NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4284 8.1933 115.2896 57.8650 63.1043 173.9745 3 Q 3.8174 8.7649 128.4827 58.7396 28.4929 177.3977 4 S 4.2457 8.9319 117.1163 62.0536 63.2705 176.3087 5 N 4.3408 7.7505 117.4093 56.0437 38.2147 177.4566 6 R 3.8403 8.2075 120.4786 59.6822 30.2599 178.3534 7 E 3.9638 8.8892 119.2122 59.3300 29.3617 179.4938 8 L 3.8913 7.8341 118.8792 57.8383 41.7181 179.4798 9 V 3.5809 8.0211 118.4460 66.1292 31.3212 178.2372 10 V 2.7817 7.9859 118.1179 65.6332 31.3154 177.4026 11 D 4.1396 8.3003 118.1037 57.2367 41.0097 177.9027 12 F 4.0070 8.5375 121.3727 61.4250 39.3727 176.8989 13 L 4.0674 8.3823 118.9146 58.0081 41.3300 179.7456 14 S 4.2181 8.1147 115.0900 61.7313 62.8009 176.0442 15 Y 4.1997 7.9606 121.9921 60.8989 38.3250 178.4169 16 K 3.8671 7.5905 119.2457 58.6661 32.2755 179.1460 17 L 4.2537 8.2183 119.7889 57.8387 41.6591 179.6097 18 S 4.7040 8.2719 115.7989 61.0691 62.6037 176.3851 19 Q 3.9794 7.9400 120.9505 57.4211 28.1027 177.5439 20 K 4.4002 7.8525 117.8128 55.5059 32.7711 176.9050 21 G 3.6740 7.8157 107.8336 45.4137 0.0000 173.0080 22 Y 4.9479 7.0735 117.6541 56.5066 40.3671 174.0458 23 S 4.9443 8.2420 113.4583 56.7860 65.5240 173.7111 24 W 4.3281 9.1180 135.0000 60.2596 30.9467 175.5889 25 S 4.5183 7.7308 110.3226 56.9681 65.4191 174.7453 26 Q 3.8995 8.6189 121.3266 59.3561 29.2849 177.7748 *83 M 4.4175 8.0375 116.1621 55.3173 34.2257 177.4365 84 A 4.0295 8.1744 120.1384 55.2207 18.4479 179.5757 85 A 3.9835 8.2337 119.3161 55.1853 18.3880 180.0285 86 V 3.6539 7.9748 116.8148 66.0152 31.6122 178.3470 87 K 3.7565 8.0730 118.1577 59.6354 31.9593 179.0297 88 Q 4.0433 8.3014 119.5318 59.0976 28.8216 178.3230 89 A 3.9842 8.3516 122.0135 55.0472 18.4023 179.3236 90 L 4.0668 8.4705 119.3278 58.3484 42.1017 179.2297 91 R 3.9062 8.4260 118.2855 59.5149 30.0644 178.8748 92 E 4.0083 8.2354 117.9116 59.4759 29.4208 179.3672 93 A 4.2994 8.6345 121.3170 54.9613 18.3607 180.0219 94 G 3.5901 8.4640 104.6985 48.0758 0.0000 175.5390 95 D 4.4670 8.2806 121.9619 57.0708 40.8446 178.6535 96 E 4.0066 8.4394 119.5708 59.3590 29.8299 178.5252 97 F 4.1494 8.8196 121.0742 61.5960 39.4709 176.9910 98 E 4.3046 9.0915 118.6181 59.0701 29.3458 179.1629 99 L 4.0231 8.1378 120.6822 58.3545 42.0779 179.2370 100 R 4.0701 8.0746 116.1151 58.5109 30.1352 177.9956 101 Y 4.1530 7.7701 119.8957 60.3274 38.9743 177.5249 102 R 4.3882 8.3202 118.4973 58.7873 29.4598 178.5250 103 R 4.0496 7.9314 116.1343 57.4640 30.1143 176.8561 104 A 4.2453 7.2347 119.6329 52.0282 20.8705 175.4202 105 F 4.7825 8.1639 113.4108 56.1568 43.0346 172.8584 106 S 4.8060 9.5042 115.8665 58.4162 64.0046 174.1277 107 D 4.2627 7.9550 121.9504 51.5720 39.5628 176.5834 108 L 4.1374 8.4315 122.9145 57.4580 42.2556 178.2405 109 T 3.8338 7.6766 115.0412 63.3497 66.0650 175.3570 110 S 4.3618 5.8100 115.0349 58.7255 64.1300 173.1912 111 Q 4.7202 8.3286 125.8589 56.8356 36.9800 174.8607 112 L 4.1145 7.7943 116.7828 54.7513 42.4090 177.0654 113 H 4.7805 8.3111 119.1963 54.4397 28.0418 174.7058 114 I 4.1787 8.0501 125.5301 60.9428 38.0516 175.9650 115 T 4.7935 8.0127 113.3700 59.2912 71.8999 173.0089 116 P 4.3215 0.0000 0.0000 65.8375 31.5096 178.3961 117 G 3.7825 8.1930 106.0940 47.6488 0.0000 174.5822 118 T 4.4980 7.9472 108.4898 61.1374 69.5814 175.8824 119 A 4.1014 8.3938 125.3722 55.8499 18.4528 178.6672 120 Y 2.8490 8.0625 116.9572 60.7540 38.6783 178.0012 121 Q 3.9273 8.1720 119.6276 59.5225 29.0341 178.5947 122 S 4.1395 8.2536 116.0613 61.2805 62.7674 176.4268 123 F 4.4027 8.2960 123.5721 61.3280 39.1339 176.8808 124 E 3.5574 8.2444 119.3123 59.1189 29.4241 178.7547 125 Q 3.8459 8.0312 118.1429 58.8640 28.7946 178.9053 126 V 3.2270 7.4433 119.0898 66.0167 31.1447 178.2864 127 V 3.2446 7.3834 118.0089 65.8078 30.9521 177.7614 128 N 4.4037 8.0898 116.0864 56.1188 38.4479 176.7464 129 E 3.9586 7.9865 120.7464 58.9211 29.4209 178.5170 130 L 3.6648 7.4095 119.8257 57.1376 42.0115 177.6791 131 F 5.4433 