NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 K 4.3263 8.5398 119.5307 56.5165 33.5156 174.6132 15 S 4.6562 7.8497 116.5635 55.0145 66.1593 173.3569 16 I 3.9042 9.3256 115.2217 63.6459 37.9590 178.3557 17 Y 4.5887 7.2864 117.5645 58.9602 37.6502 176.0956 18 E 4.3279 7.9455 119.5558 55.9608 29.8190 175.4993 19 F 4.6773 7.6697 117.0983 55.4520 41.8986 174.2900 20 Q 4.9622 8.5736 123.4418 54.7517 31.8642 174.7436 21 V 4.7534 8.4149 122.3233 61.8010 35.5631 173.2119 22 N 5.2049 9.0164 123.9537 52.9443 40.4834 175.1429 23 A 4.3602 8.7257 125.1578 50.7773 20.5595 178.4849 24 A 3.9176 8.4978 121.1532 55.7031 18.2442 179.1348 25 D 4.3084 8.0877 112.8228 54.8989 39.2568 177.6091 26 G 3.9536 8.2584 108.4505 45.2415 0.0000 173.1043 27 K 4.7016 8.2292 118.4505 53.4830 35.3600 173.7373 28 P 4.9040 0.0000 0.0000 62.7351 31.6764 175.3284 29 Y 4.7562 9.0759 124.2910 56.1842 39.7558 175.8544 30 D 4.4329 7.6704 125.9655 53.1909 39.9045 176.1517 31 L 3.9496 8.0354 126.2214 57.7167 42.5597 177.8788 32 S 3.9446 8.0514 113.9897 60.2277 62.5813 175.9979 33 Q 3.9959 7.2483 119.9027 58.8077 28.4225 177.2464 34 H 4.8204 7.8822 116.8311 54.4935 29.0485 174.6599 35 K 3.9101 6.4417 123.4326 57.0931 32.2502 176.7800 36 G 3.9126 10.7286 114.9155 45.3366 0.0000 172.3997 37 H 5.1156 7.5391 113.9176 53.3426 33.1936 171.9991 38 P 5.2812 0.0000 0.0000 63.0043 33.0582 174.4150 39 L 4.4139 8.3442 119.1215 54.1457 45.5465 173.1095 40 L 5.3392 8.2897 124.3477 52.9989 45.2867 175.4253 41 I 5.1511 8.6016 123.3020 59.9037 40.1419 174.1297 42 Y 5.7551 9.9258 125.0477 55.3960 41.2410 174.3709 43 N 5.4931 8.8743 119.8673 51.8723 39.7545 174.2598 44 V 4.0211 8.0896 114.0473 58.8976 36.4123 174.6428 45 A 4.7689 8.4880 124.9896 51.5839 18.4963 178.1563 46 S 3.7310 8.7781 116.2017 61.4108 63.9695 175.1021 47 R 4.3006 8.2991 118.8216 55.7070 30.8505 175.7976 48 C 4.5609 7.6859 118.5130 59.1537 31.3124 174.5495 49 G 4.0580 8.5186 104.9762 49.6372 0.0000 176.1908 50 Y 4.0720 6.0273 114.8625 59.8131 34.0533 175.3222 51 T 4.0233 8.2410 114.3574 62.0804 68.9437 175.8494 52 K 4.6957 7.7597 122.5164 54.4290 35.5802 181.8190 53 G 4.0463 7.9343 108.3922 47.1427 0.0000 177.2115 54 G 3.7058 8.5720 109.7874 47.7659 0.0000 174.1340 55 Y 3.7075 7.2159 121.2444 60.3017 38.9140 177.4623 56 E 4.0509 8.4999 119.7639 59.2125 29.5547 179.3899 57 T 3.8387 7.7705 115.2652 66.4814 68.6505 176.0254 58 A 4.0032 8.0044 122.8739 55.7698 18.2961 179.7355 59 T 4.0584 7.7456 113.6753 67.1315 68.5149 176.8772 60 T 3.8672 7.9666 117.4260 66.8651 68.4387 176.5933 61 L 4.2997 8.4860 121.1306 58.1772 41.6183 179.1206 62 Y 4.4949 8.5599 119.5343 60.8932 38.5522 177.7184 63 N 4.3221 8.2447 116.5940 55.9489 38.8274 177.3905 64 K 3.8569 8.3705 119.6591 58.3570 32.4478 177.3370 65 Y 4.6880 7.5099 114.0564 57.1123 39.8873 177.6415 66 K 4.7021 7.5995 119.7108 59.2877 32.6673 179.3295 67 G 3.8497 8.0625 107.7223 47.7423 0.0000 173.5442 68 Q 4.5323 8.0205 116.3562 56.0659 28.7371 176.6586 69 G 3.7343 8.4032 108.3246 45.6145 0.0000 174.6032 70 F 4.9835 8.0684 122.1898 58.1269 40.9303 173.8374 71 T 5.1673 7.5681 117.7840 60.5037 71.4475 172.1769 72 V 4.8166 8.4257 123.9111 59.6975 33.9821 174.6692 73 L 4.8831 9.0644 123.9990 52.8616 44.4989 174.9975 74 A 5.1553 8.7229 125.7390 50.2779 21.8230 175.2496 75 F 4.7521 9.7610 123.6205 54.9839 40.6690 173.8055 76 P 4.5994 0.0000 0.0000 62.9759 32.7270 175.6958 77 C 4.8525 8.7467 123.2464 58.2751 35.1566 173.4550 78 N 4.6719 8.5634 124.8625 53.2783 37.4604 175.4582 79 Q 3.9502 7.6109 118.6320 57.3569 29.5693 174.9797 80 F 5.0352 7.2841 114.9059 57.9288 39.9717 174.0725 81 A 4.5714 8.1033 