NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Q 4.2669 8.3449 119.1101 54.7278 29.8330 173.9520 16 E 4.5664 8.6133 122.6407 54.0029 31.2876 173.6637 17 H 4.9707 9.1077 122.4473 53.9679 31.2375 173.8630 18 K 4.8677 8.8119 125.9633 56.3421 33.5654 175.5978 19 V 5.2920 9.4467 127.3403 61.2079 34.9198 174.0230 20 I 5.2190 8.8210 121.0236 59.3225 40.8749 174.4494 21 I 5.0427 8.9469 125.3239 59.9733 39.4930 175.1658 22 V 4.7317 10.3631 120.2180 58.7703 35.7986 174.8782 23 G 4.5698 8.4793 110.7993 43.9444 0.0000 172.6542 24 L 4.2492 7.7485 120.6727 53.9169 42.4046 176.6794 25 D 4.3097 8.2519 120.0835 56.0937 41.0799 176.8186 26 N 4.4267 8.9532 119.6066 53.6195 37.7689 174.8304 27 A 4.0306 7.5851 120.5514 56.3078 18.6764 177.9141 28 G 3.7834 8.3849 104.4060 45.7866 0.0000 176.0812 29 K 3.8912 8.4352 122.3814 59.4423 32.0340 179.1919 30 T 3.8170 7.7448 115.3912 66.9838 68.3908 176.7409 31 T 3.8096 7.7377 117.0797 66.5294 68.4933 176.5972 32 I 3.2623 7.7117 121.7549 64.1789 36.8797 178.2206 33 L 3.5901 7.2600 119.5637 58.0371 42.1395 177.9061 34 Y 4.1938 7.9412 119.4563 61.0756 38.7911 178.4243 35 Q 3.9660 8.4386 118.9053 58.6820 28.7923 178.4782 36 F 4.5791 8.0910 119.4525 60.8034 38.7050 177.6957 37 S 4.2482 7.8270 112.2555 60.8549 62.9949 175.4677 38 M 4.2067 7.4189 120.1716 54.6331 32.7429 175.8349 39 N 4.5062 7.4561 119.2603 52.8290 39.8991 175.0000 40 E 3.9164 9.0119 126.1856 59.6285 29.6184 178.4445 41 V 3.7731 7.6605 109.6268 62.7195 32.0083 176.0611 42 V 4.2752 7.3200 120.8010 61.6491 32.1732 175.5884 43 H 4.3828 8.7554 125.8098 56.1791 29.1647 175.5646 44 T 4.0665 8.5087 112.9436 62.3290 69.2809 173.5444 45 S 4.5978 8.2626 116.9705 56.4785 65.3488 172.4514 46 P 4.2742 0.0000 0.0000 64.8509 31.3742 176.6887 *51 N 4.6576 8.0144 115.7695 52.0935 39.8887 173.9186 52 V 4.5516 7.8727 120.9669 62.0311 33.3109 174.4273 53 E 4.7374 8.6529 125.6966 54.2446 33.2182 172.3984 54 E 4.6565 8.7496 125.2439 55.1890 30.7182 175.4891 55 I 4.5799 9.0652 128.3266 59.5278 40.2159 174.5397 56 V 4.9371 8.4938 126.7382 61.1264 34.3420 174.3616 57 I 4.8417 8.5814 128.0364 60.5117 41.1827 175.9021 58 N 4.4211 8.6373 123.6316 54.9358 37.6254 174.7956 59 N 4.7613 9.1975 122.5328 54.0499 39.1191 173.9257 60 T 4.2802 8.1826 117.7133 61.9735 69.6922 173.6107 61 R 4.8007 8.2683 125.9266 54.9241 31.9808 175.2162 62 F 5.2378 9.2304 123.5599 55.6138 41.9503 174.5347 63 L 4.9818 9.1293 125.8347 53.9523 43.8381 174.7171 64 M 5.2299 8.9703 127.3090 53.6041 34.4557 175.1597 65 W 4.8297 9.4789 124.8820 54.9940 31.3087 175.1720 66 D 4.9502 8.8818 126.7042 53.4218 40.5536 176.2352 67 I 3.7063 8.0947 127.2521 61.4794 37.5625 176.6515 *73 L 4.3547 8.4562 123.1748 55.1561 43.1488 178.9838 74 R 4.0850 7.7929 114.1108 57.5625 30.5521 176.9499 75 S 4.1813 7.6865 112.9067 57.9150 62.9039 174.2350 76 S 4.0641 8.0554 122.6208 59.8967 62.9011 174.3743 77 W 5.0294 7.4339 119.2960 54.4968 32.0198 174.3030 78 N 4.2848 8.8603 121.8481 53.2550 38.4656 174.6192 79 T 4.2338 7.6229 114.7126 61.7222 70.1249 176.0364 80 Y 4.2348 7.0354 120.0587 61.4376 37.9147 177.1574 81 Y 4.7301 7.5415 115.2647 59.1277 38.7296 175.4964 82 T 3.8883 7.3331 116.7549 64.5680 68.6107 173.4628 83 N 4.2023 8.8833 123.2281 54.5744 37.5389 173.3930 84 T 4.3132 7.6287 113.4045 63.0842 69.1991 174.4577 85 E 4.2626 9.3394 126.1323 57.6949 31.4971 176.3866 86 F 5.4244 8.1005 116.6275 55.6911 43.8162 173.8435 87 V 4.8720 9.1029 122.9171 61.3127 34.0602 174.2036 88 I 4.8288 9.2033 129.4060 59.9964 39.0649 174.7064 89 V 4.6889 8.8705 128.7838 61.3432 33.0894 174.5022 90 V 4.7684 8.7029 129.1861 61.5504 32.8578 175.0672 91 V 4.3794 