NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3283 8.3144 120.1416 56.3395 34.4971 176.9451 7 K 3.8615 8.1725 119.3144 58.1539 32.4078 174.8617 8 P 4.0797 0.0000 0.0000 62.5334 32.6360 174.5424 9 D 4.7167 8.0708 121.2953 52.8189 43.0092 176.4054 10 F 5.0340 8.4088 122.4905 57.5088 39.8774 177.6556 11 T 3.9242 7.8714 117.1444 66.7490 68.3280 176.1108 12 L 3.9218 7.8903 121.6045 57.8798 42.2453 178.3244 13 F 4.1677 8.3402 120.1667 61.6168 39.3516 176.9775 14 L 3.8664 8.6292 118.7311 57.6700 40.8136 179.5804 15 Q 3.9648 8.1537 118.3688 59.1455 28.7007 178.8296 16 T 3.9450 7.6297 110.1639 63.7060 69.0249 176.8301 17 L 3.6243 7.9164 124.1133 57.9531 42.0872 178.8299 18 S 3.0842 7.8179 114.5038 61.0617 62.4478 176.6890 19 W 3.8718 7.7857 121.3316 59.2867 28.8416 178.2156 20 E 3.9898 8.2610 119.3258 59.3217 29.1925 178.9380 21 I 3.7639 7.9730 119.9591 64.5512 37.2156 178.0135 22 D 4.4348 8.0870 119.6888 57.6695 40.4403 178.5697 23 D 4.3574 7.7867 116.7483 57.1038 41.2688 177.8757 24 Q 4.2334 7.8632 117.5751 57.7341 29.0072 177.0660 25 V 4.2421 7.6871 109.6281 59.7560 34.1606 176.8291 26 G 4.1399 8.1209 105.0873 45.5798 0.0000 174.4326 27 I 3.6652 8.3902 120.0725 64.5030 37.0632 178.3259 28 E 3.8480 8.0048 119.0988 59.3398 29.7373 178.5781 29 V 3.5634 7.7804 117.7894 66.0177 31.4180 177.5859 30 R 3.8340 7.8519 117.8618 59.6907 29.9522 178.0784 31 N 4.1432 8.3047 116.3355 56.4001 38.5363 177.2924 32 E 3.9188 8.0671 119.5947 59.1732 29.5722 178.9246 33 L 3.8943 8.3122 120.7221 58.3958 42.1523 179.1292 34 L 3.8623 8.0061 118.9075 57.7593 41.4560 179.8296 35 R 4.2408 7.9596 119.4579 58.6385 30.0201 178.6863 36 E 3.9050 8.1008 119.1617 59.0711 29.3704 179.0204 37 V 3.6230 7.7451 117.8257 65.8284 31.7478 177.8102 38 G 3.5615 7.9698 105.4423 47.9377 0.0000 175.8729 39 R 4.0642 7.7741 119.5407 58.5185 30.4403 180.0886 40 G 3.7723 8.0248 104.8100 44.7917 0.0000 175.3534 *42 G 3.7510 8.1254 110.4408 44.7138 0.0000 174.3649 43 T 4.3922 7.5382 107.9994 61.6987 69.5837 175.4229 44 R 4.4201 7.9094 120.6764 56.6981 31.8328 176.0851 45 I 4.5509 7.3482 108.6642 58.0886 40.5185 172.6268 *47 P 3.9412 0.0000 0.0000 61.5983 32.0095 174.2256 48 P 4.4726 0.0000 0.0000 61.2407 32.2035 173.9023 49 P 4.3681 0.0000 0.0000 62.7005 31.5681 175.3914 50 C 4.7744 9.2695 121.7129 57.8047 30.2147 174.2993 51 Q 4.1263 8.7412 122.9451 58.2514 28.9164 176.9919 52 T 4.8808 7.3856 106.5794 59.2373 73.1009 175.0142 53 V 3.5680 8.7892 121.7279 66.0752 31.4006 177.7202 54 D 4.3292 8.0996 117.3642 57.5918 41.0404 178.4681 55 K 4.0236 7.9469 118.2618 59.0818 31.9418 179.2378 56 L 3.8954 7.9315 120.9557 57.8112 41.9860 178.3956 57 Q 3.9491 8.4624 120.1065 59.5535 28.9865 178.7375 58 I 3.6781 7.4535 120.2614 64.5825 37.2145 178.3253 59 E 3.8868 8.0612 119.1857 59.3353 29.2553 179.4636 60 L 3.4714 8.1242 119.3972 57.7427 41.7408 179.3681 61 N 4.4185 8.3729 116.1551 55.9986 38.2445 177.4289 62 A 3.9919 7.8187 122.0685 54.9660 18.1756 179.5723 63 L 3.8822 7.6407 117.4164 58.0689 41.6890 179.8612 64 L 4.1747 8.2147 118.5095 57.5149 41.0257 179.3601 65 A 4.1306 7.9802 120.9916 54.8236 18.0470 179.3560 66 L 3.9605 7.6955 119.1854 57.4851 42.2313 177.6331 67 I 4.3190 7.3313 109.0771 59.7874 38.3509 175.2516 68 G 3.9405 7.7141 108.2279 47.2652 0.0000 174.3336 69 W 4.6618 8.4980 116.7025 56.1148 29.8437 176.7363 70 G 4.4045 8.9247 103.7719 44.9486 0.0000 172.9288 71 T 5.1618 8.2651 108.1031 59.9920 72.7426 173.3785 72 V 5.0966 9.4013 121.8734 60.2404 34.8369 174.6668 73 T 4.8055 8.8542 113.2262 60.0282 71.2780 172.8550 74 L 5.1214 9.6617 125.6609 53.1552 44.2029 175.8858 75 E 4.4305 8.7378 123.3359 54.5126 32.9196 174.0679 76 L 4.6109 8.6175 130.3645 54.1029 42.7554 176.1869 77 L 4.2075 8.8227 128.5998 55.2786 41.9909 178.6300 78 S 4.0662 8.5707 119.8941 61.0598 63.0098 175.5878 79 E 4.6966 7.6758 120.6956 55.5945 31.0132 174.4029 80 D 4.6988 8.4031 120.2894 53.0161 42.1384 176.5199 81 Q 3.5782 8.0736 119.6582 57.1584 27.6167 172.2103 82 S 5.1742 7.8968 108.3967 55.9253 67.4777 171.9657 83 L 5.0176 8.3448 121.1643 53.2169 44.8405 174.8551 84 R 3.8136 9.2736 128.1599 55.6407 31.6097 174.8640 85 I 4.5158 7.8930 127.2633 59.5311 39.7018 