NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.3600 8.3231 115.4121 58.1088 64.2789 172.1032 30 G 3.7209 8.3019 109.7599 44.2540 0.0000 171.5631 31 I 3.6293 8.4091 119.9009 61.7804 38.2358 173.9799 32 S 4.7046 8.6007 119.3085 56.5492 64.0527 173.1717 33 L 4.3209 8.6346 127.0036 54.5413 43.2014 176.2369 34 D 4.3632 7.8643 116.2474 55.5070 37.9375 173.5845 35 N 4.6682 7.9524 113.8516 53.4692 39.9494 176.0020 36 S 4.6996 7.4825 111.7603 55.8505 65.9843 173.5101 37 Y 4.2148 8.3387 119.7910 58.0169 38.1976 176.2577 38 K 4.2279 8.8569 124.5151 56.9757 32.0749 176.2259 39 M 4.8900 8.7721 125.9908 55.2577 32.5699 175.8356 40 D 4.9434 7.9303 116.5959 53.2132 39.9172 175.9133 41 Y 4.1812 7.7504 117.0447 57.7988 38.5073 174.4308 42 P 4.4211 0.0000 0.0000 65.1103 31.7711 177.0065 43 E 4.7718 8.2010 116.2441 54.4113 32.9955 176.9140 44 M 3.8022 8.3375 121.9542 58.4327 32.4390 175.7097 45 G 4.4709 7.3932 102.3158 44.2243 0.0000 172.0318 46 L 4.9251 8.5123 118.7942 54.1866 43.8077 176.2516 47 C 4.5481 8.7920 121.8376 57.5529 33.9056 172.2955 48 I 4.4746 8.1917 128.2420 60.2254 38.3964 175.0475 49 I 4.5458 8.7855 129.4238 59.7038 39.3307 175.0664 50 I 4.6647 8.8462 129.9772 59.9344 38.7124 174.8271 51 N 4.9941 9.3652 128.5134 52.1190 40.1292 173.3059 52 N 4.9041 8.8214 125.0806 51.9001 39.1930 174.6199 53 K 4.3753 9.4164 126.0891 56.9443 33.8256 175.7226 54 N 5.2482 8.0679 115.0204 51.3494 40.4160 173.9193 55 F 4.8339 8.6652 121.0714 55.3312 42.0404 175.1468 56 H 4.3189 9.1269 121.0484 55.8678 29.3536 176.4700 57 K 3.8511 9.1375 125.6671 59.7312 31.9475 178.6626 58 S 4.2581 8.1227 111.3703 60.8479 62.9585 175.2539 59 T 3.9898 8.1748 111.5809 62.3729 68.9135 176.0305 60 G 3.8570 8.1257 108.7230 45.8125 0.0000 173.0079 61 M 3.9991 7.5874 119.6050 54.1316 32.7021 176.6548 62 T 4.2206 7.8938 113.3467 60.8838 69.9998 174.4373 63 S 4.7220 8.4149 117.3288 58.8414 64.2132 175.2099 64 R 4.3927 8.7009 123.8760 54.1699 28.4731 175.3037 65 S 4.3092 7.9552 114.9472 59.7244 64.0134 175.9394 66 G 3.9950 8.9218 111.8401 45.9010 0.0000 175.1870 67 T 3.9086 7.7481 113.4992 65.1494 67.1653 175.7546 68 D 4.3467 8.0833 120.6577 57.0307 40.8317 178.5702 69 V 3.5904 7.6224 118.6670 66.0264 31.4712 177.8603 70 D 4.3140 7.9857 117.8660 57.3151 40.8054 178.3184 71 A 3.9674 8.3226 121.3576 55.2602 18.3776 179.6169 72 A 3.9648 8.2110 119.2792 55.1419 18.3599 179.3539 73 N 4.2442 8.1958 115.6483 56.8654 38.9793 177.1640 74 L 4.0921 8.1612 120.4821 57.6961 41.7334 179.3477 75 R 3.9125 8.1010 118.6787 59.5086 30.0278 178.2454 76 E 3.9303 8.2359 118.9703 59.4862 29.7361 178.7325 77 T 3.7302 8.1497 116.0782 66.8907 68.5664 176.6632 78 F 4.1506 8.4286 119.2311 59.8475 38.8510 177.9367 79 R 3.9950 7.9832 119.0015 59.5271 29.7381 178.1098 80 N 4.5086 8.1104 114.3878 55.0890 38.5908 176.2286 81 L 4.4777 7.1749 118.2559 53.7748 42.0546 176.5509 82 K 3.9568 7.9806 117.3107 57.5631 29.7831 175.4653 83 Y 4.3685 8.0879 115.7719 57.2081 39.5163 175.9556 84 E 4.3051 9.2866 124.8991 55.4415 29.7743 174.9388 85 V 4.4604 8.1994 126.4475 62.3380 32.9507 175.1762 86 R 4.5956 9.0083 126.3166 54.6132 33.3442 173.8931 87 N 5.3109 8.8265 121.7682 51.7290 40.4800 174.8385 88 K 4.6988 9.2343 122.5818 54.6257 35.9615 174.9387 89 N 5.2700 8.7209 120.8195 52.1320 41.4707 174.3480 90 D 4.1867 8.2610 119.7236 55.2889 38.8315 173.1917 91 L 4.7274 8.7371 120.5566 53.2863 43.9271 177.5458 92 T 4.7820 9.2841 115.8599 60.4817 71.1392 175.9614 93 R 3.9678 9.5268 118.7472 59.6055 29.1979 178.9164 94 E 4.0065 8.1057 