7.0198 113.4912 56.4430 39.5625 176.6145 132 R 4.0473 7.8119 123.0618 59.2641 29.7777 178.4281 133 D 4.8732 9.0841 115.1279 51.5483 40.3870 174.9196 134 G 4.1896 7.2707 103.7203 44.3419 0.0000 173.4371 135 V 4.5580 7.4989 120.9755 60.6121 34.3907 174.5337 136 N 4.0454 7.8060 121.4779 49.8473 40.0553 175.0306 137 W 4.8321 9.0438 120.2464 60.5729 29.1811 178.9899 138 G 3.8910 8.5565 104.8001 48.0607 0.0000 176.0012 139 R 3.9945 8.4238 120.3797 58.8800 29.9269 179.1671 140 I 4.0086 7.8383 119.3279 64.5352 37.1684 178.3564 141 V 3.7414 8.3003 118.9738 65.9049 31.2858 177.7843 142 A 2.5800 7.8390 120.4176 54.7030 18.1553 179.0210 143 F 4.1247 8.5831 119.4392 61.7898 39.4462 177.2138 144 F 3.8127 8.8504 117.2575 60.8844 38.8010 178.0419 145 S 4.1524 8.4585 114.9372 61.2056 62.4703 176.6089 146 F 4.2545 8.5707 124.1236 61.3041 39.2351 177.1724 147 G 3.5438 8.0829 105.5829 47.8706 0.0000 175.6141 148 G 3.5847 8.1228 107.7785 47.5395 0.0000 175.6639 149 A 4.0272 7.8771 123.0505 54.4702 18.2513 179.7862 150 L 3.7511 7.5848 117.8051 58.1214 41.5844 179.4691 151 C 4.0043 7.8485 116.5673 62.7419 27.9696 176.2737 152 V 3.5179 7.7437 119.7828 66.0194 31.0587 177.6969 153 E 3.8981 8.3079 119.0233 59.2992 29.4676 178.8884 154 S 4.0842 8.2525 115.6192 61.6225 62.8213 176.9527 155 V 3.5570 8.0021 121.0545 66.0502 31.0666 177.5665 156 D 4.3885 8.0741 117.7644 57.2553 40.7727 178.2416 157 K 4.2832 7.9206 115.5054 55.3521 32.9149 176.3488 158 E 3.7829 8.3112 117.5452 58.3019 27.1542 174.2505 159 M 4.8498 8.2522 113.2880 53.9055 33.8046 178.0834 160 Q 3.8765 8.3400 121.2941 59.8806 29.5593 177.8817 161 V 3.7035 7.7163 111.9837 63.6631 31.4930 178.0281 162 L 3.7160 8.2342 119.4322 56.9155 41.3096 179.1803 163 V 3.3710 7.4794 118.8785 66.0765 31.4088 178.2461 164 S 3.9563 7.7667 113.1731 61.0649 62.8688 176.6413 165 R 3.2645 6.8019 119.9608 58.8846 29.7650 178.6746 166 I 2.8162 7.3625 119.6933 64.0141 37.0357 178.0621 167 A 3.8094 7.7959 121.3439 55.1704 18.1109 179.5040 168 A 3.8981 7.5897 118.8756 55.2749 18.5155 179.8841 169 W 4.5002 8.2724 117.6606 60.1472 28.9133 178.8462 170 M 4.4495 8.1350 118.5429 58.4093 31.4664 178.5547 171 A 4.1071 8.0985 120.8658 55.5138 18.5174 179.5642 172 T 3.8781 8.3664 114.6279 67.3101 68.6632 176.1915 173 Y 3.8934 8.4710 121.0483 60.3717 38.7348 178.1698 174 L 3.9423 8.3788 120.2574 57.9458 41.6600 178.9897 175 N 4.3764 8.4208 115.3223 56.2437 38.5349 176.7506 176 D 4.4003 8.1094 119.0719 56.6853 41.5008 177.3560 177 H 4.5353 7.4673 113.5043 56.0751 30.0867 176.3955 178 L 4.1714 7.3690 118.4224 55.7467 42.4630 177.8345 179 E 3.9403 8.3771 119.9728 59.1075 29.4970 176.8722 180 P 4.1560 0.0000 0.0000 65.5888 31.4055 178.0670 181 W 3.9433 8.0934 126.0462 60.5641 30.5230 177.6780 182 I 3.2625 8.0800 119.8780 64.4734 36.0844 178.1703 183 Q 3.8998 8.4147 120.5186 59.1932 28.6806 177.9163 184 E 3.9052 7.9291 119.0433 58.0669 29.5735 177.3653 185 N 4.6454 7.2647 115.5684 52.6374 39.8206 175.5210 186 G 4.3691 6.9510 107.0555 45.4505 0.0000 175.5762 187 G 4.0643 8.5335 111.1043 44.3095 0.0000 174.9145 188 W 4.3096 8.6889 117.1295 59.5599 28.8023 178.4713 189 D 4.4890 8.3955 118.7942 57.5031 40.1875 178.7111 190 T 4.0755 8.0180 116.2886 66.4388 68.4550 176.3218 191 F 3.2523 7.8123 122.1162 61.1653 39.0991 177.1631 192 V 3.5165 8.1102 117.8781 65.9414 31.0734 177.7858 193 E 3.9114 7.7880 117.2252 59.5955 29.4438 179.1720 194 L 3.9807 7.9338 117.7853 56.7765 41.7479 177.4609 195 Y 4.3615 7.7193 113.2609 56.9739 39.2622 176.2121 196 G 3.6203 8.0584 109.8370 46.3318 0.0000 173.1259 197 N 4.1257 8.4566 116.0899 54.6453 36.2741 174.3436 198 N 4.5956 7.9418 117.2335 53.4667 39.0511 175.1954 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 4.43 0.00 3.86 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 3 Q 8.76 3.82 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 4 S 8.93 4.25 0.00 3.84 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 5 N 7.75 4.34 0.00 2.92 2.84 0.00 0.00 6.74 7.54 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 6 R 8.21 3.84 0.00 1.90 2.06 0.00 3.18 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 7 E 8.89 3.96 0.00 2.20 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 2.29 2.34 0.00 8 L 7.83 3.89 0.00 1.95 1.68 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.02 3.