174.6236 86 V 4.4869 8.4124 128.0670 61.4224 33.7187 173.5921 87 H 5.2609 9.2940 129.4083 54.6040 31.9639 172.8913 88 E 4.7803 9.3082 125.7346 55.0184 31.8432 175.6810 89 N 4.0813 8.6192 118.1601 53.8584 35.5577 175.0423 90 L 4.0261 8.0278 119.2734 54.4987 43.0095 174.7727 91 P 4.0929 0.0000 0.0000 62.9149 31.7203 175.4366 92 Q 4.5756 8.3513 123.6387 55.1374 30.4916 175.4781 93 V 4.3951 7.8994 123.0188 62.1583 32.5410 175.6210 94 G 3.8338 8.0013 109.7274 45.2382 0.0000 173.4712 95 S 4.5967 8.5596 111.9698 58.0992 64.2202 174.0177 96 A 4.1488 7.7319 124.8325 52.7391 18.6950 176.6121 97 G 4.2996 9.2756 105.2274 45.0169 0.0000 173.3330 98 E 4.4606 8.1587 116.9586 53.5904 31.8964 174.2884 99 P 4.5519 0.0000 0.0000 61.5780 32.4583 175.8768 100 S 4.7747 7.8777 113.9371 60.0011 62.8933 175.3910 101 G 4.4416 9.1418 113.8911 45.2194 0.0000 174.0138 102 T 4.5851 7.6826 109.2901 60.8929 69.2405 176.2788 103 W 4.2630 8.6683 134.2761 61.8234 30.6729 177.1603 104 L 4.1959 8.0663 115.0241 55.1805 40.8940 178.3577 105 A 4.0107 8.1192 123.1437 54.8702 18.2211 178.1327 106 P 4.3176 0.0000 0.0000 65.1774 31.2242 178.9707 107 V 3.7216 7.4972 117.2664 65.9390 31.3870 177.7590 108 L 3.7571 7.6211 118.3784 57.9526 41.5625 179.2755 109 E 4.1271 8.2117 117.9464 59.6240 29.5524 179.5470 110 G 3.5707 7.8804 104.8050 46.9719 0.0000 175.6552 111 L 3.6129 7.5521 124.1635 57.7266 41.9872 178.7033 112 Y 4.4647 8.0403 116.9728 60.5820 37.8787 178.4572 113 G 3.5837 7.9821 106.7430 47.6619 0.0000 175.8772 114 R 3.8716 7.7765 120.9563 58.8819 29.9464 178.5956 115 W 4.4498 8.1522 117.8662 59.8775 29.3922 178.4999 116 V 3.8338 8.3237 118.3244 66.3920 30.8370 178.0238 117 T 3.9379 7.6015 113.8266 66.8050 68.4089 175.9833 118 S 4.2474 7.8682 112.6124 59.2769 62.5720 173.7534 119 Q 4.4469 7.5193 119.7164 54.1497 30.5435 175.1350 120 A 3.9298 8.3044 122.8904 53.9350 18.2805 176.4528 121 G 3.2219 7.9795 116.1334 45.3837 0.0000 171.7164 122 A 4.8598 7.2577 122.8419 50.4217 21.9573 175.9498 123 F 4.6983 8.6726 115.1496 57.1337 39.3695 175.3487 124 G 3.9705 7.9419 107.6774 43.9446 0.0000 173.9403 125 D 4.8931 7.8421 117.0446 53.6727 39.5749 177.4699 126 Y 4.2272 7.5115 119.4333 60.9708 37.9213 176.2811 127 V 4.2200 7.7923 120.4800 60.9656 32.8566 174.4218 128 V 4.5148 8.3826 127.7116 61.2711 33.4057 174.4788 129 T 4.6848 8.3646 119.2771 60.3049 70.1518 174.6504 130 R 4.5360 8.5570 122.2673 55.3566 31.1503 175.3130 131 D 4.6760 8.9261 122.7813 53.7285 41.6942 176.6553 132 V 3.8871 8.5111 126.4952 65.9071 31.8459 177.4957 133 D 5.3170 8.3830 119.4674 55.9170 38.9311 178.3353 134 A 4.0042 8.1164 121.5931 55.1437 18.6929 179.1803 135 E 4.0968 8.0180 115.7228 58.3868 29.4689 178.0934 136 D 4.9607 7.7103 117.6270 52.8737 39.7415 177.4132 137 L 4.0249 8.0146 122.6169 58.3637 42.5834 178.1958 138 N 4.4814 8.1959 113.8445 53.2876 39.6784 173.8613 139 A 3.6098 7.7100 123.5200 52.4561 15.1835 175.2591 140 V 4.1640 8.0167 118.8925 60.1400 33.4577 174.4679 141 P 4.4274 0.0000 0.0000 62.4701 31.9141 177.1275 142 R 3.8933 8.6559 120.2499 59.3576 30.1643 177.3427 143 Q 4.4801 7.9797 113.8821 55.8396 29.2179 174.3510 144 T 4.8844 7.6833 116.0596 62.9254 69.4687 174.2243 145 I 4.6068 8.9976 128.2290 59.7517 39.4580 175.0651 146 I 5.2034 8.3340 127.2101 59.2960 40.2626 174.8639 *148 Y 4.9720 7.9145 120.4418 58.0439 39.9153 173.4582 *150 R 4.5885 8.3499 119.1006 56.7407 30.8202 175.3286 151 V 4.2951 9.0098 125.1649 60.2250 34.0677 174.9192 152 R 3.9835 9.5588 122.5160 57.4054 30.2033 178.0491 153 S 4.7561 7.4591 114.4991 56.6389 67.0316 173.6955 154 S 4.3520 8.5059 116.3931 57.9991 63.9561 175.7418 155 A 4.3326 8.3989 131.3658 51.6521 17.6446 177.1802 156 T 3.7682 7.6002 121.5334 63.6484 68.6711 172.9135 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 6 K 8.31 4.33 0.00 1.78 1.96 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.47 7.81 7 K 8.17 3.86 0.00 1.76 1.79 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.54 7.81 8 P 0.00 4.08 0.00 1.56 1.56 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 9 D 8.07 4.72 0.00 2.53 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 0.00 0.00 0.00 0.00 10 F 8.41 5.03 0.00 3.22 3.14 