118.7141 59.2847 29.5061 179.0128 95 E 4.0230 8.2345 118.6113 59.1516 29.4778 179.4903 96 I 3.7265 7.9051 120.0409 64.4301 37.1958 178.6263 97 V 3.7680 7.7279 118.7361 65.9736 31.2840 177.6613 98 E 3.8148 8.3441 119.1337 58.9846 29.4082 178.4373 99 L 3.8950 8.2289 120.7173 58.6016 42.1861 178.8554 100 M 4.2062 8.1000 118.5007 58.3247 31.6736 178.7882 101 R 2.5100 7.1216 117.6958 59.0832 30.3439 177.9997 102 D 4.3581 7.9957 118.8575 57.3366 40.8336 179.0256 103 V 3.6413 8.1044 119.4232 65.9098 31.3714 178.1555 104 S 3.9225 7.7821 112.6903 60.2574 62.8323 175.5274 105 K 4.2526 7.1599 120.2638 55.7433 32.3859 176.5586 106 E 4.0505 7.1758 119.2348 55.8530 30.0682 176.1284 107 D 4.5563 8.2822 120.2659 53.9693 40.8267 175.1641 108 H 4.7758 9.0390 124.2049 55.7284 29.0489 177.4549 109 S 4.0667 8.5546 118.7651 61.8763 62.8242 175.8157 110 K 4.5478 8.0531 116.7914 56.4488 32.0269 175.6244 111 R 5.0153 7.5514 118.8523 54.6236 31.2804 176.9179 112 S 4.1581 9.1089 120.4374 61.6001 63.8563 173.8289 113 S 4.6444 8.1151 112.5749 57.7023 66.6206 173.0032 114 F 5.0921 8.7894 120.6900 56.8028 42.8958 173.9545 115 V 4.0826 7.3838 124.3925 60.8305 34.9312 173.5609 116 C 4.5946 8.0572 127.2756 57.3076 34.8619 172.3963 117 V 4.6869 8.8959 126.3711 60.9876 33.8408 173.9677 118 L 5.0135 9.1194 128.0877 52.9869 44.5099 175.4013 119 L 5.0163 8.3796 124.7467 53.9553 43.7758 175.6439 120 S 4.9217 8.3383 118.3079 58.2282 67.2759 174.8012 121 H 4.4496 8.7931 117.5451 55.8706 30.0395 174.7307 122 G 4.4776 8.0463 105.9341 46.6857 0.0000 171.2936 123 E 4.9706 8.2934 118.7226 54.1573 34.7666 174.9058 124 E 3.9543 8.8385 121.3014 58.0493 29.8318 176.9121 125 G 3.9610 9.0830 113.3260 45.7641 0.0000 172.2256 126 I 5.0209 7.9470 119.9463 59.2123 41.5445 174.2054 127 I 4.7154 8.4766 124.7858 59.2875 41.3423 173.9070 128 F 4.9490 9.0784 128.1101 56.3431 39.7569 176.5478 129 G 4.0537 9.5592 114.2335 44.5088 0.0000 174.4987 130 T 3.8576 8.6466 109.2834 63.4966 68.7032 175.5278 131 N 4.9640 8.9435 116.9729 51.2043 38.0183 173.9330 132 G 4.1944 7.1189 108.4943 44.9892 0.0000 170.0036 133 P 4.3742 0.0000 0.0000 62.1904 32.7176 176.0098 134 V 4.3724 8.3260 120.3744 61.0421 35.0727 174.3021 135 D 4.7168 8.6696 127.9757 54.1776 41.3995 177.4816 136 L 3.9501 8.8722 124.0212 57.7876 41.6252 179.7206 137 K 3.8633 7.8942 120.4387 58.7145 31.8584 178.5962 138 K 3.7460 7.5598 118.9300 59.2336 32.4302 178.7388 139 I 4.1601 7.5239 119.9032 64.7932 37.1502 178.4459 140 T 3.9071 8.0066 110.5793 64.5728 68.5658 176.2563 141 N 4.3267 8.1649 119.5480 56.2653 38.2309 177.0852 142 F 4.2230 7.3045 117.5583 59.7161 38.8935 176.0524 143 F 4.6265 7.8050 114.8851 56.8876 39.2250 176.2026 144 R 4.0955 7.8723 121.2828 56.2433 30.4105 177.8720 145 G 3.7741 8.8315 109.8189 48.4331 0.0000 174.0443 146 D 4.6594 8.0080 116.5690 53.6712 40.2688 177.0167 147 R 4.4058 7.9864 118.0249 56.6460 31.6038 176.0442 148 C 4.6816 7.5076 117.4371 56.7083 31.7792 173.8841 149 R 4.4383 8.4506 123.5885 58.0856 30.1348 178.5982 150 S 4.4800 8.0303 109.6523 59.2256 63.4051 174.2217 151 L 4.6233 7.8868 120.3273 54.4930 43.2092 176.4616 152 T 4.0026 7.5374 117.1147 65.0804 68.6949 175.3944 153 G 4.1322 9.0301 113.3692 45.4898 0.0000 173.1653 154 K 4.5528 7.7774 118.8878 53.3080 34.6808 174.2000 155 P 4.1060 0.0000 0.0000 62.7586 32.4304 175.0986 156 K 4.6566 8.6844 123.1578 54.7549 34.4185 175.1927 157 L 4.6419 8.7430 126.4836 52.8616 43.8822 175.7462 158 F 4.8873 8.8834 122.4542 55.7153 41.4917 174.7180 159 I 4.3613 8.6575 125.9673 