NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2621 8.1849 120.6345 53.5825 43.2735 176.2852 8 P 4.3035 0.0000 0.0000 61.1955 31.9370 173.5449 9 P 4.3488 0.0000 0.0000 64.9529 32.4270 176.6180 10 G 3.6267 9.1043 111.9172 44.5609 0.0000 172.6695 11 W 5.0344 7.6731 119.9371 56.2164 29.9402 175.8074 12 E 4.9539 9.8960 121.4437 54.4993 33.0737 174.2717 13 K 4.5038 8.7283 122.0847 56.0280 33.5087 175.3296 14 A 4.5538 8.5203 127.5445 50.4975 23.5114 173.8901 15 M 4.9006 8.1495 117.5319 53.6139 34.7391 175.2034 16 S 4.3784 9.3973 122.3283 58.7187 62.9665 175.4400 17 R 4.0708 8.9405 126.8670 58.7969 30.2670 177.8402 18 S 4.4910 8.1266 111.4470 59.2849 63.7962 174.8135 19 S 4.5353 8.0845 113.2726 56.9875 64.4812 175.3594 20 G 3.9685 8.4410 108.2220 45.2766 0.0000 173.3948 21 R 4.4007 7.6440 120.7854 55.5010 31.5483 176.1375 22 V 4.4143 8.4696 118.5518 61.9768 32.6741 174.7344 23 Y 5.0183 8.7124 121.5092 56.0356 42.3673 172.8352 24 Y 5.2639 9.3856 116.1728 56.2876 41.4817 175.0664 25 F 5.6185 9.7505 125.6200 56.4561 43.4953 172.8546 26 N 4.5496 7.7282 124.3098 51.6608 40.1727 174.4666 27 H 4.0961 8.3533 121.9146 56.8071 28.8449 176.5023 28 I 3.9546 7.7601 120.6667 63.2313 37.6700 176.7613 29 T 4.1119 7.4591 108.0437 60.7068 69.7937 175.1076 30 N 4.4097 7.9966 118.5298 53.9682 36.9817 173.5858 31 A 4.5626 7.2742 120.6255 52.1085 19.6038 177.6154 32 S 5.6336 8.4800 113.9788 57.3267 66.4001 173.0245 33 Q 4.4958 9.1822 118.0052 55.4730 31.5021 175.3397 34 W 4.5633 8.8406 120.6288 59.7996 29.5421 177.3537 35 E 4.2842 8.2349 117.1299 55.4574 29.6335 176.5010 36 R 2.5417 8.3905 123.8958 54.9734 30.4806 174.4699 37 P 3.6678 0.0000 0.0000 62.5017 30.8186 175.5506 38 S 3.7449 7.6510 115.7960 61.0901 62.8655 173.4633 *51 E 4.2103 7.6069 119.6987 54.8669 30.8036 174.0591 52 P 4.3708 0.0000 0.0000 63.1133 31.8000 176.3840 53 A 4.2632 8.6071 123.0351 54.7383 18.7632 178.1248 54 R 5.0876 7.7025 111.7874 54.6715 34.2907 175.4225 55 V 4.2370 7.9554 113.8063 59.3541 36.2763 174.3458 56 R 4.9327 7.8927 122.0895 54.0058 32.5643 174.3501 57 C 5.4009 8.7373 122.2006 58.2715 32.8614 173.1156 58 S 5.6196 9.0426 117.6625 57.5897 66.0286 172.6655 59 H 5.6155 9.4393 116.0495 54.5715 32.6697 171.8833 60 L 4.5140 9.4027 121.3203 53.2233 44.7257 174.5651 61 L 5.0223 8.8397 128.9773 53.3104 44.6261 174.9585 62 V 4.6588 8.7211 126.6062 61.1425 33.4665 175.2954 63 K 4.7092 9.0578 128.2404 56.2820 33.5752 175.5223 64 H 5.0196 8.9148 116.8569 53.9862 31.6823 174.4248 65 S 4.1232 8.9796 114.0793 61.0062 62.5943 175.1444 66 Q 4.4549 8.1228 117.5598 55.6127 29.0589 175.9487 67 S 4.3830 7.7309 115.3267 58.2084 63.3438 174.8766 68 R 4.0216 8.6124 120.4712 58.7241 29.1856 176.9266 69 R 4.4189 7.4723 117.4036 53.5438 30.9695 173.0945 70 P 4.6321 0.0000 0.0000 60.7937 30.0262 176.2563 71 S 4.9374 7.3094 111.3021 58.2667 65.3158 172.7407 72 S 4.6283 8.4883 119.6687 56.8739 65.7596 175.0748 73 W 4.3607 8.7900 116.8617 59.3502 27.8563 177.6567 74 R 3.3997 7.0177 118.2289 58.2460 29.9011 177.0728 75 Q 4.5001 7.3876 113.4318 54.7811 31.6979 174.9361 76 E 3.7962 8.9718 123.1626 58.0802 29.9512 176.1555 77 K 4.3449 7.7627 119.4864 54.3737 33.3668 174.9171 78 I 4.1475 8.5536 129.1807 60.7116 37.3598 176.2310 79 T 4.5029 8.2740 114.7141 61.0423 70.4127 174.8798 80 R 4.1691 7.7240 119.9668 56.2554 30.1917 176.3732 81 T 4.4235 8.8095 111.3900 61.0157 71.0111 175.6637 82 K 3.6617 8.4980 122.2490 59.8449 32.0855 178.5107 83 E 3.9748 8.1629 118.1060 59.6491 29.4402 179.1473 84 E 4.3145 8.5408 119.5704 58.7656 29.4055 179.1925 85 A 3.9700 8.2829 121.1722 55.1384 18.3643 179.4923 86 L 3.8534 8.1497 118.9016 58.1866 42.0134 178.9950 87 E 3.8984 8.1723 118.6783 59.2497 29.3530 179.3271 88 L 3.5186 7.7686 118.8800 57.6401 41.5938 179.4455 89 I 3.7462 7.7541 119.8815 64.7079 37.1084 178.2313 90 N 4.4111 8.4661 117.5734 56.1818 38.3243 177.7634 91 G 3.4667 7.9532 107.1362 47.9560 0.0000 175.4506 92 Y 4.4171 7.7122 119.3251 60.8593 37.8281 178.4737 93 I 3.8043 8.1454 120.9773 64.5700 37.2236 178.4221 94 Q 4.0299 8.2083 118.6395 59.1237 28.6313 