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 11 T 7.87 3.92 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 1.26 0.00 0.00 12 L 7.89 3.92 0.00 1.73 1.70 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.34 4.17 0.00 3.29 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.63 3.87 0.00 1.91 1.64 1.09 1.19 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 15 Q 8.15 3.96 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 16 T 7.63 3.94 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 1.14 0.00 0.00 17 L 7.92 3.62 0.00 0.88 1.37 0.84 0.77 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 18 S 7.82 3.08 0.00 2.72 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 19 W 7.79 3.87 0.00 3.41 3.31 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 20 E 8.26 3.99 0.00 2.19 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 2.32 2.41 0.00 21 I 7.97 3.76 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.06 1.08 0.00 0.00 22 D 8.09 4.43 0.00 2.90 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 23 D 7.79 4.36 0.00 2.75 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 Q 7.86 4.23 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.49 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 25 V 7.69 4.24 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 0.71 0.00 0.00 1.00 0.00 0.00 26 G 8.12 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 27 I 8.39 3.67 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.89 0.00 0.00 28 E 8.00 3.85 0.00 2.02 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 2.36 2.35 0.00 29 V 7.78 3.56 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 0.87 0.00 0.00 0.93 0.00 0.00 30 R 7.85 3.83 0.00 2.01 2.19 0.00 3.64 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.72 0.00 31 N 8.30 4.14 0.00 2.82 2.79 0.00 0.00 7.11 8.33 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 32 E 8.07 3.92 0.00 2.15 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 2.31 2.45 0.00 33 L 8.31 3.89 0.00 1.69 1.87 0.93 0.74 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 34 L 8.01 3.86 0.00 1.77 1.47 0.55 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.96 4.24 0.00 1.95 1.92 0.00 3.25 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 36 E 8.10 3.90 0.00 2.25 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 2.29 2.33 0.00 37 V 7.75 3.62 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 0.83 0.00 0.00 0.94 0.00 0.00 38 G 7.97 3.56 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 0.00 0.00 0.00 39 R 7.77 4.06 0.00 1.87 1.90 0.00 3.27 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 40 G 8.02 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 0.00 0.00 0.00 *42 G 8.13 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 0.00 0.00 0.00 43 T 7.54 4.39 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 44 R 7.91 4.42 0.00 1.76 1.98 0.00 3.09 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 45 I 7.35 4.55 1.93 0.00 0.00 1.00 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 0.98 0.92 0.00 0.00 *47 P 0.00 3.94 0.00 2.06 1.78 0.00 3.64 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 48 P 0.00 4.47 0.00 2.16 2.08 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 49 P 0.00 4.37 0.00 2.18 2.09 0.00 3.70 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 1.96 1.96 0.00 50 C 9.27 4.77 0.00 2.98 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 51 Q 8.74 4.13 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 52 T 7.39 4.88 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 1.20 0.00 0.00 53 V 8.79 3.57 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 0.93 0.00 0.00 0.98 0.00 0.00 54 D 8.10 4.33 0.00 2.74 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 55 K 7.95 4.02 0.00 1.98 1.81 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.42 7.81 56 L 7.93 3.90 0.00 1.84 1.80 0.92 0.53 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 57 Q 8.46 3.95 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 58 I 7.45 3.68 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 0.88 0.00 0.00 59 E 8.06 3.89 0.00 2.00 1.82 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 