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.95 0.00 0.00 10 V 7.99 2.78 1.90 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 0.09 0.00 0.00 0.66 0.00 0.00 11 D 8.30 4.14 0.00 2.77 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 12 F 8.54 4.01 0.00 3.08 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 13 L 8.38 4.07 0.00 1.62 1.89 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.11 4.22 0.00 3.94 3.95 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 15 Y 7.96 4.20 0.00 2.85 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 16 K 7.59 3.87 0.00 1.75 1.74 0.00 1.56 0.00 0.00 1.35 0.00 0.00 2.57 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.71 1.18 7.81 17 L 8.22 4.25 0.00 1.94 1.89 1.20 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.27 4.70 0.00 4.04 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 19 Q 7.94 3.98 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 1.97 1.85 0.00 20 K 7.85 4.40 0.00 1.58 1.35 0.00 1.61 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.55 7.81 21 G 7.82 3.67 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 0.00 0.00 0.00 22 Y 7.07 4.95 0.00 3.17 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 23 S 8.24 4.94 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 24 W 9.12 4.33 0.00 3.42 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 25 S 7.73 4.52 0.00 4.00 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 26 Q 8.62 3.90 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.52 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 *83 M 8.04 4.42 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 84 A 8.17 4.03 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 85 A 8.23 3.98 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 86 V 7.97 3.65 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 0.62 0.00 0.00 1.14 0.00 0.00 87 K 8.07 3.76 0.00 2.02 1.79 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.59 7.81 88 Q 8.30 4.04 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 89 A 8.35 3.98 1.47 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 90 L 8.47 4.07 0.00 1.62 1.63 0.55 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.43 3.91 0.00 1.99 1.98 0.00 3.34 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 92 E 8.24 4.01 0.00 2.22 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 2.37 2.42 0.00 93 A 8.63 4.30 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.46 3.59 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 0.00 0.00 0.00 95 D 8.28 4.47 0.00 2.94 2.81 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 96 E 8.44 4.01 0.00 2.19 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 0.00 2.43 2.50 0.00 97 F 8.82 4.15 0.00 3.32 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 9.09 4.30 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 99 L 8.14 4.02 0.00 1.93 1.95 0.96 0.91 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 0.00 100 R 8.07 4.07 0.00 1.77 1.94 0.00 3.60 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 101 Y 7.77 4.15 0.00 3.04 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 0.00 102 R 8.32 4.39 0.00 2.20 2.35 0.00 3.16 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.59 0.00 103 R 7.93 4.05 0.00 1.82 1.98 0.00 3.11 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 104 A 7.23 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.16 4.78 0.00 2.50 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 0.00 106 S 9.50 4.81 0.00 4.06 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 0.00 107 D 7.95 4.26 0.00 2.96 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 0.00 108 L 8.43 4.14 0.00 1.57 1.01 0.