118.4756 52.7371 19.6342 178.6259 82 G 4.1438 7.8459 104.3216 46.4987 0.0000 176.0540 *94 F 4.7349 7.6198 115.4358 57.1800 40.6913 176.0326 95 A 4.8316 7.3161 131.3336 51.4090 20.0356 179.3331 96 C 4.4597 8.7409 117.5342 61.9520 30.1757 173.8668 97 T 4.2855 8.5102 114.8156 61.1777 66.9900 170.3979 98 R 4.1644 7.6863 127.7790 54.7529 31.8523 175.7599 99 F 4.2295 8.4570 126.9243 58.7266 39.8094 174.4290 100 K 4.3504 7.4777 125.6557 54.6585 35.3794 175.0546 101 A 4.1009 7.5019 123.0725 51.3730 21.5666 176.1425 102 D 4.3276 7.8199 119.2311 56.2773 41.2907 177.3541 103 F 4.0151 5.8773 113.0380 54.3918 39.9778 173.7911 104 P 4.1734 0.0000 0.0000 63.5876 32.0114 175.3805 105 I 4.7343 8.2475 125.5002 60.3940 38.8237 175.5748 106 M 4.3024 8.3274 126.0615 53.2617 34.3696 175.4032 107 A 4.2301 8.1250 121.6889 51.5179 19.1884 177.8490 108 K 4.8273 8.9513 122.4817 56.5884 32.8354 175.6729 109 I 4.8257 8.1282 118.7249 59.6144 41.5227 173.5173 110 D 4.8159 8.4841 121.0817 53.1250 42.4557 178.0042 111 V 3.9564 8.2272 113.3212 61.1909 33.4127 175.3753 112 N 4.9116 7.6854 115.2510 51.9619 42.1508 174.4361 113 G 3.9436 8.4928 106.0698 44.7712 0.0000 174.5094 114 S 4.1032 8.4667 112.6330 60.4052 62.6320 175.3486 115 K 4.4459 7.7647 118.3122 55.8330 32.5819 175.8653 116 A 4.1320 7.9159 122.4641 52.5402 18.9374 177.9643 117 H 4.4348 8.5775 119.4893 55.0658 31.4190 174.9144 118 P 4.2567 0.0000 0.0000 65.2680 31.1948 178.5433 119 L 2.4404 7.8803 119.1335 57.8887 41.9850 178.3708 120 Y 3.2940 7.5401 116.1732 60.5584 37.8322 177.8046 121 E 3.8825 8.3014 119.7422 59.3571 29.6105 178.7794 122 F 4.0977 8.4745 121.2045 61.9472 39.3157 177.2150 123 M 3.1891 7.3630 117.6745 57.9410 31.3019 179.0538 124 K 4.0242 7.7665 117.7962 59.2387 32.2617 179.0515 125 A 4.0739 8.0329 120.7646 55.2826 18.3628 179.5159 126 T 4.0644 7.6993 113.6282 65.1991 68.7251 174.8392 127 I 4.3366 7.3604 122.5158 58.7941 38.8234 173.6058 128 P 4.5498 0.0000 0.0000 61.7150 32.7151 177.6670 129 G 3.8398 8.2806 109.9140 46.1663 0.0000 175.4100 130 L 3.5371 7.9847 125.0975 55.9235 45.3022 176.4458 131 F 4.3933 10.3549 115.4919 56.9981 36.5199 175.8451 132 G 3.4770 8.4416 103.5992 45.5655 0.0000 173.9706 133 T 3.5790 7.8068 114.1524 61.1649 68.0814 172.1438 134 K 4.1679 8.6541 117.1430 56.6304 30.1227 175.7963 135 A 4.0897 7.7167 121.4713 52.0656 18.9384 176.7475 136 I 4.0217 9.0719 122.1817 60.8829 38.0301 176.2527 137 K 3.6188 7.9333 123.3500 56.3374 33.4249 176.4336 138 W 4.8173 6.5672 115.2865 54.1659 32.5033 174.7935 139 N 4.5151 8.5286 117.1983 54.5944 38.8654 175.6034 140 F 4.5430 9.6097 119.3708 58.9189 37.2515 175.1391 141 T 4.7109 7.5092 117.8908 63.7944 69.2714 173.8686 142 S 5.4096 8.7545 118.7508 55.4407 67.2853 172.6223 143 F 5.2429 8.4051 118.1618 55.6413 42.6437 173.6401 144 L 5.1352 8.9500 125.7900 54.0846 43.8659 175.0599 145 I 5.0611 8.9904 127.2457 59.6012 40.3105 175.4978 146 D 5.1587 9.0315 126.9505 52.1219 41.3732 177.3301 147 R 4.0772 8.7807 113.9044 59.3462 29.2602 177.6794 148 H 4.5847 8.4449 113.2784 55.8444 29.3702 175.7405 149 G 3.9175 8.7316 108.6539 45.6723 0.0000 172.7087 150 V 4.4422 8.6617 120.3783 60.2008 32.4125 173.6250 151 P 4.7142 0.0000 0.0000 63.2074 31.3000 176.3114 152 V 4.3823 8.1834 115.7227 60.8548 33.0067 175.4239 153 E 4.4597 7.6046 119.4634 55.0648 32.9632 173.7352 154 R 4.4820 8.1896 126.5189 54.4679 32.4445 174.3596 155 F 5.0239 9.3711 126.3662 55.5532 42.0846 175.9581 156 S 4.8222 8.6529 116.3798 56.9098 64.0111 173.4582 157 P 5.1375 0.0000 0.0000 64.8216 30.9832 177.2633 158 G 3.9095 7.9200 105.5163 44.8611 0.0000 173.4397 159 A 4.0987 7.7627 123.8214 51.8054 