 165 N 5.1502 8.0706 114.6172 51.0509 41.6989 173.7498 166 I 3.7746 8.2838 117.7724 64.2398 38.2451 177.2717 167 K 4.1231 7.8727 118.5091 56.8362 32.4983 177.1608 168 T 4.2875 8.2787 113.4633 60.9597 71.0577 176.1578 169 I 3.6597 8.1761 121.3127 64.5020 37.0143 178.5268 170 A 4.0181 7.9360 121.0492 55.2724 18.2237 179.4106 171 E 3.9372 8.1325 116.6747 59.7387 29.4392 179.4035 172 C 4.1371 8.3021 116.9421 62.6530 28.1903 175.9376 173 L 3.9118 8.3063 122.1169 57.9337 41.6431 178.8561 174 A 3.9433 8.1830 121.0416 55.1621 18.1189 179.1113 175 D 4.2372 8.0574 115.4521 57.5706 41.4012 177.9751 176 E 4.1280 8.2344 118.1959 59.4561 29.7731 179.0873 177 L 4.1843 7.9932 119.0151 57.5789 41.5838 179.9715 178 I 3.8112 7.7592 117.1852 61.7157 36.7555 177.8531 *180 A 4.1880 8.0052 124.5291 52.2253 20.2740 179.7897 181 A 4.0579 7.9457 117.3993 55.1641 18.5510 178.9617 182 K 3.9789 8.1021 116.4681 57.5818 32.3660 177.0018 183 G 3.7870 8.1120 106.6454 46.3873 0.0000 173.0833 184 S 4.6561 7.9125 113.7136 56.0892 65.0911 175.5421 185 S 4.2841 8.3405 121.0028 58.0312 61.3524 174.9040 *187 S 4.3918 7.6448 113.9219 58.8988 64.4323 172.2550 188 Y 4.0112 8.8924 129.3715 60.7944 38.7219 178.0626 189 A 3.9568 7.9417 120.3420 55.1621 18.5283 179.4825 190 I 3.6163 7.4824 117.0560 63.9847 38.1003 178.2431 191 K 3.9236 8.0657 119.8273 59.8826 32.3024 179.0966 192 K 3.7503 8.0510 121.2597 58.8250 32.0115 178.6657 193 K 3.8551 7.9785 120.0484 59.6271 32.0024 178.5362 194 D 4.3220 8.0730 119.1515 57.1159 40.6900 178.3221 195 E 3.8741 8.1018 119.8049 59.2941 29.6458 178.9149 196 L 3.9483 8.0003 119.0155 57.9828 41.7274 179.4912 197 E 3.9528 8.1734 118.5321 59.1122 29.3429 179.3662 198 R 3.8712 8.2953 119.5090 59.3691 30.1639 179.0011 199 V 3.6041 7.8253 118.7885 64.6952 31.1507 178.1960 200 A 3.9500 7.8447 120.5728 54.9042 18.3494 179.5122 201 K 4.0532 8.3144 116.1341 59.4262 32.1186 179.2690 202 S 4.3316 7.8782 112.8375 60.1341 63.4849 174.8306 203 N 4.7346 7.8881 121.1954 51.6223 37.0877 174.4413 204 R 4.1643 7.9144 123.8143 55.7934 30.5491 175.0582 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 17 I 8.02 4.12 1.89 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 1.43 1.35 0.95 0.00 0.00 18 K 8.32 4.42 0.00 1.88 1.77 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.53 7.81 19 L 9.97 4.61 0.00 2.03 1.95 1.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.75 3.24 0.00 3.44 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 21 G 8.45 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 22 K 7.87 3.67 0.00 0.80 0.74 0.00 1.19 0.00 0.00 1.41 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 0.69 7.81 23 W 8.32 4.90 0.00 3.63 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 24 S 8.60 4.99 0.00 3.86 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 25 T 8.64 4.15 4.57 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 1.26 0.00 0.00 26 D 7.56 4.43 0.00 2.84 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 27 D 8.03 4.48 0.00 2.70 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 28 V 7.77 3.90 2.19 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 0.78 0.00 0.00 0.95 0.00 0.00 29 Q 8.85 4.57 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 30 I 8.10 4.34 1.88 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 1.42 0.59 0.99 0.00 0.00 31 N 8.68 4.40 0.00 2.69 2.88 0.00 0.00 7.11 8.06 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 32 D 8.00 4.39 0.00 2.71 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 33 I 8.39 3.73 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.95 0.93 0.00 0.00 34 S 8.45 4.33 0.00 4.07 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 35 L 8.08 4.34 0.00 1.75 1.80 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.89 4.03 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.63 2.42 0.00 37 D 8.04 4.36 0.00 2.29 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 0.00 0.00 0.00 0.00 38 Y 7.90 4.21 0.00 3.14 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 I 7.43 4.13 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.97 0.00 0.00 40 A 8.51 4.39 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 *63 K 8.17 5.00 0.00 2.27 1.78 0.00 1.93 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.71 7.81 64 A 8.63 4.68 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.58 4.38 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.34 0.00 66 C 9.17 4.35 0.00 3.12 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.50 0.00 2.41 2.13 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 68 I 7.69 3.76 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 1.66 1.16 0.99 0.00 0.00 69 V 8.45 3.76 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 1.31 0.00 0.00 1.31 0.00 0.00 70 E 9.14 4.05 0.00 2.17 2.19 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 2.35 2.39 0.00 71 R 7.84 3.99 0.00 2.07 2.03 0.00 3.25 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 72 L 8.39 3.96 0.00 1.83 2.06 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.50 3.92 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 74 N 8.40 4.38 0.00 3.00 2.90 0.00 0.00 6.64 7.19 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 75 S 8.32 4.12 0.00 4.02 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 76 M 8.43 4.02 