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.68 3.83 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 1.29 0.00 0.00 110 S 5.81 4.36 0.00 4.01 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 0.00 111 Q 8.33 4.72 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 112 L 7.79 4.11 0.00 1.69 1.63 1.10 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.31 4.78 0.00 3.17 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.05 4.18 1.90 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 1.50 0.75 0.96 0.00 0.00 115 T 8.01 4.79 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 116 P 0.00 4.32 0.00 2.10 2.21 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 117 G 8.19 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.95 4.50 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 1.25 0.00 0.00 119 A 8.39 4.10 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 0.00 0.00 0.00 0.00 0.00 120 Y 8.06 2.85 0.00 2.18 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 0.00 121 Q 8.17 3.93 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 122 S 8.25 4.14 0.00 4.16 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 0.00 123 F 8.30 4.40 0.00 3.22 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 0.00 124 E 8.24 3.56 0.00 1.35 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 2.32 2.31 0.00 125 Q 8.03 3.85 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 126 V 7.44 3.23 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 -0.08 0.00 0.00 0.84 0.00 0.00 127 V 7.38 3.24 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 0.04 0.00 0.00 0.29 0.00 0.00 128 N 8.09 4.40 0.00 2.70 2.84 0.00 0.00 6.98 7.21 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 0.00 129 E 7.99 3.96 0.00 1.99 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 2.19 2.22 0.00 130 L 7.41 3.66 0.00 1.33 1.33 0.54 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.02 5.44 0.00 3.03 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.81 4.05 0.00 1.88 1.91 0.00 3.21 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 133 D 9.08 4.87 0.00 2.79 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 0.00 134 G 7.27 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 0.00 135 V 7.50 4.56 1.16 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 -0.47 0.00 0.00 0.65 0.00 0.00 136 N 7.81 4.05 0.00 3.01 2.77 0.00 0.00 6.23 8.88 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 0.00 137 W 9.04 4.83 0.00 3.82 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 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 0.00 139 R 8.42 3.99 0.00 2.00 1.52 0.00 3.07 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 140 I 7.84 4.01 2.28 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.70 1.41 0.00 0.00 141 V 8.30 3.74 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 1.07 0.00 0.00 1.12 0.00 0.00 142 A 7.84 2.58 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 0.00 143 F 8.58 4.12 0.00 3.19 3.40 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 0.00 144 F 8.85 3.81 0.00 3.28 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 0.00 145 S 8.46 4.15 0.00 3.62 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 0.00 146 F 8.57 4.25 0.00 2.98 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 0.00 147 G 8.08 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.12 3.58 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 0.00 0.00 0.00 149 A 7.88 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.58 3.75 0.00 1.65 1.49 0.66 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 151 C 7.85 4.00 0.00 3.02 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 0.00 152 V 7.74 3.52 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 1.11 0.00 0.00 0.95 0.00 0.00 153 E 8.31 3.90 0.00 2.14 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 2.31 2.39 0.00 154 S 8.25 4.08 0.00 