8.6873 127.8126 60.8743 34.5201 173.7980 92 D 4.7717 8.7102 127.9017 54.0225 41.4630 177.0041 93 S 4.2567 9.1078 124.1821 61.1788 63.0946 176.7823 94 T 3.9775 8.0998 109.7675 63.2401 69.2162 174.6827 95 D 4.6153 7.5754 122.8023 52.6190 39.7237 176.5672 96 R 3.8950 8.0772 124.0135 58.1225 30.7525 177.9860 97 E 4.0989 8.1852 117.9126 58.8576 30.1070 178.0189 98 R 4.1726 8.1401 116.3059 57.5241 30.1648 178.3161 99 I 3.6793 7.2364 118.9971 64.0154 37.8623 177.7607 100 S 4.6390 8.0555 114.7621 61.3678 62.7288 176.6676 101 V 3.6220 7.6559 121.4254 66.1217 31.4529 177.7621 102 T 3.8684 7.9419 115.5549 66.7656 68.3104 176.3693 103 R 3.9571 8.5844 120.7839 59.4038 30.1531 178.0051 104 E 4.0012 8.3220 119.0083 59.6419 29.6731 178.7751 105 E 4.0384 8.5249 118.7058 59.0163 29.3701 179.0123 106 L 3.7631 8.3607 120.9183 58.5761 42.0932 178.8128 107 Y 4.0281 7.9136 116.3446 60.5270 37.5596 178.1672 108 K 4.0167 8.0752 119.0959 59.6659 32.4632 178.6765 109 M 4.1307 8.0855 118.3371 58.6839 32.0256 178.3051 110 L 3.9863 7.8718 117.3287 57.0898 41.7962 178.7741 111 A 4.2412 7.6752 119.3103 53.1073 18.8441 177.2500 112 H 4.3612 7.9102 116.6582 55.2725 29.5999 176.4664 113 E 4.0423 8.9941 124.1797 59.5256 29.6253 178.9521 114 D 4.4139 8.2820 117.5230 56.9349 41.1639 177.1000 115 L 4.5657 7.8429 117.1949 54.1992 41.8469 178.3432 116 R 3.9416 7.8228 117.6443 58.6723 29.1587 177.6216 117 K 4.2829 7.8261 114.5109 55.9518 32.9413 176.1283 118 A 4.2804 7.7233 122.2176 51.6423 18.9801 177.9534 119 G 4.1946 8.6387 109.3772 45.8785 0.0000 172.3767 120 L 5.3228 9.4075 123.7449 52.9971 44.9416 174.7559 121 L 4.7439 9.1112 129.2155 53.2869 44.5994 174.7839 122 I 4.7627 8.6443 127.8437 59.6751 39.5249 174.6715 123 F 5.2155 9.1930 127.1010 56.2827 40.4738 175.3687 124 A 4.6122 9.1497 128.0649 51.0913 18.5202 176.0300 125 N 5.0030 9.3021 120.9243 52.9949 41.8402 174.4655 126 K 4.4675 8.4326 116.5255 57.0441 29.3552 177.8804 127 Q 4.2308 7.9769 118.5432 57.8373 28.8216 177.6595 128 D 4.4071 7.9905 117.7681 55.2694 39.9933 176.1008 129 V 4.0223 7.6309 121.3336 61.3962 32.0779 175.3908 130 K 3.8617 8.5368 126.6816 58.2072 32.3700 176.4240 131 E 3.7974 8.9250 120.1746 57.1463 26.8447 174.2658 132 C 4.4990 7.4922 114.1528 57.8780 30.7262 173.3168 133 M 4.4987 8.6731 120.4494 55.6867 32.1944 176.9369 134 T 4.3210 9.0896 113.3742 61.0647 70.3513 176.0855 135 V 3.6155 8.5666 122.5076 65.0661 31.1816 178.4041 136 A 4.0326 7.9464 120.8726 54.9647 18.2550 179.2325 137 E 3.9562 8.2713 117.1678 59.5820 29.4788 179.7213 138 I 3.7272 7.9741 119.8757 64.3779 37.2217 178.2860 139 S 4.0158 8.4209 114.3932 61.4541 62.1926 176.0764 140 Q 3.9449 8.3102 122.1671 59.1510 28.6376 177.8601 141 F 4.0091 8.2368 120.5155 61.2754 39.6158 176.5080 142 L 4.2434 8.1418 115.3094 54.3757 42.1414 176.7623 143 K 3.8118 8.0328 118.2942 57.1102 30.5272 177.6025 144 L 3.3259 7.7699 120.4161 57.8628 41.5789 179.7122 145 T 4.4970 7.7619 105.4454 63.1328 68.8148 174.7830 146 S 4.5250 7.7760 117.7627 58.8283 63.4591 174.3078 147 I 3.9756 7.7124 123.0458 61.3009 36.9289 175.9057 148 K 4.5211 8.9241 126.4159 57.1684 33.6654 177.2800 149 D 5.0569 8.2059 115.4516 52.6596 41.2023 180.3366 150 H 5.0920 8.0714 115.1229 54.8324 32.8972 173.2381 151 Q 4.6014 8.8338 122.6137 56.0605 29.6334 175.2605 152 W 5.7424 8.5562 119.3553 55.5311 31.8252 173.5653 153 H 4.1247 8.5012 120.1593 54.3829 32.7643 171.6143 154 I 4.7601 7.9917 125.2784 59.3064 40.1815 174.3248 155 Q 4.5037 9.0652 129.3877 53.9821 32.2131 173.9496 156 A 4.7336 8.7583 128.7591 52.6031 19.8236 175.7061 157 C 4.8110 9.1585 115.6070 57.3370 34.1670 172.7131 158 C 4.6658 8.8672 