18.8682 178.9305 160 S 4.4909 8.3667 117.5635 57.2445 65.7462 175.7216 161 V 3.5314 8.1652 120.2528 66.3170 31.1746 177.5166 162 E 4.2054 8.0258 118.9671 59.1168 29.1449 178.9875 163 D 4.4301 7.7270 117.1925 57.3885 41.1079 178.6150 164 I 3.3871 7.4081 120.3101 63.8711 36.7745 178.2399 165 E 3.7735 8.0362 119.7115 58.8484 28.9829 179.0720 166 K 3.9093 7.6875 118.0831 59.8053 32.2856 178.8221 167 K 4.2212 7.9428 116.0618 58.7653 32.6258 178.7697 168 L 4.0334 8.0069 120.7771 58.0967 41.8126 178.9212 169 L 3.9335 7.7017 117.8204 57.3515 41.6501 176.3547 170 P 4.6165 0.0000 0.0000 62.8463 31.3032 176.4270 171 L 4.5845 8.2598 119.7049 54.9807 43.5657 176.7429 172 L 4.3814 7.6292 119.8851 53.3402 41.0570 176.3999 173 G 4.1550 7.9387 110.1627 45.2988 0.0000 172.4236 174 G 4.0944 8.0672 109.2787 45.8695 0.0000 174.3157 175 A 4.2268 8.0409 121.4915 50.6056 15.3474 176.9555 176 R 4.2417 7.7373 114.2511 57.1726 33.7976 175.5768 177 I 3.6053 8.6586 111.2732 62.0738 38.9458 173.3212 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 14 K 8.54 4.33 0.00 1.85 1.82 0.00 1.90 0.00 0.00 0.82 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.36 7.81 15 S 7.85 4.66 0.00 4.17 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 16 I 9.33 3.90 1.72 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.36 0.92 0.00 0.00 17 Y 7.29 4.59 0.00 3.23 3.03 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 18 E 7.95 4.33 0.00 1.43 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 2.12 2.12 0.00 19 F 7.67 4.68 0.00 3.05 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 20 Q 8.57 4.96 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 21 V 8.41 4.75 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 1.09 0.00 0.00 1.11 0.00 0.00 22 N 9.02 5.20 0.00 2.76 2.77 0.00 0.00 6.97 7.05 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 23 A 8.73 4.36 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 24 A 8.50 3.92 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 25 D 8.09 4.31 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 26 G 8.26 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 27 K 8.23 4.70 0.00 1.95 1.93 0.00 1.44 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.69 1.41 7.81 28 P 0.00 4.90 0.00 2.11 2.12 0.00 3.76 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 29 Y 9.08 4.76 0.00 2.89 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 30 D 7.67 4.43 0.00 2.60 2.16 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 31 L 8.04 3.95 0.00 2.01 1.86 1.28 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.05 3.94 0.00 3.81 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 33 Q 7.25 4.00 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.91 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 34 H 7.88 4.82 0.00 3.68 3.57 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 6.44 3.91 0.00 0.79 1.48 0.00 1.46 0.00 0.00 1.18 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 1.21 7.81 36 G 10.73 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 0.00 0.00 0.00 37 H 7.54 5.12 0.00 3.39 3.39 0.00 5.86 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 5.28 0.00 2.39 2.33 0.00 4.11 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 2.33 2.02 0.00 39 L 8.34 4.41 0.00 1.84 1.57 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.29 5.34 0.00 1.67 1.48 1.06 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.60 5.15 1.95 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 1.35 1.34 1.24 0.00 0.00 42 Y 9.93 5.76 0.00 2.71 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 43 N 8.87 5.49 0.00 