NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5181 8.3349 116.8100 58.5058 62.8968 172.3504 3 K 4.7654 8.0283 123.3518 54.5030 37.1152 173.3448 4 I 4.7488 8.9716 124.9166 59.9177 39.2916 175.0567 5 I 4.2935 8.9385 129.1732 60.3683 38.2033 176.7076 6 L 4.4530 8.7376 125.7075 54.7409 43.3292 175.6664 7 I 4.5870 7.3332 118.9259 58.2873 38.2537 173.7395 8 P 4.2160 0.0000 0.0000 65.5942 31.2986 178.9476 9 S 4.3407 7.9746 109.4846 59.9878 63.3087 174.8024 10 N 4.8321 8.0712 120.0113 53.0692 38.5155 176.5972 11 I 3.6565 7.4793 122.9979 64.0792 37.0438 176.2882 12 P 4.6130 0.0000 0.0000 65.5981 30.8824 178.0921 13 Q 4.1235 7.9977 117.0985 58.4504 28.4547 178.0406 14 E 3.8569 7.9292 119.1445 57.5234 31.1286 177.1162 15 F 5.0367 8.0604 116.9878 54.9020 39.3594 173.6853 16 P 4.4694 0.0000 0.0000 64.9343 31.7475 177.9382 17 E 4.4112 8.1486 116.3227 55.9256 30.0163 176.0217 18 A 4.2835 7.7142 122.3165 52.5855 19.1402 176.7496 19 S 5.1859 7.7592 112.6777 58.4326 65.9630 177.1855 20 I 3.7194 8.3063 121.2996 64.3349 36.8941 178.1082 21 S 4.3450 7.5847 115.1084 60.8091 63.2523 174.6335 22 N 4.9942 7.8476 117.6262 50.9261 39.4868 171.6705 23 P 4.7996 0.0000 0.0000 62.5604 33.4696 176.2560 24 E 4.5743 8.7515 121.1849 54.0835 31.8876 175.3155 25 R 3.8508 8.5289 126.3825 56.2836 30.9650 175.8532 26 L 4.8058 8.6769 122.3084 53.2039 47.2982 175.3984 27 R 4.8589 8.2886 119.6396 55.1466 33.3816 173.5365 28 I 4.9333 9.1595 128.0033 59.4680 40.0836 174.6134 29 L 5.1785 8.5863 126.5039 53.1890 43.5594 175.5749 30 A 4.6544 8.8847 124.7989 50.9036 23.8276 173.7723 31 Q 4.6953 9.0397 120.1168 54.2638 31.7394 174.7315 32 V 4.1512 8.5145 126.8992 62.8992 31.9364 176.4301 33 K 4.1892 8.9104 128.0528 58.2895 33.3047 176.0191 34 D 4.6210 7.4790 116.9262 53.4948 44.8647 173.9597 35 F 5.2966 8.6444 123.1471 56.6682 42.5585 174.0062 36 I 4.0115 8.7189 128.5666 58.8260 37.6195 174.6564 37 P 3.6057 0.0000 0.0000 65.6101 31.2331 178.5665 38 H 4.3795 8.0275 112.2520 56.9238 28.5394 175.3133 39 E 4.4067 7.4553 117.4392 55.0482 31.0517 175.5723 40 S 3.8795 7.5731 114.5140 60.3309 61.2871 171.9792 41 T 5.2464 7.8063 115.5252 61.7171 72.0713 174.3796 42 I 4.9675 8.7937 120.0626 59.3711 40.4517 174.5891 43 V 4.8044 9.0151 126.4079 61.4716 33.0772 174.6586 44 I 4.9420 8.4742 120.8032 59.4955 41.4835 173.4027 45 D 4.9544 8.5563 121.3809 52.5650 45.2421 174.1360 46 K 4.4735 8.5310 119.8912 56.0222 33.2191 177.1188 47 V 3.5100 8.4174 122.2320 62.7475 33.0935 172.8157 48 P 3.4647 0.0000 0.0000 65.4012 30.9732 177.3413 49 T 3.9035 9.0682 117.9805 64.2467 69.7990 176.0401 50 I 3.8553 7.9740 123.5887 64.3966 37.1685 175.7232 51 T 4.6822 7.4390 110.8568 60.8893 70.3396 172.9759 52 S 4.5903 8.3498 116.7850 57.8525 64.0069 174.2616 53 E 3.9781 7.9531 122.9113 56.0553 29.8757 176.2694 54 Q 4.1243 8.3785 125.9757 56.8084 29.7283 175.3169 55 S 4.6899 8.0130 115.6203 57.5679 65.3882 173.4833 56 T 4.6692 8.2990 120.6631 61.4850 71.9573 173.8764 57 Y 4.8663 8.4595 122.7987 58.4967 38.7854 175.5695 58 I 4.7653 8.6839 115.3403 59.2306 41.5615 173.8399 59 N 5.4058 8.8355 120.9248 51.8675 40.4985 173.9615 60 I 4.4404 8.5040 125.4583 59.5456 39.7024 174.5378 61 C 4.8505 8.8616 128.5227 58.2969 32.1330 173.1026 62 I 4.5510 8.5900 121.5773 60.3338 37.8256 177.5356 63 F 4.2919 8.7215 125.6320 62.6196 39.0663 175.3493 64 N 4.5893 8.1822 114.6151 53.1170 38.4168 175.2519 65 L 4.6669 8.0307 119.3294 54.5377 44.1388 178.5748 66 L 3.9290 8.2414 118.3214 58.0138 41.7248 178.0391 