2.44 2.41 0.00 60 L 8.12 3.47 0.00 1.94 1.80 0.54 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.37 4.42 0.00 2.74 2.88 0.00 0.00 6.92 7.65 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 62 A 7.82 3.99 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 63 L 7.64 3.88 0.00 1.53 1.55 0.78 -0.21 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 64 L 8.21 4.17 0.00 1.84 2.01 1.23 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.98 4.13 1.44 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 0.00 0.00 0.00 66 L 7.70 3.96 0.00 1.75 1.91 0.93 1.14 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 67 I 7.33 4.32 1.91 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 0.88 0.00 0.00 68 G 7.71 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 0.00 0.00 0.00 69 W 8.50 4.66 0.00 3.32 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 70 G 8.92 4.40 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 0.00 0.00 0.00 71 T 8.27 5.16 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 1.24 0.00 0.00 72 V 9.40 5.10 2.35 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 0.91 0.00 0.00 0.86 0.00 0.00 73 T 8.85 4.81 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 74 L 9.66 5.12 0.00 1.45 1.57 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.74 4.43 0.00 1.97 1.72 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 2.20 2.24 0.00 76 L 8.62 4.61 0.00 1.68 1.60 0.98 1.05 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 77 L 8.82 4.21 0.00 1.97 1.65 1.06 0.94 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 78 S 8.57 4.07 0.00 3.99 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 79 E 7.68 4.70 0.00 1.94 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 2.22 2.26 0.00 80 D 8.40 4.70 0.00 2.80 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 81 Q 8.07 3.58 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.72 0.00 0.00 0.00 0.00 0.00 2.70 2.38 0.00 82 S 7.90 5.17 0.00 4.03 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 83 L 8.34 5.02 0.00 1.77 1.55 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.27 3.81 0.00 1.83 1.67 0.00 3.04 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.00 85 I 7.89 4.52 1.57 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 0.92 0.66 0.16 0.00 0.00 86 V 8.41 4.49 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 1.01 0.00 0.00 0.85 0.00 0.00 87 H 9.29 5.26 0.00 3.39 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.31 4.78 0.00 1.89 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 2.26 2.28 0.00 89 N 8.62 4.08 0.00 2.90 2.92 0.00 0.00 6.92 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 90 L 8.03 4.03 0.00 1.67 1.69 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.09 0.00 1.46 1.63 0.00 3.01 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.52 0.00 92 Q 8.35 4.58 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.49 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 93 V 7.90 4.40 2.12 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 0.77 0.00 0.00 1.06 0.00 0.00 94 G 8.00 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 0.00 0.00 0.00 95 S 8.56 4.60 0.00 4.09 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 96 A 7.73 4.15 1.17 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 0.00 0.00 0.00 97 G 9.28 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 4.46 0.00 1.89 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 2.19 2.33 0.00 99 P 0.00 4.55 0.00 2.23 2.20 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 100 S 7.88 4.77 0.00 3.90 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 0.00 101 G 9.14 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 0.00 0.00 0.00 0.00 102 T 7.68 4.59 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 1.29 0.00 0.00 103 W 8.67 4.26 0.00 3.36 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 0.00 104 L 8.07 4.20 0.00 1.77 1.61 1.30 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.12 4.01 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 0.00 106 P 0.00 4.32 0.00 1.99 2.01 0.00 3.42 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 107 V 7.50 3.72 2.37 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 1.01 0.00 0.00 1.00 0.00 0.00 108 L 7.62 3.76 0.00 2.06 1.84 1.