3.97 4.03 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 0.00 155 V 8.00 3.56 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 1.09 0.00 0.00 0.94 0.00 0.00 156 D 8.07 4.39 0.00 2.81 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 0.00 157 K 7.92 4.28 0.00 1.72 1.83 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.62 7.81 158 E 8.31 3.78 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 159 M 8.25 4.85 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.43 0.00 160 Q 8.34 3.88 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 161 V 7.72 3.70 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.90 0.00 0.00 162 L 8.23 3.72 0.00 1.64 1.55 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.48 3.37 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 1.03 0.00 0.00 0.89 0.00 0.00 164 S 7.77 3.96 0.00 3.95 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 0.00 165 R 6.80 3.26 0.00 1.07 0.80 0.00 3.02 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.56 0.00 166 I 7.36 2.82 1.65 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.48 0.62 0.00 0.00 167 A 7.80 3.81 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 A 7.59 3.90 1.26 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 0.00 0.00 169 W 8.27 4.50 0.00 2.84 2.87 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 0.00 170 M 8.14 4.45 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.12 0.00 171 A 8.10 4.11 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 0.00 172 T 8.37 3.88 4.64 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 1.35 0.00 0.00 173 Y 8.47 3.89 0.00 3.60 3.51 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 0.00 174 L 8.38 3.94 0.00 2.18 1.85 1.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.42 4.38 0.00 2.88 2.91 0.00 0.00 7.13 7.87 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 0.00 176 D 8.11 4.40 0.00 2.27 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 0.00 0.00 0.00 0.00 177 H 7.47 4.54 0.00 2.00 2.78 0.00 5.63 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.37 4.17 0.00 1.61 1.52 -0.02 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.38 3.94 0.00 2.20 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 2.36 2.45 0.00 180 P 0.00 4.16 0.00 2.18 2.08 0.00 3.53 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 181 W 8.09 3.94 0.00 3.25 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 0.00 182 I 8.08 3.26 1.99 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.70 0.71 0.00 0.00 183 Q 8.41 3.90 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 184 E 7.93 3.91 0.00 1.93 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 2.06 2.21 0.00 185 N 7.26 4.65 0.00 1.44 2.00 0.00 0.00 7.29 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 0.00 186 G 6.95 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 0.00 0.00 0.00 0.00 187 G 8.53 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 0.00 0.00 0.00 188 W 8.69 4.31 0.00 3.53 3.36 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 0.00 189 D 8.40 4.49 0.00 2.78 2.79 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 0.00 190 T 8.02 4.08 4.59 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 1.38 0.00 0.00 191 F 7.81 3.25 0.00 1.51 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 0.00 192 V 8.11 3.52 2.30 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 1.09 0.00 0.00 1.15 0.00 0.00 193 E 7.79 3.91 0.00 2.09 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 2.64 0.00 194 L 7.93 3.98 0.00 1.44 1.31 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.72 4.36 0.00 1.93 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 0.00 196 G 8.06 3.62 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 0.00 197 N 8.46 4.13 0.00 2.77 2.81 0.00 0.00 6.77 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 0.00 198 N 7.94 4.60 0.00 2.89 2.71 0.00 0.00 6.67 7.44 0.00 0.00 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.