NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3708 8.4449 118.8083 55.4980 31.3551 174.3752 3 Y 3.1248 7.8076 119.7305 58.3685 34.1077 167.7968 4 K 4.4397 7.6290 124.5123 54.6013 32.2866 175.9808 5 S 4.3798 7.7791 115.8510 57.2353 64.3813 175.3222 6 S 4.3580 8.2377 117.0068 57.3221 63.6626 172.0600 7 P 4.5231 0.0000 0.0000 62.4854 31.8262 177.5647 8 K 4.3205 8.8995 119.8219 57.9397 32.2208 179.4811 9 R 3.5648 8.3448 119.9564 59.1835 29.8818 176.2570 10 P 4.0298 0.0000 0.0000 65.8104 31.2548 178.2519 11 Y 3.9590 7.9600 114.9139 60.9720 37.8465 178.2570 12 L 4.1515 8.0480 119.9087 57.6034 41.7320 179.1272 13 L 4.3218 8.5144 120.6883 58.3806 41.9972 178.8498 14 R 3.9046 8.1444 118.2414 59.4763 29.9160 178.2722 15 A 4.1022 8.3119 120.3431 55.5513 18.5749 178.9913 16 Y 3.9564 8.5414 118.2756 60.8406 38.8263 177.5267 17 Y 4.1019 8.8326 121.0217 61.0569 38.8878 178.0358 18 D 4.5063 8.7004 119.8654 57.0084 40.5615 178.6200 19 W 4.0019 8.4577 129.1783 60.2712 30.6170 178.0210 20 L 3.8573 8.1664 119.0043 57.7824 41.1474 179.6784 21 V 3.3677 7.3714 117.9467 66.1151 31.3026 177.7375 22 D 4.3849 7.9845 116.6810 56.1419 40.5715 177.3584 23 N 4.3276 6.7362 115.0634 51.8958 38.9410 174.5468 24 S 3.5927 7.5158 114.8781 59.7833 60.6205 170.9473 25 F 5.0242 7.7927 117.4321 56.2441 41.9188 176.2474 26 T 4.3834 8.8122 118.1620 61.3979 69.7474 172.6423 27 P 4.6859 0.0000 0.0000 63.0793 32.5646 175.1115 28 Y 4.9761 8.8380 122.9172 55.8883 40.9637 174.4539 29 L 5.2310 8.8224 125.9783 53.3217 45.0342 174.9277 30 V 4.5932 9.0859 126.8860 61.5513 33.3460 174.5705 31 V 4.8545 8.6575 127.6515 61.1267 34.9033 174.1573 32 D 4.6827 8.9345 127.1519 53.0717 41.0625 176.5473 33 A 4.2897 8.3096 128.0936 54.2990 18.3068 178.8419 34 T 3.9560 8.9914 113.0006 66.8140 69.0786 174.7540 35 Y 4.0592 7.7585 119.9160 56.9354 39.1027 175.5946 36 L 4.0493 7.8470 127.4558 56.8389 42.0384 177.7443 37 G 4.1398 8.9843 111.9139 44.8969 0.0000 173.6437 38 V 3.9368 7.4515 120.2140 62.9979 32.5048 175.1863 39 N 4.9470 9.4758 126.5561 52.0275 40.7551 173.1572 40 V 4.6364 8.0103 117.4203 58.5165 36.6610 173.4317 41 P 4.0300 0.0000 0.0000 62.7516 30.3120 177.4066 42 V 3.5429 8.3545 124.5247 65.4104 31.3933 176.5178 43 E 4.3866 8.2220 114.9351 56.7885 29.8749 175.9622 44 Y 4.4750 8.3844 116.4275 57.8403 38.6232 175.4133 45 V 4.3190 7.6128 120.0000 61.6302 32.4953 175.3067 46 K 4.5301 8.7912 125.7675 55.7743 35.0033 176.2783 47 D 4.0329 9.5487 123.9025 55.5815 38.8334 173.6308 48 G 3.9896 8.0226 101.6308 45.7896 0.0000 173.2593 49 Q 4.9808 7.5852 115.1216 55.3030 33.7711 173.2438 50 I 4.9838 8.4846 124.1691 59.5718 42.0037 173.4727 51 V 4.9814 8.5792 128.3627 61.3936 33.1624 174.6812 52 L 4.7919 8.7829 126.7928 52.8238 45.7960 174.8500 53 N 4.1841 8.2792 120.5281 52.2646 39.5724 174.3901 54 L 4.4430 8.7921 125.7585 54.2168 42.8055 176.7926 55 S 4.2096 8.7621 115.7684 57.9344 63.6118 175.3904 56 A 4.0142 8.5674 123.1558 55.3534 18.1306 180.0196 57 S 4.1412 8.0394 108.0589 60.2196 63.3747 174.5322 58 A 4.4951 7.4290 122.9023 52.0618 19.2726 176.3376 59 T 5.0041 7.5515 105.4837 59.6117 72.1758 173.7074 60 G 4.0518 8.4708 110.4597 44.9613 0.0000 172.7989 61 N 4.3878 9.0296 122.5959 54.0301 36.0623 174.5672 62 L 4.4218 8.0223 119.0802 55.5516 43.4148 176.2941 63 Q 4.4245 9.8435 125.1111 54.4911 31.8578 174.5551 64 L 4.9450 8.4482 125.7703 53.4949 40.4871 176.5462 65 T 4.1671 8.4827 120.3536 61.6740 70.1066 176.1039 66 N 3.8915 8.3143 120.6373 56.0900 38.7002 176.1927 67 D 4.6443 7.5088 116.2372 55.5487 42.0239 175.5100 68 F 4.9645 6.7492 112.3209 56.0220 42.0206 173.1090 69 I 5.2308 8.7953 119.4332 59.8346 40.6144 174.8964 70 Q 5.5270 9.1294 125.6948 55.2712 33.0896 173.1098 71 F 4.9676 7.7688 118.5629 56.9725 41.1378 171.5204 72 N 5.4971 8.9309 115.9506 51.5857 41.1158 174.2406 73 A 4.9852 9.6179 123.9304 50.5841 23.4434 175.0440 74 R 4.7485 8.3759 118.6813 54.4480 31.8151 176.2267 75 F 4.3978 8.6842 122.3048 56.1442 39.8055 175.8832 76 K 3.8003 9.6090 128.2516 57.4980 29.3077 175.5802 77 G 4.2585 8.3956 110.8971 45.7700 0.0000 173.6359 78 V 3.6393 7.4518 121.7590 62.4077 30.5277 174.3765 79 S 4.6935 8.4596 122.2172 