67 E 3.9944 8.3157 116.7024 59.2883 29.5624 177.9586 68 A 4.1590 7.8627 119.4292 54.7630 18.8762 177.8367 69 C 4.2760 8.4283 113.2484 59.9391 28.8249 173.4140 70 S 4.5224 8.3197 116.8420 57.4682 63.2388 175.3224 71 S 4.0560 8.6270 122.3864 61.7321 62.6347 176.8680 72 R 3.8564 8.0469 121.1689 59.2528 29.5229 178.0205 73 V 3.8835 7.3888 116.5034 62.8337 31.6129 176.4063 74 L 4.1074 7.4921 118.5964 54.3451 42.6115 176.3625 75 V 3.8733 7.4862 120.9457 60.8325 31.8035 173.4950 76 P 4.5729 0.0000 0.0000 64.0018 31.4532 175.8312 77 G 4.0541 8.8435 111.0502 45.9325 0.0000 174.4523 78 T 4.0734 7.9489 117.6254 63.5257 69.6726 173.7594 79 L 4.7618 8.4474 125.6317 54.0227 43.6986 176.0892 80 V 4.9644 8.9932 115.6430 59.7091 36.9491 173.5777 81 N 5.2881 8.6101 120.6295 51.8713 41.3131 173.2015 82 I 4.6745 8.8752 126.8937 59.6360 40.6190 174.0861 83 D 5.1344 8.7141 127.6757 53.1122 42.4971 175.8366 84 A 4.9627 8.5929 123.8192 51.1897 23.8781 174.3504 85 F 5.0887 9.3678 118.0925 55.9770 41.7895 174.4015 86 Y 5.2532 8.8404 125.6439 55.9729 40.2751 175.2830 87 D 4.5384 8.5864 125.6356 53.0855 39.7364 178.0618 88 G 3.4271 7.1066 107.8802 45.4117 0.0000 173.6228 89 E 4.6525 7.7800 116.3919 56.8400 34.1842 174.5595 90 S 4.9466 8.7856 111.8215 56.3169 66.0251 172.1445 91 I 4.9047 8.3071 120.9167 59.7715 39.2711 175.3761 92 N 5.0065 9.4326 125.9573 50.7866 39.7377 172.1448 93 P 4.9379 0.0000 0.0000 62.8734 31.9106 176.6650 94 V 4.4366 8.6513 115.1586 61.5383 33.8058 175.0892 95 D 4.5779 7.8406 117.4223 53.8921 44.4067 174.1007 96 I 5.3279 8.5986 121.7077 61.1602 40.9828 172.8878 97 Y 4.9362 7.5710 125.0447 55.5960 41.1295 173.4006 98 E 4.6255 8.9583 122.0571 56.6201 30.5467 176.2226 99 V 4.7407 8.4523 118.3406 59.2566 35.4395 175.2720 100 N 4.5507 8.8533 122.3249 53.3494 39.8633 176.4092 101 G 3.8112 8.8159 113.3609 48.2997 0.0000 175.0905 102 A 4.2629 8.4816 122.0489 54.1340 18.4038 178.1795 103 N 4.3759 7.9145 112.4794 55.1026 39.1932 176.2139 104 F 4.4497 7.8490 119.4933 56.1615 37.6373 175.4711 105 T 4.5705 7.1686 114.3010 60.1375 72.6240 175.3582 106 M 4.0097 8.4510 120.7571 58.8900 32.2217 178.0830 107 E 3.9533 8.1427 118.0686 59.7620 29.6808 179.0948 108 N 4.3709 7.9498 116.1416 56.1908 38.6411 177.6548 109 I 3.7183 7.7835 121.4191 64.5484 37.2803 178.5379 110 Q 4.0510 8.2112 118.9123 58.6123 28.4752 178.3996 111 L 3.9631 7.9139 121.6199 58.2119 41.8839 179.1366 112 I 3.7201 7.7596 119.0158 64.1395 37.2933 177.5574 113 D 4.4686 7.8880 118.4751 57.3969 41.0043 178.0737 114 E 4.1836 7.9090 120.0326 59.1943 29.4058 179.1211 115 M 4.2813 7.8332 115.4642 56.9077 31.9342 177.1693 116 N 4.9376 7.5675 116.2776 52.7378 39.1502 173.8042 117 N 4.9345 7.7903 118.6447 53.5543 43.8932 174.4243 118 S 4.7749 8.0737 115.7934 55.9519 61.6272 172.6108 119 I 4.2512 7.6542 124.3535 62.1558 40.6598 174.0478 120 G 3.6993 8.8537 114.3473 45.2701 0.0000 174.3757 121 K 4.1601 8.1639 135.0000 56.4500 31.0620 178.2478 *122 F 4.4215 7.7678 120.9465 56.9780 38.6208 176.8571 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 S 8.33 4.52 0.00 3.91 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 3 K 8.03 4.77 0.00 2.03 1.73 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.68 7.81 4 I 8.97 4.75 1.88 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 1.23 0.57 0.92 0.00 0.00 5 I 8.94 4.29 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 0.96 0.00 0.00 6 L 8.74 4.45 0.00 1.71 1.73 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.33 