119.1441 57.5405 32.2464 174.5267 159 A 4.0496 8.9238 130.5717 54.3655 18.2726 179.3203 160 L 4.2152 7.9064 115.2041 56.9594 41.8146 177.7380 161 T 4.4147 7.1614 103.0637 60.1581 70.4115 175.2320 162 G 3.8998 8.3766 110.5775 45.3159 0.0000 173.2575 163 E 4.1869 7.7527 120.5592 57.7782 29.7048 177.7253 164 G 4.2481 8.9462 111.4980 46.9239 0.0000 175.5402 165 L 4.1683 7.9331 119.7161 57.8259 41.4634 178.6812 166 C 4.0225 8.2018 118.2883 62.7350 31.4506 175.3516 167 Q 4.1212 8.2589 120.6190 59.0543 28.7561 178.3505 168 G 3.6136 8.1368 106.5660 47.8366 0.0000 175.6831 169 L 3.7435 8.2054 121.9687 57.5158 41.6210 179.5924 170 E 3.9419 8.5955 118.8418 58.8356 29.0746 179.2524 171 W 3.9552 7.9127 127.9550 60.6401 31.0484 177.6117 172 M 3.4311 7.9123 118.4076 58.3444 31.1212 178.4052 173 M 4.0669 7.8763 119.0327 58.6600 31.9939 179.0330 174 S 4.1391 7.7557 112.2846 60.4648 63.2000 175.5669 175 R 4.2126 6.9660 119.8820 55.7611 30.1225 176.2175 176 L 4.2791 7.5478 124.7874 55.1288 41.5819 176.8258 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 15 Q 8.34 4.27 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 16 E 8.61 4.57 0.00 1.95 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 2.24 2.38 0.00 17 H 9.11 4.97 0.00 2.95 3.51 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.81 4.87 0.00 2.02 1.98 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.73 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.69 1.77 7.81 19 V 9.45 5.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.37 0.00 0.00 20 I 8.82 5.22 1.97 0.00 0.00 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 1.41 0.82 1.10 0.00 0.00 21 I 8.95 5.04 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.05 0.97 0.00 0.00 22 V 10.36 4.73 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 0.80 0.00 0.00 1.04 0.00 0.00 23 G 8.48 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.75 4.25 0.00 1.72 1.61 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.25 4.31 0.00 2.92 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 26 N 8.95 4.43 0.00 2.84 2.97 0.00 0.00 7.03 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 A 7.59 4.03 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 28 G 8.38 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 29 K 8.44 3.89 0.00 1.79 1.95 0.00 1.82 0.00 0.00 2.01 0.00 0.00 3.25 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.53 7.81 30 T 7.74 3.82 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 31 T 7.74 3.81 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 1.17 0.00 0.00 32 I 7.71 3.26 1.62 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.60 -0.02 0.00 0.00 33 L 7.26 3.59 0.00 1.57 1.65 1.08 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 34 Y 7.94 4.19 0.00 3.12 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 35 Q 8.44 3.97 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 2.69 2.73 0.00 36 F 8.09 4.58 0.00 3.21 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 37 S 7.83 4.25 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 38 M 7.42 4.21 0.00 1.96 2.28 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 39 N 7.46 4.51 0.00 2.96 2.69 0.00 0.00 6.68 7.63 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 40 E 9.01 3.92 0.00 1.96 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 0.00 2.29 2.30 0.00 41 V 7.66 3.77 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 0.67 0.00 0.00 0.91 0.00 0.00 42 V 7.32 4.28 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 0.80 0.00 0.00 0.88 0.00 0.00 43 H 8.76 4.38 0.00 3.10 3.22 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.51 