2.71 2.88 0.00 0.00 5.89 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 44 V 8.09 4.02 0.94 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 -0.09 0.00 0.00 -0.02 0.00 0.00 45 A 8.49 4.77 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 46 S 8.78 3.73 0.00 3.89 4.07 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 0.00 0.00 0.00 47 R 8.30 4.30 0.00 1.79 1.77 0.00 3.29 0.00 0.00 3.35 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 48 C 7.69 4.56 0.00 2.84 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 49 G 8.52 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 0.00 0.00 0.00 0.00 50 Y 6.03 4.07 0.00 3.17 3.03 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 51 T 8.24 4.02 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 0.89 0.00 0.00 52 K 7.76 4.70 0.00 1.81 1.60 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.22 7.81 53 G 7.93 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 0.00 0.00 0.00 54 G 8.57 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 55 Y 7.22 3.71 0.00 2.78 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 56 E 8.50 4.05 0.00 2.19 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 2.42 2.49 0.00 57 T 7.77 3.84 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 1.26 0.00 0.00 58 A 8.00 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.75 4.06 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 1.22 0.00 0.00 60 T 7.97 3.87 4.42 0.00 0.00 0.00 0.00 0.00 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 61 L 8.49 4.30 0.00 1.93 1.99 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.56 4.49 0.00 3.30 3.38 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 63 N 8.24 4.32 0.00 2.87 2.83 0.00 0.00 7.09 7.73 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 64 K 8.37 3.86 0.00 1.29 0.74 0.00 1.34 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.49 7.81 65 Y 7.51 4.69 0.00 2.85 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 66 K 7.60 4.70 0.00 1.72 1.69 0.00 0.61 0.00 0.00 1.36 0.00 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.18 7.81 67 G 8.06 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 0.00 0.00 0.00 68 Q 8.02 4.53 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 69 G 8.40 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 0.00 0.00 0.00 70 F 8.07 4.98 0.00 3.16 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 71 T 7.57 5.17 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 0.98 0.00 0.00 72 V 8.43 4.82 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 0.87 0.00 0.00 0.02 0.00 0.00 73 L 9.06 4.88 0.00 1.66 1.61 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.72 5.16 1.39 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 0.00 0.00 0.00 75 F 9.76 4.75 0.00 2.98 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 76 P 0.00 4.60 0.00 2.01 1.87 0.00 3.75 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 2.20 1.99 0.00 77 C 8.75 4.85 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.67 0.00 2.71 2.77 0.00 0.00 6.19 7.39 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 79 Q 7.61 3.95 0.00 1.54 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.78 7.56 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 80 F 7.28 5.04 0.00 3.09 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 81 A 8.10 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.85 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 *94 F 7.62 4.73 0.00 3.08 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 95 A 7.32 4.83 0.97 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 96 C 8.74 4.46 0.00 