4.59 1.86 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 1.42 0.74 0.97 0.00 0.00 8 P 0.00 4.22 0.00 2.18 2.11 0.00 3.60 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 2.10 2.09 0.00 9 S 7.97 4.34 0.00 3.98 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 10 N 8.07 4.83 0.00 3.00 2.82 0.00 0.00 7.24 6.93 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 11 I 7.48 3.66 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.01 0.13 0.00 0.00 12 P 0.00 4.61 0.00 2.31 2.33 0.00 3.34 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 1.99 1.93 0.00 13 Q 8.00 4.12 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 14 E 7.93 3.86 0.00 1.50 1.12 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 2.43 2.29 0.00 15 F 8.06 5.04 0.00 3.46 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 16 P 0.00 4.47 0.00 2.22 2.23 0.00 3.88 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 2.04 2.01 0.00 17 E 8.15 4.41 0.00 2.03 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 0.00 2.28 2.38 0.00 18 A 7.71 4.28 1.14 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 19 S 7.76 5.19 0.00 3.85 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 20 I 8.31 3.72 1.83 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 1.36 0.48 0.87 0.00 0.00 21 S 7.58 4.35 0.00 3.86 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 22 N 7.85 4.99 0.00 2.71 2.69 0.00 0.00 6.60 8.04 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 23 P 0.00 4.80 0.00 2.24 2.04 0.00 3.68 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 1.84 0.00 24 E 8.75 4.57 0.00 1.86 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 1.47 1.70 0.00 25 R 8.53 3.85 0.00 1.57 1.61 0.00 2.21 0.00 0.00 2.73 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.45 0.00 26 L 8.68 4.81 0.00 1.51 1.44 0.87 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.29 4.86 0.00 1.61 1.70 0.00 3.04 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 28 I 9.16 4.93 1.83 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 1.21 0.70 0.89 0.00 0.00 29 L 8.59 5.18 0.00 1.65 1.88 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.88 4.65 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 31 Q 9.04 4.70 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.96 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 32 V 8.51 4.15 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 0.92 0.00 0.00 0.97 0.00 0.00 33 K 8.91 4.19 0.00 1.30 1.51 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.96 0.21 7.81 34 D 7.48 4.62 0.00 2.67 2.46 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 35 F 8.64 5.30 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 36 I 8.72 4.01 1.63 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.57 0.00 0.00 37 P 0.00 3.61 0.00 2.16 2.20 0.00 3.44 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 38 H 8.03 4.38 0.00 3.24 3.40 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.46 4.41 0.00 1.72 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 2.09 2.08 0.00 40 S 7.57 3.88 0.00 4.18 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 41 T 7.81 5.25 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 1.23 0.00 0.00 42 I 8.79 4.97 1.92 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 1.31 0.95 1.04 0.00 0.00 43 V 9.02 4.80 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 0.85 0.00 0.00 1.04 0.00 0.00 44 I 8.47 4.94 1.81 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 1.22 0.62 0.87 0.00 0.00 45 D 8.56 4.95 0.00 2.52 2.38 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 46 K 8.53 4.47 0.00 1.83 1.85 0.00 1.24 0.00 0.00 2.30 0.00 0.00 2.