59.7038 39.0221 174.9690 160 I 4.7624 8.4713 128.3068 59.7847 39.3666 175.5097 161 Q 4.4804 8.8485 130.8586 54.9518 29.2859 173.9654 162 A 4.8617 7.8495 124.4281 51.4388 21.8270 175.5204 163 C 4.3002 8.9966 117.4395 59.9181 29.0148 174.0062 164 R 4.7181 9.6819 118.6119 54.3639 31.2211 176.7272 165 G 3.8838 6.9816 105.2562 45.8855 0.0000 172.8477 166 T 4.5084 7.8911 110.4933 61.1457 69.5286 174.1534 167 E 4.1805 8.0400 121.6105 56.5426 30.1550 175.9792 168 L 4.6610 8.1785 121.0114 52.8942 44.5748 175.7820 169 D 4.6602 8.5656 123.0223 52.9430 41.1356 175.9929 170 C 4.1130 8.7088 122.4476 58.7701 30.1034 174.6541 171 G 3.9793 8.4839 110.5623 44.7535 0.0000 172.5662 172 I 4.5765 7.7854 117.2946 58.7601 40.8995 174.4369 173 E 4.0403 8.8621 127.1391 56.9359 29.8325 176.2997 174 T 4.3952 8.1718 114.2353 60.4375 71.6244 174.7275 *175 D 4.4254 8.4244 118.9649 53.5633 40.5341 172.3622 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 29 S 8.32 4.36 0.00 3.99 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 30 G 8.30 3.72 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 0.00 0.00 0.00 31 I 8.41 3.63 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 1.30 0.57 0.91 0.00 0.00 32 S 8.60 4.70 0.00 3.78 3.72 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 33 L 8.63 4.32 0.00 1.65 1.68 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.86 4.36 0.00 2.78 2.69 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 35 N 7.95 4.67 0.00 2.68 2.82 0.00 0.00 6.98 7.57 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 36 S 7.48 4.70 0.00 3.95 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 37 Y 8.34 4.21 0.00 3.08 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 38 K 8.86 4.23 0.00 1.80 1.97 0.00 1.58 0.00 0.00 1.46 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.48 7.81 39 M 8.77 4.89 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 40 D 7.93 4.94 0.00 2.73 2.71 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 0.00 0.00 0.00 0.00 41 Y 7.75 4.18 0.00 3.15 3.16 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 42 P 0.00 4.42 0.00 2.09 2.16 0.00 4.02 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 2.10 2.16 0.00 43 E 8.20 4.77 0.00 2.11 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 0.00 2.20 2.25 0.00 44 M 8.34 3.80 0.00 0.73 1.66 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.29 0.00 45 G 7.39 4.47 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 46 L 8.51 4.93 0.00 1.86 1.68 1.15 0.74 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 47 C 8.79 4.55 0.00 2.46 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 48 I 8.19 4.47 1.76 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.93 0.00 0.00 49 I 8.79 4.55 1.81 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 1.06 0.52 0.87 0.00 0.00 50 I 8.85 4.66 1.89 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 1.13 0.69 0.93 0.00 0.00 51 N 9.37 4.99 0.00 2.76 2.90 0.00 0.00 6.75 6.72 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 52 N 8.82 4.90 0.00 2.80 2.25 0.00 0.00 6.80 7.02 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 53 K 9.42 4.38 0.00 1.74 1.74 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.60 7.81 54 N 8.07 5.25 0.00 2.81 2.72 0.00 0.00 6.74 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 55 F 8.67 4.83 0.00 3.14 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 56 H 9.13 4.32 0.00 3.30 3.27 0.00 5.66 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 57 K 9.14 3.85 