179.2077 95 K 4.0884 8.2672 119.3718 59.3453 32.0516 179.6463 96 I 4.3321 8.1079 121.8302 64.0537 36.8847 178.7130 97 K 4.1475 8.3588 118.6987 59.1459 31.9699 179.0736 98 S 4.4075 8.2282 113.0728 59.0290 63.3460 175.4172 99 G 4.0184 7.7768 110.0039 45.5417 0.0000 174.3930 100 E 4.1743 7.9774 119.2109 58.6742 29.9332 177.2485 101 E 4.8034 8.2157 116.5563 53.7834 33.8723 174.3201 102 D 4.9339 8.4164 121.3105 53.2008 43.3717 177.3534 103 F 4.0057 8.9330 125.2425 61.8767 39.3796 177.5354 104 E 3.9998 8.4246 117.3528 59.4683 29.3498 179.2494 105 S 4.0192 7.9303 112.6454 61.3317 62.5550 176.0374 106 L 3.8892 7.9181 121.5077 57.5199 41.2836 179.3451 107 A 3.7068 7.7980 121.0823 55.2523 18.1651 179.8974 108 S 4.2497 7.9558 113.5890 61.6581 62.5916 176.8001 109 Q 3.9210 7.4047 119.1991 57.3071 28.7086 176.6336 110 F 4.9865 7.7847 114.4654 56.6114 40.9805 175.1197 111 S 4.5004 8.0715 116.7565 58.2810 62.5473 173.2365 112 D 4.6584 9.1033 128.7256 55.0034 41.0770 175.8000 113 C 5.0397 8.0002 118.0652 56.7947 34.8759 174.7401 114 S 4.1501 8.7767 120.6084 61.0224 62.5042 176.4514 115 S 4.2330 8.2278 117.2783 60.4564 62.6508 175.6055 116 A 3.9565 8.0711 125.3511 55.5924 17.8199 179.5630 117 K 3.8867 7.7066 114.7810 57.9509 32.3321 177.5601 118 A 4.6443 7.9370 122.9958 51.9059 19.4354 176.9124 119 R 4.0265 8.2723 114.7206 57.7645 28.3865 178.1646 120 G 4.1554 8.2130 105.3943 46.3556 0.0000 173.6846 121 D 4.8342 7.8542 119.4932 53.9468 41.5277 175.8055 122 L 4.4316 8.8656 125.5740 54.0045 42.6468 177.6709 123 G 3.8155 8.5111 107.8710 44.3434 0.0000 172.0537 124 A 4.7198 8.2954 119.8913 51.4658 19.9599 177.2493 125 F 5.2547 8.6557 115.0680 55.7735 41.9006 173.5799 126 S 5.4280 9.1346 115.3143 56.4104 65.5939 173.9552 127 R 4.0492 8.2175 118.8038 57.7058 30.1218 177.1102 128 G 3.9686 9.6070 109.2198 46.1046 0.0000 174.3106 129 Q 4.4103 8.1465 118.3080 56.3667 31.4273 175.8723 130 M 4.3795 7.7035 115.0285 53.2382 34.2083 176.1870 131 Q 4.0311 8.3001 119.1264 56.4129 30.4853 178.1662 132 K 3.9451 8.7246 124.7600 59.4486 32.3619 177.3939 133 P 4.3060 0.0000 0.0000 65.3556 31.2433 178.4645 134 F 3.8996 8.1960 119.1790 61.0883 39.4026 176.4170 135 E 4.3564 8.5693 119.0879 59.8003 29.4372 178.5959 136 D 4.4138 8.4347 118.4984 57.2964 41.0001 178.6415 137 A 3.8980 7.9800 121.2034 55.3345 18.1667 179.8354 138 S 3.9433 7.8531 112.2760 61.7850 63.0442 176.6680 139 F 4.0869 8.4794 118.2970 59.1713 38.8620 176.8866 140 A 4.3442 7.5372 118.7511 52.2415 19.3276 177.6442 141 L 4.2477 7.1103 117.2940 54.6873 42.4574 177.2210 142 R 4.3920 9.4961 121.8206 54.8903 31.4460 176.3108 143 T 3.8951 8.1556 116.3968 65.5589 68.6289 174.8932 144 G 3.9606 9.1939 115.8142 45.0702 0.0000 173.4902 145 E 4.3918 8.0990 119.3402 56.1157 31.0798 175.2919 146 M 5.1834 8.3754 121.4272 53.7034 34.9092 175.5424 147 S 4.3652 9.0211 120.9219 57.9801 64.7825 173.5704 148 G 4.3142 8.1688 108.6431 43.4079 0.0000 171.0063 149 P 4.4486 0.0000 0.0000 62.6989 32.0883 176.2251 150 V 4.4459 8.6739 124.8256 61.1187 34.0002 174.0934 151 F 5.2706 9.2232 127.1543 56.6856 40.4600 175.2457 152 T 4.8853 9.0116 112.6195 59.7211 72.1561 174.4286 153 D 4.5337 8.6633 119.9440 57.2556 41.0020 179.4280 154 S 4.1528 8.1484 115.3627 59.5744 63.7921 175.0927 155 G 3.8041 6.5105 108.0689 45.6569 0.0000 170.7361 156 I 4.7421 7.9467 123.2178 59.7834 40.0682 174.8165 157 H 5.5875 9.3745 123.4832 54.1557 32.3645 172.9803 158 I 4.7706 8.8627 122.2524 59.7673 39.7041 174.6063 159 I 4.9538 8.8498 128.0992 59.3174 40.0537 174.2500 160 L 4.8034 8.7235 128.8678 53.0209 44.6593 174.9852 161 R 4.6055 8.6760 128.0008 56.1437 30.4543 176.5069 162 T 4.5284 8.8827 117.2942 62.3634 70.7046 174.7980 163 E 4.1477 7.7014 125.4723 56.5554 30.6707 174.7195 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 L 8.18 4.26 0.00 1.78 1.76 1.16 0.58 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 8 P 0.00 4.30 0.00 2.59 2.08 0.00 3.46 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 9 P 0.00 4.35 0.00 2.06 2.05 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 10 G 9.10 