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.28 7.81 47 V 8.42 3.51 1.73 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 0.14 0.00 0.00 0.28 0.00 0.00 48 P 0.00 3.46 0.00 2.16 1.77 0.00 3.52 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 49 T 9.07 3.90 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 1.20 0.00 0.00 50 I 7.97 3.86 2.05 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.96 0.00 0.00 51 T 7.44 4.68 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 52 S 8.35 4.59 0.00 4.00 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 53 E 7.95 3.98 0.00 1.95 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 2.32 2.25 0.00 54 Q 8.38 4.12 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 55 S 8.01 4.69 0.00 3.84 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 56 T 8.30 4.67 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 1.18 0.00 0.00 57 Y 8.46 4.87 0.00 2.79 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 58 I 8.68 4.77 1.90 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 1.25 0.95 0.94 0.00 0.00 59 N 8.84 5.41 0.00 2.63 2.80 0.00 0.00 6.84 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 60 I 8.50 4.44 1.91 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 1.14 0.70 0.96 0.00 0.00 61 C 8.86 4.85 0.00 3.02 2.91 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 62 I 8.59 4.55 1.92 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 1.25 1.05 0.96 0.00 0.00 63 F 8.72 4.29 0.00 2.93 3.23 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 64 N 8.18 4.59 0.00 2.77 2.78 0.00 0.00 6.68 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 65 L 8.03 4.67 0.00 1.84 1.65 0.94 0.64 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 66 L 8.24 3.93 0.00 1.57 1.78 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.32 3.99 0.00 1.86 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 2.27 2.30 0.00 68 A 7.86 4.16 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 69 C 8.43 4.28 0.00 3.11 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 70 S 8.32 4.52 0.00 3.85 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 71 S 8.63 4.06 0.00 3.87 3.86 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 72 R 8.05 3.86 0.00 1.90 1.93 0.00 3.20 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 73 V 7.39 3.88 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 0.79 0.00 0.00 0.89 0.00 0.00 74 L 7.49 4.11 0.00 1.24 0.44 0.53 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.49 3.87 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 0.97 0.00 0.00 0.94 0.00 0.00 76 P 0.00 4.57 0.00 2.21 2.14 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 77 G 8.84 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 78 T 7.95 4.07 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 1.23 0.00 0.00 79 L 8.45 4.76 0.00 1.82 1.48 0.74 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.99 4.96 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 0.75 0.00 0.00 0.91 0.00 0.00 81 N 8.61 5.29 0.00 2.47 1.53 0.00 0.00 7.36 7.79 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 82 I 8.88 4.67 1.81 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 1.15 0.75 0.88 0.00 0.00 83 D 8.71 5.13 0.00 2.59 2.52 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 84 A 8.59 