NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3336 8.1127 121.1276 56.2574 32.0315 173.5362 3 V 4.5003 8.4213 125.7603 61.0925 33.1003 173.1992 4 D 4.7906 9.5734 129.7462 53.0842 42.6290 174.7379 5 Q 5.1911 8.6300 125.5278 54.4732 31.0595 174.6292 6 T 4.9035 9.0422 115.9200 59.4147 72.8794 171.8626 7 P 4.8229 0.0000 0.0000 62.3727 32.7488 176.1298 8 Q 4.4142 8.5376 116.6545 58.4114 29.7371 176.5206 9 T 5.2915 7.7291 106.5667 60.1162 72.2333 173.6889 10 I 4.7333 8.9609 123.4595 60.0144 41.6495 174.3036 11 T 5.0886 8.5817 122.0738 61.8384 71.3809 173.3547 12 K 4.8366 9.1457 124.8024 54.5706 37.3400 175.3531 13 E 4.5795 9.1176 121.0377 55.5247 31.1777 176.6048 14 T 4.1048 8.0164 118.9424 65.8767 68.9595 174.2425 15 G 3.9508 9.2275 114.9448 45.2478 0.0000 173.3268 16 E 4.5233 7.8088 119.2428 55.6648 31.6118 175.4073 17 S 5.2572 8.3651 114.1031 56.8561 66.5186 172.9995 18 L 4.8582 8.5679 119.3053 54.5914 44.2821 175.2316 19 T 4.9590 8.2332 115.3557 62.0358 72.0808 173.2835 20 I 4.6602 8.5845 127.2721 59.6266 40.0362 174.3538 21 N 5.3646 9.3741 123.5414 51.7030 41.8341 172.9645 22 C 5.3780 9.0768 119.8499 55.1326 40.1412 173.3173 23 V 4.9029 8.2563 121.1280 61.2798 34.8379 173.5558 24 L 4.8978 8.9027 130.7485 54.3938 42.6153 175.6282 25 R 4.6628 8.9160 124.7808 53.6281 34.2111 174.6600 26 D 4.3943 8.5103 116.6700 54.7750 38.3211 174.1328 27 S 4.7816 7.4993 109.4799 57.4203 65.5426 173.4180 28 N 4.6189 9.2482 123.8419 54.5225 38.8697 175.2722 29 C 4.4348 8.1224 116.7622 56.4331 40.8842 173.3826 30 A 4.2146 8.2565 126.4728 51.5925 18.8498 177.4160 31 L 4.1965 8.2789 123.5221 54.6910 41.5063 175.9084 32 S 4.6373 8.4134 122.2003 59.9451 64.6804 174.9908 33 S 4.6901 7.8587 113.5119 57.4346 67.5841 173.6285 34 T 4.6728 7.4993 111.1478 60.5610 71.5488 172.4994 35 Y 4.7332 8.7468 120.7296 56.0741 42.6692 174.3052 36 W 5.4474 8.4010 120.4067 55.2882 33.5415 173.8961 37 Y 5.5459 9.3554 120.1838 56.5734 42.2139 174.4775 38 R 4.9247 9.1032 117.2515 54.6123 33.5981 173.6893 39 K 4.9048 8.5213 122.5704 53.5054 34.4347 175.7060 40 K 4.5416 8.5765 126.9517 56.0557 33.5864 176.6317 41 S 4.2404 8.0341 117.4176 59.7677 62.6905 174.3060 42 G 4.0917 8.9608 116.3703 45.7166 0.0000 173.6595 43 S 4.4144 7.8803 113.6379 58.0309 63.0668 173.6595 44 T 4.1152 8.1838 112.9616 63.0598 69.1293 174.3653 45 N 4.5238 8.0341 122.1570 52.7991 39.7541 173.7724 46 E 4.6701 8.7272 128.5312 55.8428 30.5181 175.2662 47 E 4.8262 9.4383 127.2591 54.6857 32.2970 175.6671 48 S 4.7796 8.7068 119.2967 58.6161 64.0251 173.6866 49 I 3.9670 8.2814 125.6262 60.0033 37.8761 175.6517 50 S 4.2943 8.3609 122.7855 56.9798 62.4298 173.8432 51 K 3.9790 8.4781 127.9575 57.2448 32.6272 175.8187 52 G 4.1994 9.8952 108.3393 44.2642 0.0000 178.0724 53 G 3.8916 8.3153 111.8020 46.9087 0.0000 177.4788 54 R 3.8226 8.7523 127.5632 57.6388 30.3729 174.8013 55 Y 4.7020 7.9445 116.6271 56.6786 39.0572 175.1838 56 V 4.3951 8.7968 126.9040 61.0246 33.0263 174.1864 57 E 4.8693 8.6452 129.2301 55.8323 30.9509 175.4911 58 T 4.7839 9.0021 121.9226 61.7443 72.4147 172.9990 59 V 4.8632 8.5609 124.8786 61.0759 34.8339 174.2207 60 N 4.8290 9.4055 126.4689 51.9455 40.3620 175.0476 61 S 4.1651 8.8580 124.0835 61.4656 63.4797 177.3301 62 G 3.6091 8.3440 108.4516 48.3319 0.0000 174.1739 63 S 4.5207 8.4822 111.7151 56.8489 63.7514 173.8505 64 K 3.9069 7.7971 120.0844 58.2597 30.2799 174.4406 65 S 5.5628 8.0653 113.2115 56.8528 66.2079 174.2533 66 F 5.6410 9.2983 118.2239 55.7368 41.4690 173.5629 67 S 5.3401 9.5727 116.4248 56.8425 67.7707 172.5210 68 L 4.6072 8.3415 124.0642 53.1450 44.4556 174.8855 69 R 4.7867 8.7981 127.4821 54.7771 32.3288 174.6333 70 I 4.7283 8.6075 127.4770 59.6862 39.4662 174.6568 71 N 4.9079 8.7296 125.0313 51.7226 40.5163 174.5053 72 D 4.4344 8.3672 117.7480 54.8804 38.4947 174.6774 73 L 4.1880 8.0239 119.1791 55.5592 42.7204 177.4064 74 T 