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.82 0.00 77 M 8.17 4.03 0.00 2.13 2.21 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 2.63 2.60 0.00 78 M 7.95 4.22 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.62 0.00 79 H 8.14 4.41 0.00 2.95 3.24 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 6.79 4.74 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 0.00 0.00 0.00 81 R 7.83 3.82 0.00 1.83 2.13 0.00 3.49 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 82 N 8.84 4.20 0.00 2.74 2.82 0.00 0.00 7.27 7.79 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 83 N 8.68 4.14 0.00 2.91 2.85 0.00 0.00 7.01 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 84 G 7.57 4.65 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 0.00 0.00 0.00 85 K 8.23 3.98 0.00 1.82 1.63 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.50 7.81 86 K 8.72 3.92 0.00 1.87 1.79 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.58 7.81 87 L 7.82 4.06 0.00 1.73 1.71 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 88 M 7.99 4.07 0.00 2.06 2.48 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 2.70 2.65 0.00 89 T 7.72 3.95 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 1.34 0.00 0.00 90 V 7.84 3.84 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 0.89 0.00 0.00 0.82 0.00 0.00 91 R 8.30 4.06 0.00 2.03 2.06 0.00 3.32 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 92 I 8.36 3.71 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.73 1.02 0.00 0.00 93 V 7.81 3.55 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 0.66 0.00 0.00 1.05 0.00 0.00 94 K 7.86 3.08 0.00 2.00 2.00 0.00 1.99 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.63 7.81 95 H 8.57 4.19 0.00 3.32 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.21 4.06 1.52 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 0.00 0.00 0.00 97 F 8.39 3.75 0.00 2.92 2.13 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 98 E 8.27 4.24 0.00 2.15 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 0.00 2.63 2.62 0.00 99 I 7.75 3.68 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.91 0.00 0.00 100 I 7.87 3.68 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.37 0.82 0.00 0.00 101 H 7.91 4.28 0.00 3.32 3.59 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.48 3.82 0.00 1.80 1.68 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.81 4.08 0.00 1.62 1.66 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.19 4.10 4.21 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 1.20 0.00 0.00 105 G 8.67 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 0.00 106 E 7.73 4.68 0.00 1.90 1.83 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 2.22 2.18 0.00 107 N 8.36 4.37 0.00 2.73 2.62 0.00 0.00 6.61 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 3.72 0.00 0.79 1.17 0.00 3.53 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.44 0.00 109 L 7.17 3.57 0.00 1.75 1.95 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.96 3.90 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 111 V 7.64 3.59 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 0.60 0.00 0.00 0.84 0.00 0.00 112 L 7.81 3.78 0.00 1.58 1.71 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.74 3.53 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 1.01 0.00 0.00 0.93 0.00 0.00 114 N 8.13 4.24 0.00 2.77 2.86 0.00 0.00 7.09 7.59 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 0.00 115 A 8.03 4.00 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 0.00 116 I 8.44 3.63 1.87 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 1.59 1.34 0.97 0.00 0.00 117 I 7.88 3.73 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.70 0.94 0.00 0.00 118 N 8.23 4.48 0.00 2.86 2.97 0.00 0.00 6.99 7.95 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 0.00 119 S 8.38 4.48 0.00 3.94 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 0.00 120 G 7.41 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 0.00 0.00 0.00 0.00 121 P 0.00 4.56 0.00 2.16 2.03 0.00 3.72 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 1.95 1.95 0.00 122 R 8.55 4.04 0.00 1.83 2.01 0.00 3.23 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 123 E 7.28 4.74 0.00 1.76 1.77 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 2.12 2.20 0.00 124 D 8.46 5.06 0.00 2.65 2.45 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 0.00 125 S 8.45 5.14 0.00 3.92 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 0.00 126 T 9.16 4.78 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 1.20 0.00 0.00 127 R 8.64 5.19 0.00 1.78 1.89 0.00 2.96 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 128 I 8.66 4.42 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.15 0.90 0.00 0.00 129 G 8.87 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 0.00 0.00 0.00 0.00 130 R 8.06 4.61 0.00 1.88 1.83 0.00 3.42 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 131 A 8.57 3.69 1.33 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 0.00 0.00 0.00 0.00 0.00 132 G 8.87 3.70 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 0.00 0.00 0.00 133 T 7.65 4.69 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 134 V 8.22 4.63 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 0.85 0.00 0.00 0.92 0.00 0.00 135 R 8.98 4.78 0.00 