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 7.67 5.03 0.00 3.35 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 12 E 9.90 4.95 0.00 2.02 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 2.58 2.32 0.00 13 K 8.73 4.50 0.00 1.81 1.68 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.13 0.93 7.81 14 A 8.52 4.55 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.15 4.90 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 16 S 9.40 4.38 0.00 4.33 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 0.00 17 R 8.94 4.07 0.00 1.87 2.00 0.00 3.26 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 18 S 8.13 4.49 0.00 4.00 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 19 S 8.08 4.54 0.00 3.98 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 20 G 8.44 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 0.00 0.00 0.00 21 R 7.64 4.40 0.00 1.76 1.79 0.00 2.82 0.00 0.00 2.99 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 22 V 8.47 4.41 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 0.77 0.00 0.00 0.99 0.00 0.00 23 Y 8.71 5.02 0.00 2.94 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 24 Y 9.39 5.26 0.00 3.00 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 25 F 9.75 5.62 0.00 3.16 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 26 N 7.73 4.55 0.00 1.44 1.46 0.00 0.00 6.86 7.96 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 27 H 8.35 4.10 0.00 3.18 3.42 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.76 3.95 1.73 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.13 0.87 0.00 0.00 29 T 7.46 4.11 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 1.02 0.00 0.00 30 N 8.00 4.41 0.00 3.11 3.10 0.00 0.00 6.74 6.97 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 31 A 7.27 4.56 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.48 5.63 0.00 3.97 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 33 Q 9.18 4.50 0.00 2.38 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 34 W 8.84 4.56 0.00 3.43 3.34 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 35 E 8.23 4.28 0.00 1.96 1.87 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 2.37 2.46 0.00 36 R 8.39 2.54 0.00 1.53 1.57 0.00 3.20 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.71 0.00 37 P 0.00 3.67 0.00 1.24 0.49 0.00 2.64 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.00 38 S 7.65 3.74 0.00 3.74 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 *51 E 7.61 4.21 0.00 2.27 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 2.19 2.36 0.00 52 P 0.00 4.37 0.00 2.38 2.10 0.00 3.86 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 2.09 1.94 0.00 53 A 8.61 4.26 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 54 R 7.70 5.09 0.00 1.62 1.71 0.00 3.20 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 55 V 7.96 4.24 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 -0.10 0.00 0.00 -0.48 0.00 0.00 56 R 7.89 4.93 0.00 1.76 1.73 0.00 3.19 0.00 0.00 3.28 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 57 C 8.74 5.40 0.00 3.30 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 58 S 9.04 5.62 0.00 3.75 4.12 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 59 H 9.44 5.62 0.00 3.64 3.73 0.00 5.20 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.40 4.51 0.00 1.37 1.54 0.49 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.84 5.02 0.00 1.79 1.48 0.76 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.72 4.66 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.10 0.00 0.00 63 K 9.06 4.71 0.00 1.75 1.67 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.66 1.35 7.81 64 H 8.91 5.02 0.00 3.37 3.40 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.98 4.12 0.00 3.98 4.15 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 66 Q 8.12 4.45 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 67 S 7.73 4.38 0.00 3.86 3.81 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 68 R 8.61 4.02 0.00 1.91 2.19 0.00 3.00 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 69 R 7.47 4.42 0.00 