4.9231 8.8206 111.7033 59.2673 71.9216 175.2032 75 V 3.8590 8.3341 114.4128 64.0226 31.5463 178.1486 76 E 4.2623 7.6552 116.1397 57.8400 29.3601 177.0163 77 D 4.8452 8.1460 118.4634 54.6678 41.0089 176.8022 78 S 4.5436 8.2673 117.6902 57.6272 64.2306 174.4325 79 G 4.0244 8.1191 109.9889 46.9418 0.0000 170.4182 80 T 5.2696 8.0672 116.8483 62.2963 70.4624 173.9491 81 Y 5.2827 9.3312 124.5805 56.5913 40.6664 175.1477 82 R 5.5254 9.4444 121.3727 54.8024 35.1430 171.7604 83 C 4.9071 8.8366 115.1791 53.7672 46.0351 172.7041 84 K 4.7538 8.5049 121.4348 54.6467 35.0344 173.7413 85 P 4.7965 0.0000 0.0000 62.4250 32.9680 175.1962 86 E 4.9285 8.9460 119.2171 54.8971 33.8344 174.9153 87 S 4.9116 8.7735 118.4482 56.8398 66.0299 176.0079 88 R 3.9700 8.0715 120.8512 55.7716 31.5014 176.0107 *93 D 4.2403 8.4692 118.2660 54.5876 41.4205 176.5324 94 A 3.9692 8.6163 129.0595 55.4686 18.1196 178.5459 95 E 3.9028 7.7588 115.5521 59.3813 30.0304 177.7641 96 C 4.4870 8.6622 116.2464 58.6944 34.8657 175.6434 97 A 3.9730 8.0178 122.0714 54.9736 17.6772 178.4222 98 A 5.2717 7.5538 118.1534 52.2360 19.6045 178.4356 99 L 4.4841 7.7527 123.3553 56.8009 42.9479 175.8359 100 N 5.0870 7.7186 115.4130 53.6636 38.9996 175.4215 101 D 4.8136 7.9062 116.6239 52.5488 41.1901 174.8393 102 Q 4.7407 7.8948 119.1096 54.9755 29.8895 174.3953 103 Y 4.9056 8.4107 118.9672 55.5654 41.6887 175.6005 104 G 3.8239 8.7547 111.2053 45.6672 0.0000 174.3699 105 G 3.7108 8.4690 107.9772 45.6166 0.0000 174.5818 106 G 4.1628 8.4505 106.7763 45.1814 0.0000 173.4755 107 T 4.8365 8.8198 116.2260 61.5816 72.5924 173.2837 108 V 4.4173 9.0238 127.9279 62.2869 32.9488 174.6746 109 V 4.8626 9.1773 128.6270 61.4128 34.1984 174.2139 110 T 4.8378 8.9832 124.3296 61.7826 71.2147 172.9235 111 V 4.7906 8.8984 127.3955 61.1552 33.9753 174.2862 112 N 4.8373 8.9959 125.6720 51.9797 40.2716 174.6086 113 A 4.3371 8.7068 123.8688 52.6737 19.0656 177.4819 114 A 4.1542 8.3177 123.8631 52.4157 19.4614 175.7240 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 R 8.11 4.33 0.00 1.93 1.87 0.00 3.13 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 3 V 8.42 4.50 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 0.81 0.00 0.00 0.98 0.00 0.00 4 D 9.57 4.79 0.00 2.57 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 5 Q 8.63 5.19 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 6 T 9.04 4.90 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 1.21 0.00 0.00 7 P 0.00 4.82 0.00 2.20 2.12 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 8 Q 8.54 4.41 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 9 T 7.73 5.29 4.33 0.00 0.00 0.00 0.00 0.00 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 10 I 8.96 4.73 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.87 0.00 0.00 11 T 8.58 5.09 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 1.26 0.00 0.00 12 K 9.15 4.84 0.00 1.57 1.71 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.49 7.81 13 E 9.12 4.58 0.00 1.89 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 2.29 2.42 0.00 14 T 8.02 4.10 4.32 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 1.24 0.00 0.00 15 G 9.23 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 0.00 0.00 0.00 16 E 7.81 4.52 0.00 2.04 1.88 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 2.30 2.35 0.00 17 S 8.37 5.26 0.00 3.92 3.75 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 18 L 8.57 4.86 0.00 1.64 1.65 0.69 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.23 4.96 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 1.19 0.00 0.00 20 I 8.58 4.66 1.83 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 1.20 0.53 1.17 0.00 0.00 21 N 9.37 5.36 0.00 2.55 2.67 0.00 0.00 6.56 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 22 C 9.08 5.38 0.00 1.36 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 0.00 0.00 0.00 23 V 8.26 