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.48 7.81 58 S 8.12 4.26 0.00 4.05 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 59 T 8.17 3.99 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 1.42 0.00 0.00 60 G 8.13 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 61 M 7.59 4.00 0.00 1.07 1.57 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.78 0.00 62 T 7.89 4.22 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 1.16 0.00 0.00 63 S 8.41 4.72 0.00 4.08 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 64 R 8.70 4.39 0.00 1.98 1.93 0.00 2.97 0.00 0.00 3.73 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.67 0.00 65 S 7.96 4.31 0.00 3.98 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 66 G 8.92 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 67 T 7.75 3.91 4.35 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 1.30 0.00 0.00 68 D 8.08 4.35 0.00 2.73 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 V 7.62 3.59 2.29 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 1.03 0.00 0.00 0.94 0.00 0.00 70 D 7.99 4.31 0.00 2.94 2.71 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 0.00 0.00 0.00 0.00 71 A 8.32 3.97 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 72 A 8.21 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 73 N 8.20 4.24 0.00 2.97 2.95 0.00 0.00 7.23 6.81 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 74 L 8.16 4.09 0.00 1.93 1.82 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.10 3.91 0.00 2.03 2.11 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 76 E 8.24 3.93 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 77 T 8.15 3.73 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 0.82 0.00 0.00 78 F 8.43 4.15 0.00 3.16 3.05 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 79 R 7.98 3.99 0.00 2.11 2.16 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 80 N 8.11 4.51 0.00 2.88 2.85 0.00 0.00 7.05 8.00 0.00 0.00 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 L 7.17 4.48 0.00 2.19 1.96 0.64 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.98 3.96 0.00 1.84 1.91 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.52 7.81 83 Y 8.09 4.37 0.00 3.14 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 84 E 9.29 4.31 0.00 2.04 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 2.31 2.27 0.00 85 V 8.20 4.46 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 0.82 0.00 0.00 1.12 0.00 0.00 86 R 9.01 4.60 0.00 1.73 1.78 0.00 3.20 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 87 N 8.83 5.31 0.00 2.59 2.73 0.00 0.00 6.95 7.61 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 88 K 9.23 4.70 0.00 1.58 1.64 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.53 7.81 89 N 8.72 5.27 0.00 2.54 2.66 0.00 0.00 7.27 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 90 D 8.26 4.19 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.74 4.73 0.00 1.64 1.56 0.93 0.72 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 92 T 9.28 4.78 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 1.21 0.00 0.00 93 R 9.53 3.97 0.00 2.02 2.43 0.00 2.80 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 94 E 8.11 4.01 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 95 E 8.23 4.02 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 96 I 7.91 3.73 2.08 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 1.06 1.00 0.00 0.00 97 V 7.73 3.77 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 1.21 0.00 0.00 1.09 0.00 0.00 98 E 8.34 