58.2531 62.9112 173.4011 80 R 4.8249 9.5042 125.9530 54.4017 34.6839 173.5159 81 E 4.9242 8.6713 120.9596 54.4529 32.1633 174.9161 82 L 4.9038 8.3164 126.0480 52.9930 45.2885 174.6908 83 Y 4.9946 8.5033 122.4819 55.8994 41.9699 174.2135 84 I 4.5061 8.5541 127.1480 58.4352 40.4720 173.8987 85 P 4.9268 0.0000 0.0000 61.8382 33.1710 178.8994 *87 G 2.5913 8.8813 112.2522 45.5350 0.0000 172.8337 88 A 3.7676 7.2181 121.3425 53.1370 20.1643 176.9922 89 A 4.2933 7.5632 117.3303 52.0763 18.1018 177.3390 90 L 4.4868 9.0105 123.4250 57.3360 43.0151 177.0591 91 A 3.9934 7.5750 117.3726 51.1549 22.6700 175.0508 92 I 5.3295 7.8139 118.7282 59.7610 41.8459 173.7538 93 Y 5.4154 8.8483 125.6780 55.9923 42.4413 172.9783 94 A 4.6513 8.7416 121.5359 50.6373 20.0219 178.2738 95 R 3.4864 8.2825 123.8132 59.2533 31.0046 178.4951 96 E 4.1658 8.2064 113.5103 56.8331 28.4362 176.2550 97 N 4.3388 8.6192 116.5695 52.1333 40.9049 175.5876 98 G 3.9922 8.6020 107.1813 46.5071 0.0000 172.8247 99 D 4.9845 7.3422 120.5328 52.3598 43.3174 174.0494 100 G 4.4110 7.9082 114.3908 45.4039 0.0000 171.7702 101 V 3.9350 8.1651 118.7876 60.0745 35.9233 173.7677 *103 F 4.9347 8.6501 121.5877 58.2480 40.0582 175.1358 104 E 4.2247 8.9188 122.5748 55.2255 30.3301 174.8336 105 P 4.5949 0.0000 0.0000 62.5019 32.3734 175.7975 106 E 4.6856 8.5532 120.1303 54.2069 32.8665 176.4482 107 E 3.9508 9.1104 124.3002 59.8004 29.5417 179.9024 108 I 4.0891 7.5069 113.4613 63.5642 37.4250 177.6564 109 Y 4.5714 7.5880 118.0608 61.1274 37.9721 177.8164 110 D 4.6702 8.2441 119.4437 57.4686 40.8026 178.4027 111 E 4.0414 8.1197 118.9271 59.4028 29.3304 178.8560 112 L 4.3926 8.1615 115.7517 55.6925 41.7057 176.9116 113 N 4.5289 7.7015 116.3401 52.8418 39.4877 173.8624 114 I 3.9463 7.5701 118.1664 61.2443 37.5868 175.4454 115 E 4.5677 8.3905 124.7154 54.1241 31.1910 174.3168 116 P 4.5230 0.0000 0.0000 62.5060 32.1290 176.7280 117 D 4.5163 8.5703 120.8333 56.5889 41.1578 176.4752 118 T 4.6931 7.3593 106.5608 59.4746 71.9599 172.8878 119 E 4.2974 8.3852 121.7012 55.5982 30.4821 176.4941 120 Q 4.3538 8.1328 119.2644 54.4145 29.7709 174.3974 121 P 4.2134 0.0000 0.0000 64.7082 31.9048 177.7476 *122 T 3.6538 8.5744 113.9640 61.0949 68.1471 168.9274 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 E 8.44 4.37 0.00 2.16 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 0.00 2.20 2.39 0.00 3 Y 7.81 3.12 0.00 3.15 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 4 K 7.63 4.44 0.00 1.70 1.76 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.48 7.81 5 S 7.78 4.38 0.00 3.97 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 6 S 8.24 4.36 0.00 4.03 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 7 P 0.00 4.52 0.00 2.02 1.55 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 8 K 8.90 4.32 0.00 1.86 1.88 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 9 R 8.34 3.56 0.00 2.08 2.01 0.00 2.56 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 10 P 0.00 4.03 0.00 1.77 1.86 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 11 Y 7.96 3.96 0.00 3.23 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.05 4.15 0.00 1.95 1.96 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.51 4.32 0.00 1.59 1.79 0.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.14 3.90 0.00 2.11 2.06 0.00 3.07 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 15 A 8.31 4.10 1.50 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 0.00 0.00 16 Y 8.54 3.96 0.00 3.39 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 17 Y 8.83 4.10 0.00 3.35 3.26 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 18 D 8.70 4.51 0.00 3.02 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 19 W 8.46 4.00 0.00 3.31 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 20 L 8.17 3.86 0.00 1.78 1.68 1.17 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.37 3.37 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 0.95 0.00 0.00 0.50 0.00 0.00 22 D 7.98 4.38 0.00 2.54 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 23 N 6.74 4.33 0.00 1.97 1.84 0.00 0.00 7.02 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 24 S 7.52 3.59 0.00 3.61 