2.93 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 97 T 8.51 4.29 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 1.17 0.00 0.00 98 R 7.69 4.16 0.00 2.00 1.96 0.00 3.54 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 99 F 8.46 4.23 0.00 3.05 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 0.00 100 K 7.48 4.35 0.00 1.52 1.46 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.29 7.81 101 A 7.50 4.10 -0.06 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 0.00 0.00 102 D 7.82 4.33 0.00 2.65 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 0.00 103 F 5.88 4.02 0.00 2.76 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 0.00 104 P 0.00 4.17 0.00 2.00 1.92 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 105 I 8.25 4.73 1.88 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 1.33 0.92 1.00 0.00 0.00 106 M 8.33 4.30 0.00 1.47 1.24 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.90 0.00 107 A 8.13 4.23 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 0.00 108 K 8.95 4.83 0.00 1.76 1.73 0.00 1.48 0.00 0.00 2.36 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.44 7.81 109 I 8.13 4.83 1.90 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 1.16 0.00 0.00 110 D 8.48 4.82 0.00 2.72 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 0.00 111 V 8.23 3.96 1.57 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 -0.27 0.00 0.00 0.87 0.00 0.00 112 N 7.69 4.91 0.00 2.58 2.64 0.00 0.00 7.04 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 0.00 113 G 8.49 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 0.00 114 S 8.47 4.10 0.00 3.97 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 0.00 115 K 7.76 4.45 0.00 1.86 1.79 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.36 7.81 116 A 7.92 4.13 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 0.00 117 H 8.58 4.43 0.00 3.22 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.26 0.00 2.52 2.30 0.00 3.41 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 119 L 7.88 2.44 0.00 1.49 1.30 0.58 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.54 3.29 0.00 3.06 3.03 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 0.00 121 E 8.30 3.88 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 122 F 8.47 4.10 0.00 2.85 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 0.00 123 M 7.36 3.19 0.00 0.51 0.66 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.98 0.00 124 K 7.77 4.02 0.00 1.68 2.01 0.00 1.95 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.59 7.81 125 A 8.03 4.07 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 0.00 126 T 7.70 4.06 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 1.00 0.00 0.00 127 I 7.36 4.34 1.95 0.00 0.00 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 1.24 0.50 0.85 0.00 0.00 128 P 0.00 4.55 0.00 2.21 1.97 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 129 G 8.28 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 0.00 130 L 7.98 3.54 0.00 1.80 1.27 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 131 F 10.35 4.39 0.00 3.26 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.81 3.58 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 1.16 0.00 0.00 134 K 8.65 4.17 0.00 2.12 2.27 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.20 1.27 7.81 135 A 7.72 4.09 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 0.00 136 I 9.07 4.02 2.05 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 1.42 0.95 0.87 0.00 0.00 137 K 7.93 3.62 0.00 0.79 0.74 0.00 1.18 0.00 0.00 1.39 0.00 0.00 2.70 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.50 0.73 