4.96 1.25 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 85 F 9.37 5.09 0.00 2.99 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 86 Y 8.84 5.25 0.00 2.98 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 87 D 8.59 4.54 0.00 2.81 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 88 G 7.11 3.43 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 0.00 0.00 0.00 89 E 7.78 4.65 0.00 1.86 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 2.22 2.32 0.00 90 S 8.79 4.95 0.00 4.04 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 91 I 8.31 4.90 1.95 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 1.45 0.79 0.97 0.00 0.00 92 N 9.43 5.01 0.00 2.82 2.85 0.00 0.00 6.36 7.97 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 93 P 0.00 4.94 0.00 2.10 2.08 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 94 V 8.65 4.44 2.18 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 0.94 0.00 0.00 1.02 0.00 0.00 95 D 7.84 4.58 0.00 2.80 2.49 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 96 I 8.60 5.33 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.41 0.91 0.00 0.00 97 Y 7.57 4.94 0.00 3.06 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 98 E 8.96 4.63 0.00 2.04 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 0.00 2.35 2.54 0.00 99 V 8.45 4.74 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 0.86 0.00 0.00 1.16 0.00 0.00 100 N 8.85 4.55 0.00 2.77 2.72 0.00 0.00 6.98 8.03 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 0.00 101 G 8.82 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 0.00 0.00 0.00 102 A 8.48 4.26 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 0.00 103 N 7.91 4.38 0.00 2.41 2.43 0.00 0.00 6.93 8.75 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 0.00 104 F 7.85 4.45 0.00 3.07 3.07 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 0.00 105 T 7.17 4.57 4.47 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 1.25 0.00 0.00 106 M 8.45 4.01 0.00 2.16 2.12 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 2.68 2.71 0.00 107 E 8.14 3.95 0.00 2.08 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 2.47 0.00 108 N 7.95 4.37 0.00 2.68 2.75 0.00 0.00 7.10 8.46 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 0.00 109 I 7.78 3.72 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.33 0.94 0.00 0.00 110 Q 8.21 4.05 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 111 L 7.91 3.96 0.00 1.92 1.81 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.76 3.72 2.04 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 1.39 0.79 0.92 0.00 0.00 113 D 7.89 4.47 0.00 2.74 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 0.00 114 E 7.91 4.18 0.00 2.22 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 2.33 2.46 0.00 115 M 7.83 4.28 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.58 0.00 116 N 7.57 4.94 0.00 2.88 2.81 0.00 0.00 6.74 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 0.00 117 N 7.79 4.93 0.00 2.82 2.98 0.00 0.00 5.84 8.30 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 0.00 118 S 8.07 4.77 0.00 3.98 3.93 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 0.00 119 I 7.65 4.25 1.88 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 1.35 0.72 0.92 0.00 0.00 120 G 8.85 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 0.00 121 K 8.16 4.16 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 *122 F 7.77 4.42 0.00 2.04 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.