3.81 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 99 L 8.23 3.90 0.00 1.86 1.91 0.94 0.89 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 0.00 100 M 8.10 4.21 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 3.04 0.00 101 R 7.12 2.51 0.00 0.77 1.73 0.00 3.21 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.34 0.00 102 D 8.00 4.36 0.00 2.82 2.64 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 0.00 103 V 8.10 3.64 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 1.06 0.00 0.00 104 S 7.78 3.92 0.00 3.44 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 0.00 105 K 7.16 4.25 0.00 1.73 1.81 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.50 7.81 106 E 7.18 4.05 0.00 2.03 1.72 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 2.29 2.38 0.00 107 D 8.28 4.56 0.00 2.60 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 0.00 108 H 9.04 4.78 0.00 3.30 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.55 4.07 0.00 3.90 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 0.00 110 K 8.05 4.55 0.00 1.84 1.87 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.50 7.81 111 R 7.55 5.02 0.00 1.79 1.82 0.00 3.21 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 112 S 9.11 4.16 0.00 3.84 4.01 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 0.00 113 S 8.12 4.64 0.00 4.01 3.94 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 0.00 114 F 8.79 5.09 0.00 2.95 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 0.00 115 V 7.38 4.08 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 0.01 0.00 0.00 0.28 0.00 0.00 116 C 8.06 4.59 0.00 2.27 1.76 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 0.00 117 V 8.90 4.69 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 0.86 0.00 0.00 0.57 0.00 0.00 118 L 9.12 5.01 0.00 1.62 1.60 1.05 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.38 5.02 0.00 1.59 1.60 0.98 0.43 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 0.00 120 S 8.34 4.92 0.00 4.03 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 0.00 121 H 8.79 4.45 0.00 2.79 2.82 0.00 5.72 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 0.00 122 G 8.05 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.29 4.97 0.00 1.88 1.88 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 2.37 2.59 0.00 124 E 8.84 3.95 0.00 2.12 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 0.00 2.30 2.38 0.00 125 G 9.08 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 0.00 126 I 7.95 5.02 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.08 0.50 0.00 0.00 127 I 8.48 4.72 1.91 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 1.31 1.75 1.01 0.00 0.00 128 F 9.08 4.95 0.00 3.33 3.25 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 0.00 129 G 9.56 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 0.00 0.00 0.00 130 T 8.65 3.86 4.11 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 0.97 0.00 0.00 131 N 8.94 4.96 0.00 2.80 2.61 0.00 0.00 5.90 7.00 0.00 0.00 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 7.12 4.19 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 0.00 133 P 0.00 4.37 0.00 1.68 1.07 0.00 3.73 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 1.86 1.86 0.00 134 V 8.33 4.37 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 0.99 0.00 0.00 0.94 0.00 0.00 135 D 8.67 4.72 0.00 2.61 2.51 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 0.00 136 L 8.87 3.95 0.00 1.63 1.64 0.91 0.65 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 