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 F 7.79 5.02 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 26 T 8.81 4.38 4.20 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 1.37 0.00 0.00 27 P 0.00 4.69 0.00 1.98 1.83 0.00 3.44 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.80 0.00 28 Y 8.84 4.98 0.00 1.92 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 0.00 0.00 0.00 29 L 8.82 5.23 0.00 1.78 1.53 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.09 4.59 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 0.96 0.00 0.00 1.17 0.00 0.00 31 V 8.66 4.85 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 0.95 0.00 0.00 0.99 0.00 0.00 32 D 8.93 4.68 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 4.29 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 34 T 8.99 3.96 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 1.24 0.00 0.00 35 Y 7.76 4.06 0.00 3.20 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 36 L 7.85 4.05 0.00 1.44 1.55 0.84 0.78 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 37 G 8.98 4.14 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 0.00 0.00 0.00 38 V 7.45 3.94 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 0.76 0.00 0.00 1.11 0.00 0.00 39 N 9.48 4.95 0.00 2.83 2.72 0.00 0.00 6.65 8.12 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 40 V 8.01 4.64 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.92 0.00 0.00 41 P 0.00 4.03 0.00 1.38 1.43 0.00 3.09 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.42 0.00 42 V 8.35 3.54 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 0.82 0.00 0.00 0.98 0.00 0.00 43 E 8.22 4.39 0.00 2.07 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 2.61 2.35 0.00 44 Y 8.38 4.48 0.00 2.88 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 45 V 7.61 4.32 2.25 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 0.91 0.00 0.00 1.01 0.00 0.00 46 K 8.79 4.53 0.00 1.80 1.67 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 47 D 9.55 4.03 0.00 2.83 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 48 G 8.02 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 49 Q 7.59 4.98 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 50 I 8.48 4.98 1.95 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 1.24 1.44 0.98 0.00 0.00 51 V 8.58 4.98 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.10 0.00 0.00 52 L 8.78 4.79 0.00 1.60 1.57 1.15 0.92 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 53 N 8.28 4.18 0.00 2.28 2.48 0.00 0.00 6.91 7.78 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 54 L 8.79 4.44 0.00 1.71 1.75 0.99 0.30 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 55 S 8.76 4.21 0.00 3.93 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 56 A 8.57 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.04 4.14 0.00 3.98 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 58 A 7.43 4.50 1.24 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 0.00 0.00 0.00 59 T 7.55 5.00 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 0.62 0.00 0.00 60 G 8.47 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 61 N 9.03 4.39 0.00 2.94 2.95 0.00 0.00 7.07 7.85 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 62 L 8.02 4.42 0.00 1.61 1.56 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 9.84 4.42 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 64 L 8.45 4.95 0.00 1.32 1.43 0.11 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.48 4.17 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 66 N 8.31 3.89 0.00 2.53 2.80 0.00 0.00 6.90 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 67 D 7.51 4.64 0.00 2.53 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 68 F 6.75 4.96 0.00 2.56 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 69 I 8.80 5.23 1.93 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 1.08 0.67 1.06 0.00 0.00 70 Q 9.13 5.53 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 71 F 7.77 4.97 0.00 3.29 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 72 N 8.93 5.50 0.00 2.79 2.77 0.00 0.00 7.08 7.49 0.00 0.00 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 