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.21 4.13 0.00 2.14 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 2.43 2.56 0.00 110 G 7.88 3.57 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 0.00 111 L 7.55 3.61 0.00 1.28 1.07 -0.32 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.04 4.46 0.00 3.05 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 0.00 113 G 7.98 3.58 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 0.00 0.00 0.00 114 R 7.78 3.87 0.00 1.93 1.86 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 115 W 8.15 4.45 0.00 3.46 3.14 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 0.00 116 V 8.32 3.83 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 1.02 0.00 0.00 1.14 0.00 0.00 117 T 7.60 3.94 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 1.18 0.00 0.00 118 S 7.87 4.25 0.00 4.09 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 0.00 119 Q 7.52 4.45 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 120 A 8.30 3.93 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 0.00 121 G 7.98 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 0.00 0.00 0.00 122 A 7.26 4.86 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 0.00 123 F 8.67 4.70 0.00 3.11 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 0.00 124 G 7.94 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 0.00 125 D 7.84 4.89 0.00 2.65 2.70 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 0.00 126 Y 7.51 4.23 0.00 2.99 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 0.00 127 V 7.79 4.22 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 0.85 0.00 0.00 1.00 0.00 0.00 128 V 8.38 4.51 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 1.01 0.00 0.00 1.05 0.00 0.00 129 T 8.36 4.68 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 1.24 0.00 0.00 130 R 8.56 4.54 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 131 D 8.93 4.68 0.00 3.01 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 0.00 132 V 8.51 3.89 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 1.05 0.00 0.00 0.95 0.00 0.00 133 D 8.38 5.32 0.00 2.95 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 0.00 134 A 8.12 4.00 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 0.00 135 E 8.02 4.10 0.00 2.27 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 0.00 2.36 2.36 0.00 136 D 7.71 4.96 0.00 2.79 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 0.00 137 L 8.01 4.02 0.00 1.85 1.82 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.20 4.48 0.00 2.75 2.88 0.00 0.00 6.84 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 0.00 139 A 7.71 3.61 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 0.00 140 V 8.02 4.16 2.26 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 0.83 0.00 0.00 0.95 0.00 0.00 141 P 0.00 4.43 0.00 2.23 1.98 0.00 3.68 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 2.13 2.10 0.00 142 R 8.66 3.89 0.00 1.76 1.99 0.00 3.61 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 143 Q 7.98 4.48 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 144 T 7.68 4.88 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 1.26 0.00 0.00 145 I 9.00 4.61 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.08 0.94 0.00 0.00 146 I 8.33 5.20 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.94 0.75 0.00 0.00 *148 Y 7.91 4.97 0.00 2.97 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 *150 R 8.35 4.59 0.00 1.90 1.99 0.00 3.38 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.05 0.00 151 V 9.01 4.30 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 0.79 0.00 0.00 1.02 0.00 0.00 152 R 9.56 3.98 0.00 1.63 1.74 0.00 2.75 0.00 0.00 3.04 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.76 0.00 153 S 7.46 4.76 0.00 3.91 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 0.00 154 S 8.51 4.35 0.00 3.89 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 0.00 155 A 8.40 4.33 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.60 3.77 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.