4.07 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 1.20 0.00 0.00 45 S 8.26 4.60 0.00 3.80 3.71 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 46 P 0.00 4.27 0.00 2.08 2.08 0.00 3.75 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 2.02 2.07 0.00 *51 N 8.01 4.66 0.00 2.90 3.10 0.00 0.00 5.62 7.68 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 52 V 7.87 4.55 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 -0.38 0.00 0.00 0.49 0.00 0.00 53 E 8.65 4.74 0.00 1.68 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 2.13 2.08 0.00 54 E 8.75 4.66 0.00 1.96 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 2.31 2.51 0.00 55 I 9.07 4.58 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.10 0.85 0.00 0.00 56 V 8.49 4.94 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 1.15 0.00 0.00 0.95 0.00 0.00 57 I 8.58 4.84 2.02 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.96 0.00 0.00 58 N 8.64 4.42 0.00 2.85 2.01 0.00 0.00 7.08 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 59 N 9.20 4.76 0.00 2.68 2.81 0.00 0.00 6.71 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 60 T 8.18 4.28 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 0.67 0.00 0.00 61 R 8.27 4.80 0.00 1.87 1.84 0.00 3.09 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 62 F 9.23 5.24 0.00 3.16 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 63 L 9.13 4.98 0.00 2.03 1.75 0.72 1.23 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 64 M 8.97 5.23 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 65 W 9.48 4.83 0.00 3.28 3.22 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 66 D 8.88 4.95 0.00 2.74 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 67 I 8.09 3.71 1.66 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.12 0.00 0.00 *73 L 8.46 4.35 0.00 1.64 1.75 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.79 4.09 0.00 1.76 1.93 0.00 3.34 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 75 S 7.69 4.18 0.00 3.79 3.69 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 76 S 8.06 4.06 0.00 2.72 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 77 W 7.43 5.03 0.00 3.28 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 78 N 8.86 4.28 0.00 2.53 2.61 0.00 0.00 7.02 7.70 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 79 T 7.62 4.23 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 1.20 0.00 0.00 80 Y 7.04 4.23 0.00 2.44 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 81 Y 7.54 4.73 0.00 3.00 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 82 T 7.33 3.89 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 1.10 0.00 0.00 83 N 8.88 4.20 0.00 2.79 2.87 0.00 0.00 7.26 7.70 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 84 T 7.63 4.31 4.44 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 1.36 0.00 0.00 85 E 9.34 4.26 0.00 2.07 1.63 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 2.23 2.32 0.00 86 F 8.10 5.42 0.00 3.07 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 87 V 9.10 4.87 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.95 0.00 0.00 88 I 9.20 4.83 2.07 0.00 0.00 1.18 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 0.61 1.22 0.00 0.00 89 V 8.87 4.69 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 0.95 0.00 0.00 0.90 0.00 0.00 90 V 8.70 4.77 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 0.79 0.00 0.00 1.02 0.00 0.00 91 V 8.69 4.38 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 0.97 0.00 0.00 0.94 0.00 0.00 92 D 8.71 4.77 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 9.11 4.26 0.00 4.02 