NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3790 8.1233 123.5863 51.5405 20.8848 178.5424 10 N 4.2416 8.0945 115.5013 56.0429 38.4894 175.5829 11 S 4.1632 8.9008 117.3342 61.6384 63.3871 176.5793 12 T 3.8768 7.4979 117.7791 66.5869 68.1735 176.9933 13 V 3.4194 7.5645 119.5220 65.8426 31.6677 177.6671 14 L 3.7945 7.8427 118.7558 58.0077 41.5972 179.4396 15 S 4.2172 8.2235 112.8914 61.3691 62.0316 175.9880 16 F 4.5067 7.8338 121.8710 61.7582 39.4815 176.6687 17 C 3.8447 8.4009 116.4183 62.4015 27.7031 175.6906 18 A 3.7078 8.0310 121.9307 54.5692 17.8838 178.7065 19 F 4.5227 7.1976 111.5423 56.6255 39.9388 176.3763 20 A 4.1705 7.1435 122.8573 51.7253 18.7646 179.2294 21 V 3.7507 8.2504 113.7805 63.7080 32.0870 176.4281 22 D 4.6744 7.4440 119.2539 50.2551 41.6321 173.3524 23 P 4.1927 0.0000 0.0000 65.3712 31.5640 177.6447 24 A 4.0210 7.9670 118.6585 54.8945 18.2313 179.4785 25 K 3.9136 8.1291 118.3009 59.5059 32.2331 178.9153 26 A 4.0067 8.0322 121.1517 55.3909 18.2055 179.0293 27 Y 4.3247 8.1355 118.0677 60.5477 38.8612 177.9673 28 K 3.7764 8.1423 120.6293 59.6566 32.3733 178.3966 29 D 4.3853 8.4515 119.4435 57.6620 40.7768 178.1660 30 Y 4.0905 8.4541 120.0006 60.8115 38.6986 178.3885 31 L 3.6105 8.0810 119.5904 57.5694 41.5079 179.0849 32 A 3.9982 8.0962 119.9750 54.9368 18.1652 178.7007 33 S 4.5668 7.5260 111.8199 58.3136 63.2032 175.1100 34 G 3.7577 8.0282 109.4516 45.4273 0.0000 174.7448 35 G 2.4967 7.1028 108.0854 44.6308 0.0000 173.7439 36 Q 4.1468 8.4278 123.4467 54.5744 29.8100 174.2919 37 P 4.6798 0.0000 0.0000 62.3823 32.0726 176.2457 38 I 3.9579 8.4955 122.8191 62.0313 37.5327 176.1807 39 T 4.6457 8.6139 116.8497 61.4022 70.9955 174.3842 40 N 4.3095 8.8111 119.5074 54.9500 35.9234 173.9411 41 C 4.3881 8.0008 115.3326 59.5492 29.1031 173.6450 42 V 4.0942 8.5598 117.9491 61.0730 32.3509 175.4184 43 K 4.5563 8.6609 124.9358 55.5061 33.3812 176.3674 44 M 4.3397 8.4536 123.9685 54.3795 33.6860 176.2050 45 L 4.5952 8.3603 123.0346 53.5904 43.6701 175.6002 46 C 4.6980 7.6486 124.1238 58.3352 28.9511 175.3645 *49 T 4.2075 8.8250 107.8586 61.0136 69.9965 173.1371 50 G 4.0417 8.1122 110.4867 46.5693 0.0000 173.8095 51 T 4.1096 9.9213 110.6373 62.4087 68.8271 176.4228 52 G 3.9837 8.7099 110.5138 45.7107 0.0000 174.1615 53 Q 4.0736 7.4949 118.2633 55.5977 29.4209 176.2690 54 A 3.8170 8.5268 122.7850 54.5871 18.8008 177.3482 55 I 5.0397 7.3644 115.0214 59.7291 39.9805 174.6738 56 T 4.8287 8.9068 116.4439 59.9006 72.2988 175.3994 57 V 3.9274 8.6427 114.5999 63.1483 32.0420 176.3110 58 T 4.8124 7.5405 108.1395 58.5927 71.8528 171.7420 59 P 4.2276 0.0000 0.0000 63.1615 31.7582 176.3663 60 E 4.6460 9.6674 120.9323 55.7227 31.3667 175.3027 61 A 4.5152 7.8677 122.9997 52.4333 18.8902 178.5208 62 N 5.1969 9.1716 120.6044 51.9496 39.8337 175.4663 63 M 4.2071 8.6062 116.3089 57.9281 32.3483 176.6987 64 D 4.9971 9.2758 119.3615 53.7780 41.5489 175.1504 65 Q 5.1856 7.7334 116.6395 54.5702 33.5140 174.0390 66 E 4.7051 9.1250 118.9697 54.7620 33.4537 175.3957 67 S 5.3394 8.2162 117.9223 56.9993 65.8867 173.1608 68 F 5.3172 9.4734 121.7775 55.2250 43.5877 174.4278 69 G 3.8666 9.3984 109.1842 46.3014 0.0000 174.2596 70 G 4.5188 9.5602 114.7659 47.7582 0.0000 175.3460 71 A 4.0430 8.0324 122.7520 54.8061 18.1601 179.6647 72 S 4.1500 7.7884 112.7009 61.1986 63.0482 175.6223 73 C 4.5334 8.3073 117.8463 58.4540 28.5967 172.4545 74 C 4.5603 7.3837 123.0487 57.8156 32.0656 173.6922 75 L 3.5930 8.3760 128.9771 58.4602 41.5778 178.5195 76 Y 3.7839 7.0101 115.9703 60.9526 37.8728 178.0339 77 C 4.0621 7.9006 117.1447 63.0226 28.1633 176.2769 78 R 3.8090 8.1198 118.4024 58.9014 29.6803 178.0427 79 C 4.2060 7.8232 114.0702 59.0563 28.6297 173.1318 80 H 4.0136 7.6518 116.8216 56.9005 26.3225 174.2013 81 I 4.5189 7.2117 110.6293 58.3914 40.2944 174.7083 82 D 4.4293 8.3007 120.1532 54.7467 41.1861 175.9636 83 H 4.0688 8.2002 118.3207 54.1269 30.1158 173.5284 84 P 4.6807 0.0000 0.0000 62.6217 31.3688 175.9239 85 N 4.2811 7.6017 116.4715 56.3564 39.5401 175.9332 *89 F 4.4338 7.4299 120.7534 58.3474 