4.90 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 0.96 0.00 0.00 0.92 0.00 0.00 24 L 8.90 4.90 0.00 1.82 1.66 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.92 4.66 0.00 1.64 1.81 0.00 3.56 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 26 D 8.51 4.39 0.00 2.79 2.71 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 27 S 7.50 4.78 0.00 3.78 3.68 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 28 N 9.25 4.62 0.00 2.90 2.85 0.00 0.00 7.02 7.35 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 29 C 8.12 4.43 0.00 2.94 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 30 A 8.26 4.21 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 31 L 8.28 4.20 0.00 1.57 1.58 0.64 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.41 4.64 0.00 3.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.86 4.69 0.00 3.68 3.55 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 34 T 7.50 4.67 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 35 Y 8.75 4.73 0.00 2.87 2.43 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 0.00 36 W 8.40 5.45 0.00 3.18 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 9.36 5.55 0.00 3.09 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 38 R 9.10 4.92 0.00 1.03 1.13 0.00 2.33 0.00 0.00 2.88 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.41 0.00 39 K 8.52 4.90 0.00 1.78 1.65 0.00 1.66 0.00 0.00 2.03 0.00 0.00 2.79 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.28 1.18 7.81 40 K 8.58 4.54 0.00 1.75 1.72 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.59 7.81 41 S 8.03 4.24 0.00 3.89 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 42 G 8.96 4.09 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 0.00 0.00 0.00 43 S 7.88 4.41 0.00 3.83 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 44 T 8.18 4.12 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 1.20 0.00 0.00 45 N 8.03 4.52 0.00 2.90 2.74 0.00 0.00 6.71 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.73 4.67 0.00 1.94 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 2.30 2.35 0.00 47 E 9.44 4.83 0.00 1.98 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 2.24 2.41 0.00 48 S 8.71 4.78 0.00 3.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.28 3.97 2.03 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.43 0.45 0.00 0.00 50 S 8.36 4.29 0.00 3.79 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 51 K 8.48 3.98 0.00 1.79 1.75 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.18 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.47 7.81 52 G 9.90 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 0.00 0.00 0.00 0.00 53 G 8.32 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.75 3.82 0.00 1.39 1.77 0.00 3.15 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 55 Y 7.94 4.70 0.00 3.06 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 56 V 8.80 4.40 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 0.99 0.00 0.00 0.89 0.00 0.00 57 E 8.65 4.87 0.00 2.03 1.86 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 2.42 2.79 0.00 58 T 9.00 4.78 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 59 V 8.56 4.86 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 1.00 0.00 0.00 60 N 9.41 4.83 0.00 2.76 2.71 0.00 0.00 6.99 7.35 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 61 S 8.86 4.17 0.00 3.