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 94 T 8.10 3.98 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 95 D 7.58 4.62 0.00 2.82 2.56 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 96 R 8.08 3.90 0.00 1.78 1.88 0.00 3.21 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 97 E 8.19 4.10 0.00 1.90 1.94 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 2.26 2.31 0.00 98 R 8.14 4.17 0.00 1.98 1.94 0.00 3.36 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 99 I 7.24 3.68 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.32 0.15 0.00 0.00 100 S 8.06 4.64 0.00 4.25 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 0.00 101 V 7.66 3.62 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 1.17 0.00 0.00 0.96 0.00 0.00 102 T 7.94 3.87 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 103 R 8.58 3.96 0.00 2.08 2.26 0.00 2.90 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 104 E 8.32 4.00 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 105 E 8.52 4.04 0.00 2.15 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 2.59 2.49 0.00 106 L 8.36 3.76 0.00 1.61 1.63 0.64 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.91 4.03 0.00 3.09 2.96 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 0.00 108 K 8.08 4.02 0.00 2.01 1.97 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.52 7.81 109 M 8.09 4.13 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 110 L 7.87 3.99 0.00 1.61 1.68 0.57 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.68 4.24 1.38 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 0.00 112 H 7.91 4.36 0.00 3.26 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.99 4.04 0.00 2.02 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 2.41 2.30 0.00 114 D 8.28 4.41 0.00 2.78 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 0.00 115 L 7.84 4.57 0.00 1.75 1.58 0.26 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.82 3.94 0.00 1.93 2.13 0.00 3.05 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 117 K 7.83 4.28 0.00 1.72 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 118 A 7.72 4.28 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 0.00 119 G 8.64 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 0.00 120 L 9.41 5.32 0.00 1.83 1.83 0.86 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.11 4.74 0.00 1.78 1.48 0.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.64 4.76 1.80 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 1.15 0.38 0.93 0.00 0.00 123 F 9.19 5.22 0.00 2.99 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 0.00 124 A 9.15 4.61 1.28 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 0.00 0.00 0.00 125 N 9.30 5.00 0.00 2.85 2.79 0.00 0.00 7.08 6.48 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 0.00 126 K 8.43 4.47 0.00 2.00 1.86 0.00 2.17 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.38 7.81 127 Q 7.98 4.23 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 128 D 7.99 4.41 0.00 2.81 2.92 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 0.00 129 V 7.63 4.02 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 0.94 0.00 0.00 0.96 0.00 0.00 130 K 8.54 3.86 0.00 2.03 1.74 0.00 2.03 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.05 7.81 131 E 8.93 3.80 0.00 2.11 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 2.19 2.22 0.00 132 C 7.49 4.50 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.67 4.50 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.42 0.00 134 T 9.09 4.32 4.25 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 1.22 0.00 0.00 135 V 8.57 3.62 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 