1.80 1.77 0.00 3.12 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 136 R 8.48 5.06 0.00 1.75 1.90 0.00 3.21 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 137 Q 8.72 4.65 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.53 2.27 0.00 138 A 8.70 4.59 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.88 4.42 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 0.91 0.00 0.00 1.00 0.00 0.00 140 D 8.20 4.69 0.00 2.70 2.54 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 S 8.16 4.90 0.00 3.89 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 3.98 0.00 0.49 1.26 0.00 3.36 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 1.42 1.84 0.00 144 L 7.50 4.00 0.00 1.66 1.72 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.81 3.90 0.00 1.94 1.93 0.00 3.26 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 146 R 7.98 3.85 0.00 1.93 2.03 0.00 3.07 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 147 V 7.55 3.58 2.26 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 0.98 0.00 0.00 1.02 0.00 0.00 148 N 8.41 4.36 0.00 2.81 2.93 0.00 0.00 6.92 7.49 0.00 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0.00 0.00 0.00 0.00 1.22 0.00 0.00 157 G 8.32 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 0.00 0.00 0.00 158 A 8.02 3.98 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.33 3.83 0.00 1.84 1.98 0.00 3.04 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 160 E 8.37 3.91 0.00 2.15 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 2.32 2.22 0.00 161 A 8.05 3.97 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 0.00 162 A 7.94 3.91 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 0.00 163 F 8.00 4.09 0.00 3.03 3.23 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 0.00 164 R 8.05 4.10 0.00 1.99 2.14 0.00 3.36 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 165 N 8.07 5.15 0.00 2.76 2.71 0.00 0.00 7.02 7.89 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 0.00 166 I 8.28 3.77 1.85 0.00 0.00 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 1.39 1.00 0.90 0.00 0.00 167 K 7.87 4.12 0.00 1.78 1.74 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.44 7.81 168 T 8.28 4.29 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 1.19 0.00 0.00 169 I 8.18 3.66 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.69 0.91 0.00 0.00 170 A 7.94 4.02 1.42 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 0.00 0.00 0.00 171 E 8.13 3.94 0.00 2.21 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 2.36 2.38 0.00 172 C 8.30 4.14 0.00 3.10 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 0.00 173 L 8.31 3.91 0.00 1.75 1.91 0.93 1.23 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 0.00 174 A 8.18 3.94 1.39 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 0.00 0.00 0.00 175 D 8.06 4.24 0.00 2.76 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 0.00 176 E 8.23 4.13 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 2.36 2.51 0.00 177 L 7.99 4.18 0.00 1.82 1.63 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 178 I 7.76 3.81 1.97 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 1.40 0.77 0.88 0.00 0.00 *180 A 8.01 4.19 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 0.00 181 A 7.95 4.06 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 0.00 182 K 8.10 3.98 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.42 7.81 183 G 8.11 3.79 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 0.00 0.00 0.00 184 S 7.91 4.66 0.00 3.98 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 0.00 185 S 8.34 4.28 0.00 3.99 3.97 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 *187 S 7.64 4.39 0.00 4.00 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 0.00 188 Y 8.89 4.01 0.00 3.18 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 0.00 189 A 7.94 3.96 1.39 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 0.00 0.00 0.00 190 I 7.48 3.62 1.92 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 1.72 1.58 0.94 0.00 0.00 191 K 8.07 3.92 0.00 2.01 2.25 0.00 0.98 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 192 K 8.05 3.75 0.00 1.23 1.60 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.50 7.81 193 K 7.98 3.86 0.00 2.02 1.94 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.75 7.81 194 D 8.07 4.32 0.00 2.85 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 0.00 195 E 8.10 3.87 0.00 1.98 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 0.00 2.28 2.33 0.00 196 L 8.00 3.95 0.00 1.65 1.66 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.17 3.95 0.00 2.00 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 2.30 2.41 0.00 198 R 8.30 3.87 0.00 1.93 2.04 0.00 3.08 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 199 V 7.83 3.60 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 0.82 0.00 0.00 0.92 0.00 0.00 200 A 7.84 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 K 8.31 4.05 0.00 1.67 1.88 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.60 7.81 202 S 7.88 4.33 0.00 3.95 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 0.00 203 N 7.89 4.73 0.00 2.72 2.70 0.00 0.00 6.99 7.23 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 0.00 204 R 7.91 4.16 0.00 1.86 1.71 0.00 3.36 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.