39.8947 173.2984 90 C 4.5692 9.0592 119.3278 57.8920 32.6845 173.3255 91 D 4.9684 8.6658 125.6572 53.2698 39.5950 176.9877 92 L 4.6336 7.7336 120.4693 55.7465 44.3693 176.9824 93 K 4.1897 7.9219 119.9949 57.6652 32.5317 177.4895 94 G 3.7183 8.9560 113.8923 45.1059 0.0000 172.1736 95 K 4.4880 7.0970 118.2291 54.4957 36.2616 174.1797 96 Y 5.1792 8.7809 117.3521 56.5399 41.8351 175.3069 97 V 4.9524 9.2041 122.9253 61.3976 34.2879 174.1134 98 Q 5.1851 9.1775 127.8351 54.8465 30.0514 175.3029 99 I 4.2271 8.9951 124.8724 58.3311 40.9456 173.3011 100 P 4.5009 0.0000 0.0000 63.4281 32.0097 177.4173 101 T 3.8392 8.8938 120.8321 67.0227 68.5455 176.7816 102 T 4.0132 7.9489 109.4285 63.8462 68.9330 174.1631 103 C 4.6356 8.0509 118.4290 59.3644 29.3853 175.0365 104 A 4.1150 7.7917 121.9096 53.3686 17.7383 178.1168 105 N 4.5728 7.9151 113.6610 54.5940 38.6755 175.0385 106 D 4.7956 7.9732 118.3419 51.0353 41.3421 173.5150 107 P 4.0340 0.0000 0.0000 65.5015 31.7856 178.5866 108 V 4.0641 7.0669 117.8812 65.5860 31.5546 178.2649 109 G 4.0999 8.4379 106.3282 46.9259 0.0000 175.2140 110 F 3.6620 8.6325 123.7346 61.4438 39.1158 177.4188 111 T 3.9646 7.5956 108.1716 64.6294 68.6881 176.3562 112 L 4.1853 7.2741 120.6646 57.3798 41.7779 178.8288 113 R 4.2061 7.8602 115.8010 56.0832 30.4989 175.6622 114 N 5.0218 6.9757 115.0360 51.3766 41.9094 173.5251 115 T 4.9643 8.2886 114.6712 61.9442 72.2909 173.7635 116 V 4.1856 8.5310 125.7414 62.4205 32.9074 175.8451 117 C 4.6344 9.5952 129.5376 56.3763 43.9122 174.6715 118 T 3.8945 8.8275 116.7854 64.1662 68.7630 175.4074 119 V 3.9749 7.6692 120.7693 65.2195 32.3250 177.5486 120 C 4.3168 8.1558 115.7012 58.9250 40.7269 175.4090 121 G 3.7028 8.8566 106.9597 45.4727 0.0000 172.6402 122 M 4.7742 7.3115 118.6899 52.6738 34.8258 175.0860 123 W 5.0450 8.4240 119.9350 56.5317 29.8828 176.4368 124 K 4.3400 9.3805 123.6525 57.8126 31.8747 177.9354 125 G 3.8405 9.7540 110.9407 46.1473 0.0000 173.7150 126 Y 4.9168 7.8460 116.2922 57.2809 39.9247 175.5986 127 G 4.3103 8.5694 118.1068 46.8444 0.0000 174.5315 128 C 3.8050 8.3743 116.9119 60.8539 28.7532 174.3434 129 S 4.1039 8.6826 117.3423 59.2720 62.5330 172.1360 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 9 A 8.12 4.38 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 10 N 8.09 4.24 0.00 2.82 2.85 0.00 0.00 7.09 6.68 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 11 S 8.90 4.16 0.00 3.87 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 12 T 7.50 3.88 4.43 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 0.00 0.00 0.00 1.22 0.00 0.00 13 V 7.56 3.42 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 0.13 0.00 0.00 0.77 0.00 0.00 14 L 7.84 3.79 0.00 1.74 1.60 0.83 0.42 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 15 S 8.22 4.22 0.00 4.03 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 0.00 16 F 7.83 4.51 0.00 3.07 3.19 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 17 C 8.40 3.84 0.00 2.76 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 18 A 8.03 3.71 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.20 4.52 0.00 3.10 3.10 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 20 A 7.14 4.17 1.08 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 0.00 0.00 21 V 8.25 3.75 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 0.71 0.00 0.00 0.92 0.00 0.00 22 D 7.44 4.67 0.00 2.70 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 23 P 0.00 4.19 0.00 2.09 1.95 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 24 A 7.97 4.02 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 25 K 8.13 3.91 0.00 1.95 1.92 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.46 1.47 7.81 26 A 8.03 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.14 4.32 0.00 2.92 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 28 K 8.14 3.78 0.00 1.89 2.00 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.44 7.81 29 D 8.45 4.39 0.00 2.88 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 30 Y 8.45 4.09 0.00 3.36 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 