1.72 1.82 0.00 3.40 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 70 P 0.00 4.63 0.00 2.36 2.20 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 71 S 7.31 4.94 0.00 3.81 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 72 S 8.49 4.63 0.00 4.05 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 73 W 8.79 4.36 0.00 3.55 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 74 R 7.02 3.40 0.00 1.45 1.51 0.00 2.72 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.39 4.50 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.81 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 76 E 8.97 3.80 0.00 1.95 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 2.29 2.30 0.00 77 K 7.76 4.34 0.00 1.68 1.66 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.46 7.81 78 I 8.55 4.15 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.89 0.00 0.00 79 T 8.27 4.50 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 1.25 0.00 0.00 80 R 7.72 4.17 0.00 2.10 2.08 0.00 3.10 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 81 T 8.81 4.42 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 82 K 8.50 3.66 0.00 1.61 1.80 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.39 7.81 83 E 8.16 3.97 0.00 2.08 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 0.00 2.39 2.47 0.00 84 E 8.54 4.31 0.00 2.17 1.96 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 2.30 2.16 0.00 85 A 8.28 3.97 1.41 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 86 L 8.15 3.85 0.00 1.86 1.87 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.17 3.90 0.00 2.14 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 0.00 2.29 2.44 0.00 88 L 7.77 3.52 0.00 1.70 1.27 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.75 3.75 1.94 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 1.65 0.83 0.91 0.00 0.00 90 N 8.47 4.41 0.00 2.79 2.83 0.00 0.00 6.97 7.41 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 91 G 7.95 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 0.00 0.00 0.00 0.00 92 Y 7.71 4.42 0.00 3.16 2.93 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 93 I 8.15 3.80 2.07 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 1.62 0.91 0.97 0.00 0.00 94 Q 8.21 4.03 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 95 K 8.27 4.09 0.00 1.93 1.94 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.71 7.81 96 I 8.11 4.33 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.31 1.05 0.00 0.00 97 K 8.36 4.15 0.00 1.82 1.93 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.64 7.81 98 S 8.23 4.41 0.00 4.07 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.78 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 0.00 0.00 0.00 100 E 7.98 4.17 0.00 2.05 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 0.00 2.38 2.32 0.00 101 E 8.22 4.80 0.00 2.03 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 2.29 2.50 0.00 102 D 8.42 4.93 0.00 2.72 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.93 4.01 0.00 3.15 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 0.00 104 E 8.42 4.00 0.00 2.15 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 2.49 2.66 0.00 105 S 7.93 4.02 0.00 3.86 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 0.00 106 L 7.92 3.89 0.00 1.60 1.35 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.80 3.71 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 0.00 108 S 7.96 4.25 0.00 3.90 3.81 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 0.00 109 Q 7.40 3.92 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 110 F 7.78 4.99 0.00 2.71 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 0.00 111 S 8.07 4.50 0.00 3.81 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 9.10 4.66 0.00 2.76 2.62 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 0.00 113 C 8.00 5.04 0.00 2.97 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 0.00 114 S 8.78 4.15 0.00 4.04 4.15 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 0.00 115 S 8.23 4.23 0.00 4.29 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 