NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2652 8.3149 121.7930 56.2276 32.2185 174.4640 7 L 4.4069 8.2159 125.7738 52.7234 43.2480 174.5959 8 H 4.9058 9.5069 122.9444 54.2263 32.8917 172.4967 9 K 4.5947 8.1836 125.5170 55.3236 33.3611 175.7109 10 E 5.0039 9.1541 124.7934 53.6092 32.7308 173.9667 11 P 4.9271 0.0000 0.0000 63.2704 32.2991 175.0421 12 A 4.9582 8.5429 122.2196 51.3462 23.0062 175.4981 13 T 4.6387 8.6635 115.1069 61.3639 72.1357 173.8989 14 L 4.2890 8.6971 128.1390 55.7160 42.4761 175.5219 15 I 4.4389 8.5695 125.2243 62.4136 39.6127 176.0905 16 K 4.5878 7.6635 120.9742 55.1788 35.5594 174.3992 17 A 4.5650 8.6794 130.3731 51.9632 19.5296 175.9401 18 I 4.2858 8.1512 121.8844 61.9817 39.5349 175.4156 19 D 4.5245 8.5815 117.4447 52.5686 42.1484 175.5961 20 G 4.0346 8.8636 108.0642 48.7085 0.0000 174.7331 21 N 5.1407 8.1113 117.0637 51.9549 38.7903 173.6324 22 T 5.1738 8.1693 115.2745 63.1650 73.1105 173.5209 23 V 4.8031 8.8640 118.4024 59.6354 36.9330 173.8317 24 K 5.0427 9.2221 124.7540 55.0035 34.2881 175.2020 25 L 5.3844 9.1941 126.1723 53.2764 46.9230 174.9682 26 M 5.0124 9.5481 120.9377 54.4223 33.3774 173.8076 27 Y 4.9486 9.4395 128.7381 56.1568 41.6516 174.9171 28 K 3.7566 9.0342 126.0845 58.6065 28.9863 174.5720 29 G 4.1589 7.9668 102.6534 45.6410 0.0000 170.9008 30 Q 4.7143 7.5025 114.3112 53.8086 33.7387 172.3959 31 P 5.1175 0.0000 0.0000 62.9321 32.5329 175.4410 32 M 4.7904 9.3624 122.2693 54.3815 36.3990 173.6890 33 V 4.3860 8.4467 125.6290 62.7130 33.3575 174.4373 34 F 5.0803 9.6766 126.1373 55.5832 42.4744 174.0413 35 R 4.9179 9.0709 123.5648 54.1867 32.0568 174.9774 36 L 4.3440 8.5944 127.5884 54.8198 41.8362 177.4379 37 L 3.8454 8.6742 125.0587 55.4547 43.1167 177.4050 38 L 3.8718 8.6411 119.4515 55.7193 39.5029 174.1421 39 V 4.8576 7.2947 110.5927 59.8433 34.6285 175.0041 40 D 4.9248 9.3539 125.6727 52.5920 43.7830 175.8323 41 I 4.1016 8.0807 122.7601 59.0944 38.0298 173.6574 42 P 3.6588 0.0000 0.0000 67.1480 31.7280 176.7563 *54 Y 5.1593 7.1461 112.0139 57.7413 40.1848 177.4486 55 G 3.7164 8.1545 108.5057 47.6725 0.0000 174.2238 56 P 4.2663 0.0000 0.0000 65.0005 31.4552 178.6264 57 E 3.9882 8.1833 116.6380 59.3366 29.4553 178.9103 58 A 3.9933 8.4673 120.9429 55.1750 18.3752 179.3278 59 A 3.9286 8.2902 119.1730 55.3662 18.3861 179.6805 60 A 3.9310 8.4378 119.4847 55.2590 18.4993 179.3192 61 F 3.9965 8.8324 119.4029 62.0181 39.4706 177.4389 62 T 3.8421 8.4576 115.3603 66.4395 68.2682 176.4069 63 K 3.8385 8.3386 121.8448 59.4734 32.2121 178.6837 64 K 3.8531 8.2983 120.0647 59.7008 31.8964 178.5860 65 M 3.8526 7.5386 117.6931 58.5163 32.1330 178.9335 66 V 3.7648 7.7211 112.3397 64.3618 31.6091 178.6213 67 E 3.9806 7.9588 117.1970 59.1685 29.3864 177.6438 68 N 4.5642 7.8813 113.3497 53.3881 39.0694 175.3471 69 A 4.5477 7.6695 121.1595 51.3117 18.9732 177.6566 70 K 4.4695 8.9451 118.9250 56.5064 33.9318 176.7287 71 K 4.5368 7.7043 119.5283 56.1112 35.8234 174.5302 72 I 5.0583 8.5165 125.2866 59.4098 40.4326 174.3123 73 E 5.1661 9.4866 125.3318 54.5621 33.8718 