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.34 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 63 S 8.48 4.52 0.00 4.02 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 64 K 7.80 3.91 0.00 2.16 1.96 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.41 7.81 65 S 8.07 5.56 0.00 3.85 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 66 F 9.30 5.64 0.00 3.27 3.02 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 67 S 9.57 5.34 0.00 3.77 3.79 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 68 L 8.34 4.61 0.00 0.27 0.38 0.50 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.80 4.79 0.00 1.81 1.67 0.00 3.04 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 70 I 8.61 4.73 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.53 0.00 0.00 71 N 8.73 4.91 0.00 2.46 2.64 0.00 0.00 7.12 8.69 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 72 D 8.37 4.43 0.00 2.73 2.66 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 0.00 0.00 0.00 0.00 73 L 8.02 4.19 0.00 1.69 1.58 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.82 4.92 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 1.26 0.00 0.00 75 V 8.33 3.86 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 1.04 0.00 0.00 0.95 0.00 0.00 76 E 7.66 4.26 0.00 2.14 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 2.37 2.45 0.00 77 D 8.15 4.85 0.00 2.82 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 78 S 8.27 4.54 0.00 3.90 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 79 G 8.12 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 80 T 8.07 5.27 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 1.28 0.00 0.00 81 Y 9.33 5.28 0.00 3.01 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 82 R 9.44 5.53 0.00 1.96 1.92 0.00 3.11 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 83 C 8.84 4.91 0.00 1.98 1.49 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 84 K 8.50 4.75 0.00 1.80 1.75 0.00 1.15 0.00 0.00 1.56 0.00 0.00 2.60 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.02 0.43 7.81 85 P 0.00 4.80 0.00 2.01 1.89 0.00 3.89 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 1.92 2.04 0.00 86 E 8.95 4.93 0.00 2.00 1.85 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 2.18 2.32 0.00 87 S 8.77 4.91 0.00 3.87 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 88 R 8.07 3.97 0.00 1.79 1.90 0.00 3.22 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 *93 D 8.47 4.24 0.00 2.77 2.63 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 94 A 8.62 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 3.90 0.00 1.98 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 0.00 2.32 2.35 0.00 96 C 8.66 4.49 0.00 3.07 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 97 A 8.02 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.55 5.27 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 99 L 7.75 4.48 0.00 1.77 1.77 0.95 0.56 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 0.00 100 N 7.72 5.09 0.00 2.69 2.75 0.00 0.00 6.72 9.28 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 0.00 101 D 7.91 4.81 0.00 2.86 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 0.00 102 Q 7.89 4.74 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 103 Y 8.41 4.91 0.00 2.84 2.86 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 0.00 104 G 8.75 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 0.00 105 G 8.47 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 0.00 0.00 0.00 106 G 8.45 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 0.00 107 T 8.82 4.84 4.36 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 1.28 0.00 0.00 108 V 9.02 4.42 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 1.04 0.00 0.00 0.98 0.00 0.00 109 V 9.18 4.86 2.41 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 1.04 0.00 0.00 0.74 0.00 0.00 110 T 8.98 4.84 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 1.28 0.00 0.00 111 V 8.90 4.79 2.22 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 0.98 0.00 0.00 0.94 0.00 0.00 112 N 9.00 4.84 0.00 2.82 2.71 0.00 0.00 6.43 7.36 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 0.00 113 A 8.71 4.34 1.23 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 0.00 0.00 114 A 8.32 4.15 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 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.