A 9.62 4.99 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 74 R 8.38 4.75 0.00 1.73 1.84 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 75 F 8.68 4.40 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.61 3.80 0.00 2.11 1.98 0.00 2.01 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.66 7.81 77 G 8.40 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.45 3.64 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.04 0.00 0.00 79 S 8.46 4.69 0.00 3.89 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 80 R 9.50 4.82 0.00 1.76 1.67 0.00 2.81 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 81 E 8.67 4.92 0.00 1.89 1.71 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 2.07 2.37 0.00 82 L 8.32 4.90 0.00 0.95 1.40 1.02 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.50 4.99 0.00 2.90 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 84 I 8.55 4.51 1.83 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 1.22 0.50 0.84 0.00 0.00 85 P 0.00 4.93 0.00 2.24 2.01 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.13 0.00 *87 G 8.88 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 0.00 0.00 0.00 88 A 7.22 3.77 1.19 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 89 A 7.56 4.29 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 90 L 9.01 4.49 0.00 1.65 1.75 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.58 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.81 5.33 2.07 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.97 0.00 0.00 93 Y 8.85 5.42 0.00 3.13 2.94 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 94 A 8.74 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.28 3.49 0.00 0.78 1.59 0.00 2.94 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.00 96 E 8.21 4.17 0.00 2.14 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 2.39 2.38 0.00 97 N 8.62 4.34 0.00 2.86 2.97 0.00 0.00 6.88 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 98 G 8.60 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 99 D 7.34 4.98 0.00 2.89 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 0.00 100 G 7.91 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.17 3.93 1.65 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 -0.10 0.00 0.00 0.12 0.00 0.00 *103 F 8.65 4.93 0.00 2.99 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 0.00 104 E 8.92 4.22 0.00 1.98 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 2.32 2.42 0.00 105 P 0.00 4.59 0.00 2.14 2.04 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 106 E 8.55 4.69 0.00 1.91 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 2.31 2.57 0.00 107 E 9.11 3.95 0.00 1.98 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 2.42 2.42 0.00 108 I 7.51 4.09 1.81 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 0.83 0.00 0.00 109 Y 7.59 4.57 0.00 3.24 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.24 4.67 0.00 3.04 2.78 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 0.00 111 E 8.12 4.04 0.00 2.25 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 2.35 2.57 0.00 112 L 8.16 4.39 0.00 1.99 1.84 1.13 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.70 4.53 0.00 2.38 2.83 0.00 0.00 7.16 7.32 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 0.00 114 I 7.57 3.95 1.95 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 1.30 0.95 0.91 0.00 0.00 115 E 8.39 4.57 0.00 1.93 1.84 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 2.20 2.26 0.00 116 P 0.00 4.52 0.00 2.17 1.97 0.00 3.66 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 2.01 2.09 0.00 117 D 8.57 4.52 0.00 2.66 2.72 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 0.00 118 T 7.36 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 0.00 119 E 8.39 4.30 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 2.30 2.32 0.00 120 Q 8.13 4.35 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 121 P 0.00 4.21 0.00 2.03 1.98 0.00 3.70 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 2.02 2.07 0.00 *122 T 8.57 3.65 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 * Residues marked with a * may have inaccurate shift predictions.