0.00 137 K 7.89 3.86 0.00 1.79 1.72 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.33 7.81 138 K 7.56 3.75 0.00 1.73 1.93 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.28 7.81 139 I 7.52 4.16 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.76 1.21 0.00 0.00 140 T 8.01 3.91 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 0.24 0.00 0.00 141 N 8.16 4.33 0.00 2.59 2.67 0.00 0.00 6.88 7.75 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 0.00 142 F 7.30 4.22 0.00 2.92 2.42 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 0.00 143 F 7.80 4.63 0.00 3.33 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 0.00 144 R 7.87 4.10 0.00 1.96 2.05 0.00 3.10 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 145 G 8.83 3.77 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 0.00 0.00 0.00 146 D 8.01 4.66 0.00 2.79 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 0.00 147 R 7.99 4.41 0.00 1.77 1.98 0.00 3.25 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 148 C 7.51 4.68 0.00 2.92 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 0.00 149 R 8.45 4.44 0.00 1.88 1.98 0.00 3.77 0.00 0.00 3.50 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 150 S 8.03 4.48 0.00 4.00 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 0.00 151 L 7.89 4.62 0.00 1.86 1.69 0.74 0.60 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 0.00 152 T 7.54 4.00 4.33 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 1.25 0.00 0.00 153 G 9.03 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 0.00 154 K 7.78 4.55 0.00 1.82 1.75 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 1.47 7.81 155 P 0.00 4.11 0.00 1.85 1.23 0.00 3.54 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 156 K 8.68 4.66 0.00 1.79 2.01 0.00 1.96 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.65 7.81 157 L 8.74 4.64 0.00 1.22 1.44 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.88 4.89 0.00 2.86 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 0.00 159 I 8.66 4.36 1.77 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 1.21 0.50 0.92 0.00 0.00 160 I 8.47 4.76 1.91 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 1.31 0.69 0.96 0.00 0.00 161 Q 8.85 4.48 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 162 A 7.85 4.86 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 0.00 163 C 9.00 4.30 0.00 3.17 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 0.00 164 R 9.68 4.72 0.00 1.76 2.07 0.00 3.34 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 165 G 6.98 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 0.00 166 T 7.89 4.51 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 0.00 167 E 8.04 4.18 0.00 1.98 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 2.32 2.33 0.00 168 L 8.18 4.66 0.00 1.58 1.53 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.57 4.66 0.00 2.63 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 0.00 170 C 8.71 4.11 0.00 3.12 3.05 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 0.00 171 G 8.48 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 0.00 172 I 7.79 4.58 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 1.41 0.78 0.91 0.00 0.00 173 E 8.86 4.04 0.00 1.99 1.88 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 2.32 2.25 0.00 174 T 8.17 4.40 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 *175 D 8.42 4.43 0.00 2.47 2.52 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 * Residues marked with a * may have inaccurate shift predictions.