0.00 116 A 8.07 3.96 1.60 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 0.00 0.00 117 K 7.71 3.89 0.00 1.60 1.71 0.00 1.35 0.00 0.00 1.21 0.00 0.00 2.42 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.09 1.29 7.81 118 A 7.94 4.64 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 0.00 119 R 8.27 4.03 0.00 2.04 2.06 0.00 3.14 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 120 G 8.21 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 D 7.85 4.83 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 0.00 122 L 8.87 4.43 0.00 2.00 1.74 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.51 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 4.72 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 0.00 125 F 8.66 5.25 0.00 3.21 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 0.00 126 S 9.13 5.43 0.00 3.96 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 0.00 127 R 8.22 4.05 0.00 1.59 1.72 0.00 2.87 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 128 G 9.61 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 0.00 0.00 0.00 129 Q 8.15 4.41 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 130 M 7.70 4.38 0.00 1.80 2.01 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.94 0.00 131 Q 8.30 4.03 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 132 K 8.72 3.95 0.00 1.89 1.85 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.64 7.81 133 P 0.00 4.31 0.00 2.38 2.18 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 134 F 8.20 3.90 0.00 2.99 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 0.00 135 E 8.57 4.36 0.00 2.28 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 0.00 2.45 2.66 0.00 136 D 8.43 4.41 0.00 2.85 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 0.00 137 A 7.98 3.90 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 0.00 138 S 7.85 3.94 0.00 4.23 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 0.00 139 F 8.48 4.09 0.00 3.13 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 0.00 140 A 7.54 4.34 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 0.00 141 L 7.11 4.25 0.00 1.74 1.55 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 142 R 9.50 4.39 0.00 1.98 1.83 0.00 3.13 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 143 T 8.16 3.90 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 1.20 0.00 0.00 144 G 9.19 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 0.00 145 E 8.10 4.39 0.00 2.04 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 0.00 2.35 2.36 0.00 146 M 8.38 5.18 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 147 S 9.02 4.37 0.00 3.99 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 0.00 148 G 8.17 4.31 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 0.00 149 P 0.00 4.45 0.00 1.91 1.84 0.00 3.71 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 2.08 2.09 0.00 150 V 8.67 4.45 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 0.98 0.00 0.00 0.92 0.00 0.00 151 F 9.22 5.27 0.00 2.96 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 0.00 152 T 9.01 4.89 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 1.38 0.00 0.00 153 D 8.66 4.53 0.00 2.92 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 0.00 154 S 8.15 4.15 0.00 3.97 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 0.00 155 G 6.51 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 7.95 4.74 1.73 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 0.85 0.79 0.36 0.00 0.00 157 H 9.37 5.59 0.00 3.09 3.41 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.86 4.77 2.15 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 1.14 0.00 0.00 159 I 8.85 4.95 1.66 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.49 0.66 0.00 0.00 160 L 8.72 4.80 0.00 0.62 0.66 0.75 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.68 4.61 0.00 1.80 1.83 0.00 3.05 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 162 T 8.88 4.53 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 1.15 0.00 0.00 163 E 7.70 4.15 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.