1.01 0.00 0.00 0.95 0.00 0.00 136 A 7.95 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.27 3.96 0.00 2.21 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 2.35 2.37 0.00 138 I 7.97 3.73 2.03 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 1.38 0.66 0.92 0.00 0.00 139 S 8.42 4.02 0.00 3.94 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 0.00 140 Q 8.31 3.94 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 141 F 8.24 4.01 0.00 3.13 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 0.00 142 L 8.14 4.24 0.00 1.60 1.67 0.89 0.99 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 0.00 143 K 8.03 3.81 0.00 1.88 1.75 0.00 1.39 0.00 0.00 1.44 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.40 7.81 144 L 7.77 3.33 0.00 0.88 0.13 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 145 T 7.76 4.50 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 146 S 7.78 4.52 0.00 3.96 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 0.00 147 I 7.71 3.98 1.88 0.00 0.00 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 1.32 0.41 1.10 0.00 0.00 148 K 8.92 4.52 0.00 1.76 1.88 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.37 7.81 149 D 8.21 5.06 0.00 2.64 2.47 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 0.00 150 H 8.07 5.09 0.00 3.21 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.83 4.60 0.00 2.23 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 152 W 8.56 5.74 0.00 3.25 2.99 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 0.00 153 H 8.50 4.12 0.00 1.40 1.31 0.00 5.74 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 0.00 154 I 7.99 4.76 2.05 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 1.22 1.14 1.03 0.00 0.00 155 Q 9.07 4.50 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 156 A 8.76 4.73 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 C 9.16 4.81 0.00 3.01 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 0.00 158 C 8.87 4.67 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 0.00 159 A 8.92 4.05 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 0.00 160 L 7.91 4.22 0.00 1.63 1.73 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.16 4.41 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 0.00 162 G 8.38 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 0.00 0.00 0.00 163 E 7.75 4.19 0.00 2.16 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 2.33 2.13 0.00 164 G 8.95 4.25 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 0.00 165 L 7.93 4.17 0.00 1.91 2.01 0.76 -0.20 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 0.00 166 C 8.20 4.02 0.00 3.15 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 0.00 167 Q 8.26 4.12 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 168 G 8.14 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.21 3.74 0.00 1.73 1.48 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.60 3.94 0.00 2.01 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 2.45 2.45 0.00 171 W 7.91 3.96 0.00 3.03 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 0.00 172 M 7.91 3.43 0.00 0.90 1.64 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 1.93 0.00 173 M 7.88 4.07 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.84 0.00 174 S 7.76 4.14 0.00 3.88 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 0.00 175 R 6.97 4.21 0.00 1.36 1.98 0.00 2.56 0.00 0.00 2.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.38 0.00 176 L 7.55 4.28 0.00 1.58 1.57 0.87 1.14 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 * Residues marked with a * may have inaccurate shift predictions.