7.81 138 W 6.57 4.82 0.00 3.10 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 0.00 139 N 8.53 4.52 0.00 2.97 2.87 0.00 0.00 6.87 8.13 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 0.00 140 F 9.61 4.54 0.00 3.32 3.30 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 0.00 141 T 7.51 4.71 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 1.05 0.00 0.00 142 S 8.75 5.41 0.00 3.13 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 0.00 143 F 8.41 5.24 0.00 2.82 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 0.00 144 L 8.95 5.14 0.00 2.09 1.67 1.16 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.99 5.06 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 0.95 0.00 0.00 146 D 9.03 5.16 0.00 2.86 2.90 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 0.00 147 R 8.78 4.08 0.00 1.89 2.25 0.00 2.94 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.32 0.00 148 H 8.44 4.58 0.00 3.37 3.46 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.73 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 0.00 0.00 0.00 150 V 8.66 4.44 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 1.12 0.00 0.00 1.08 0.00 0.00 151 P 0.00 4.71 0.00 1.84 1.75 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.75 0.00 152 V 8.18 4.38 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 0.72 0.00 0.00 1.03 0.00 0.00 153 E 7.60 4.46 0.00 1.95 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 2.01 1.47 0.00 154 R 8.19 4.48 0.00 1.65 1.52 0.00 3.46 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.59 0.00 155 F 9.37 5.02 0.00 2.83 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 0.00 156 S 8.65 4.82 0.00 4.06 4.08 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 0.00 157 P 0.00 5.14 0.00 2.28 2.70 0.00 3.49 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.21 0.00 158 G 7.92 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 0.00 0.00 0.00 159 A 7.76 4.10 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 0.00 160 S 8.37 4.49 0.00 4.05 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 0.00 161 V 8.17 3.53 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 1.14 0.00 0.00 0.95 0.00 0.00 162 E 8.03 4.21 0.00 2.09 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 2.40 2.33 0.00 163 D 7.73 4.43 0.00 2.74 2.80 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 0.00 164 I 7.41 3.39 1.71 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.28 0.62 0.00 0.00 165 E 8.04 3.77 0.00 2.12 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 2.07 2.37 0.00 166 K 7.69 3.91 0.00 1.97 1.93 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.52 7.81 167 K 7.94 4.22 0.00 1.90 1.93 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.62 1.57 7.81 168 L 8.01 4.03 0.00 1.71 1.43 -0.17 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.70 3.93 0.00 1.65 1.66 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 170 P 0.00 4.62 0.00 2.04 2.07 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 171 L 8.26 4.58 0.00 1.79 1.72 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 172 L 7.63 4.38 0.00 1.60 1.68 0.62 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 173 G 7.94 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 0.00 174 G 8.07 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 0.00 175 A 8.04 4.23 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 0.00 176 R 7.74 4.24 0.00 1.93 1.97 0.00 3.21 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 177 I 8.66 3.61 1.88 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 1.28 0.38 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.