31 L 8.08 3.61 0.00 1.69 1.49 0.49 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.10 4.00 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 33 S 7.53 4.57 0.00 3.70 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 34 G 8.03 3.76 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 0.00 0.00 0.00 35 G 7.10 2.50 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 0.00 36 Q 8.43 4.15 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 37 P 0.00 4.68 0.00 2.24 2.28 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 38 I 8.50 3.96 1.76 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.45 0.80 0.00 0.00 39 T 8.61 4.65 4.27 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 0.00 0.00 0.00 1.28 0.00 0.00 40 N 8.81 4.31 0.00 2.90 2.98 0.00 0.00 6.81 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 41 C 8.00 4.39 0.00 2.93 2.83 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 42 V 8.56 4.09 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 0.78 0.00 0.00 1.06 0.00 0.00 43 K 8.66 4.56 0.00 1.56 1.54 0.00 1.68 0.00 0.00 1.51 0.00 0.00 2.63 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.37 1.21 7.81 44 M 8.45 4.34 0.00 1.73 1.85 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 2.54 2.72 0.00 45 L 8.36 4.60 0.00 1.49 1.52 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.65 4.70 0.00 2.98 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 0.00 0.00 0.00 *49 T 8.83 4.21 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 1.19 0.00 0.00 50 G 8.11 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 51 T 9.92 4.11 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 1.23 0.00 0.00 52 G 8.71 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.49 4.07 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 54 A 8.53 3.82 -0.12 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 55 I 7.36 5.04 1.77 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.45 1.00 0.00 0.00 56 T 8.91 4.83 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 1.21 0.00 0.00 57 V 8.64 3.93 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 0.76 0.00 0.00 0.97 0.00 0.00 58 T 7.54 4.81 4.17 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 0.00 0.00 1.24 0.00 0.00 59 P 0.00 4.23 0.00 1.82 1.78 0.00 3.25 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.00 60 E 9.67 4.65 0.00 1.92 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 2.45 2.37 0.00 61 A 7.87 4.52 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 62 N 9.17 5.20 0.00 2.94 3.02 0.00 0.00 6.77 7.22 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 63 M 8.61 4.21 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 64 D 9.28 5.00 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 65 Q 7.73 5.19 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.29 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 66 E 9.13 4.71 0.00 1.74 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 2.23 2.42 0.00 67 S 8.22 5.34 0.00 3.65 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 68 F 9.47 5.32 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 69 G 9.40 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.56 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.03 4.04 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 72 S 7.79 4.15 0.00 4.14 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 73 C 8.31 4.53 0.00 3.10 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 74 C 7.38 4.56 0.00 3.03 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 75 L 8.38 3.59 0.00 1.35 0.85 0.35 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.01 3.78 0.00 2.60 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 77 C 7.90 4.06 0.00 3.17 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 78 R 8.12 3.81 0.00 1.74 1.82 0.00 3.21 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 79 C 7.82 4.21 0.00 2.76 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 80 H 7.65 4.01 0.00 3.28 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.21 4.52 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.83 0.00 0.00 82 D 8.30 4.43 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 8.20 4.07 0.00 2.77 2.89 0.00 5.84 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.68 0.00 1.98 1.85 0.00 2.55 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 85 N 7.60 4.28 0.00 2.68 2.93 0.00 0.00 6.96 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 F 7.43 4.43 0.00 2.90 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 90 C 9.06 4.57 0.00 2.26 2.83 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 91 D 8.67 4.97 0.00 2.82 2.75 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 0.00 0.00 0.00 92 L 7.73 4.63 0.00 1.73 1.73 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.92 4.19 0.00 1.86 1.80 0.00 1.88 0.00 0.00 2.05 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.48 7.81 94 G 8.96 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.10 4.49 0.00 1.82 1.82 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.32 7.81 96 Y 8.78 5.18 0.00 3.00 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 97 V 9.20 4.95 2.31 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 1.26 0.00 0.00 1.08 0.00 0.00 98 Q 9.18 5.19 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.35 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 99 I 9.00 4.23 1.93 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.81 0.26 0.00 0.00 100 P 0.00 4.50 0.00 1.83 1.99 0.00 2.31 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.08 0.00 101 T 8.89 3.84 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 1.24 0.00 0.00 102 T 7.95 4.01 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 0.00 103 C 8.05 4.64 0.00 2.67 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 0.00 104 A 7.79 4.12 1.45 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 0.00 0.00 0.00 105 N 7.92 4.57 0.00 2.84 2.97 0.00 0.00 5.80 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 0.00 106 D 7.97 4.80 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.03 0.00 1.72 1.14 0.00 3.47 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 1.37 1.55 0.00 108 V 7.07 4.06 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 0.98 0.00 0.00 0.77 0.00 0.00 109 G 8.44 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 0.00 0.00 0.00 110 F 8.63 3.66 0.00 3.09 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 0.00 111 T 7.60 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 1.49 0.00 0.00 112 L 7.27 4.19 0.00 1.97 1.81 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.86 4.21 0.00 1.48 1.83 0.00 3.01 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 114 N 6.98 5.02 0.00 1.63 2.43 0.00 0.00 6.73 8.28 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 0.00 115 T 8.29 4.96 4.38 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 1.30 0.00 0.00 116 V 8.53 4.19 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 0.52 0.00 0.00 0.27 0.00 0.00 117 C 9.60 4.63 0.00 3.04 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 0.00 118 T 8.83 3.89 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 1.22 0.00 0.00 119 V 7.67 3.97 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 0.84 0.00 0.00 0.94 0.00 0.00 120 C 8.16 4.32 0.00 3.10 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 0.00 121 G 8.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 M 7.31 4.77 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 123 W 8.42 5.05 0.00 3.73 3.37 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 0.00 124 K 9.38 4.34 0.00 2.02 1.86 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 125 G 9.75 3.84 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 0.00 0.00 0.00 126 Y 7.85 4.92 0.00 3.22 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 0.00 127 G 8.57 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 0.00 128 C 8.37 3.80 0.00 3.02 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 0.00 129 S 8.68 4.10 0.00 4.03 3.85 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 * Residues marked with a * may have inaccurate shift predictions.