174.6370 74 V 4.2125 8.9006 123.7607 61.1258 33.8343 174.1570 75 Q 5.1432 8.8877 129.1218 53.1562 31.1903 174.4981 76 F 4.6340 8.9395 125.2369 57.7071 40.0205 175.7779 77 D 5.0859 8.6358 121.3208 53.4269 43.2271 175.6877 78 K 4.3689 9.3824 117.3711 57.7862 33.7561 177.3032 79 G 4.4821 7.9610 110.4506 43.9973 0.0000 173.1227 80 Q 4.0951 8.5856 120.1668 56.4924 29.2861 176.7140 81 R 4.5234 8.5887 120.4375 57.2060 30.9280 176.2109 82 T 5.0892 7.5323 107.1357 59.7136 71.8240 173.3997 83 D 4.8185 8.5798 124.1137 51.6144 41.3495 177.0972 84 K 3.7195 8.4777 117.5676 60.2508 32.1271 177.1142 85 Y 4.3938 7.8362 114.4323 57.6805 37.7442 175.9050 86 G 3.9088 8.3589 107.9001 45.9027 0.0000 173.8775 87 R 4.3618 8.3872 119.5814 54.7109 31.8070 176.3998 88 G 3.4901 8.2958 111.4244 46.3523 0.0000 172.3491 89 L 5.1842 9.2857 125.9139 53.6139 42.7147 175.5596 90 A 4.3911 8.3478 124.9161 51.1878 23.6706 173.8138 91 Y 4.7613 8.7729 117.1693 57.0472 39.8012 175.3156 92 I 4.7363 8.7813 125.4029 59.7652 39.8847 174.0969 93 Y 5.0924 9.2975 124.6648 56.0744 40.7474 174.4437 94 A 4.9591 9.3321 126.4535 50.4123 21.5302 176.1595 95 D 4.3940 10.3631 124.1825 55.5675 39.2133 175.9878 96 G 4.0278 8.6463 106.2013 45.1713 0.0000 174.0293 97 K 4.5360 8.2239 120.5087 54.7749 33.8830 175.3461 98 M 3.9751 8.4809 123.1888 54.9636 33.0446 177.1275 99 V 3.6308 8.6364 127.4533 65.9425 31.6545 177.5030 100 N 4.2767 8.0674 115.8883 56.5700 38.4011 176.7824 101 E 3.9165 8.1030 119.6404 59.0289 29.7425 178.2946 102 A 4.0319 7.9870 120.8583 55.2061 18.4784 179.3945 103 L 3.4128 8.0971 117.3825 57.9407 41.7390 179.9650 104 V 3.8240 7.4185 118.8919 65.5857 31.2590 178.0428 105 R 4.0431 8.4252 117.5471 59.2114 30.0041 177.4072 106 Q 4.1580 8.0423 116.9183 55.6834 29.2443 175.9600 107 G 3.9138 7.9003 106.9958 47.4435 0.0000 174.7373 108 L 4.2233 7.4853 116.7411 53.4876 41.3814 176.0294 109 A 4.3456 6.8965 118.6503 51.4969 22.2890 176.0188 110 K 4.6800 8.0582 118.9116 54.4731 35.4634 175.9758 111 V 4.3022 8.9944 122.9122 62.9006 31.8500 175.9606 112 A 4.6153 8.1623 129.8494 50.2411 19.9384 176.6264 113 Y 4.3370 8.0667 116.7813 57.5936 38.6190 176.7913 114 V 3.7806 8.5078 122.8328 63.4490 32.3520 174.6863 115 Y 4.6105 8.4079 125.6634 56.7113 41.1853 175.6266 116 K 3.6569 9.3319 128.2526 57.4330 29.7858 176.3584 117 G 4.0311 8.3032 104.3855 45.6938 0.0000 174.6476 118 N 4.8722 7.9977 118.5353 51.9421 37.1492 174.2211 119 N 5.1506 8.1392 114.6666 52.0968 39.1808 176.9477 120 T 3.8339 8.4277 117.1723 67.3477 68.6508 174.5967 121 H 4.7933 8.1954 115.3416 55.5963 29.2916 176.1904 122 E 4.0053 8.3258 122.2962 59.8527 29.3679 178.8923 123 Q 4.0036 8.1471 117.0896 59.2923 28.7040 178.2519 124 H 4.1379 8.3089 118.5307 59.5715 29.8258 177.1515 125 L 4.0249 8.2973 120.7048 57.6498 41.3148 179.6485 126 R 3.9336 8.2061 118.4408 59.1532 29.8867 179.2541 127 K 3.9097 8.0695 117.9722 59.2358 32.0729 179.1703 128 A 3.9125 7.6695 121.1338 55.2613 18.2517 179.3393 129 E 3.9222 8.5352 117.8740 59.1923 29.6040 178.8958 130 A 3.6995 8.0490 121.0864 55.1155 18.4954 179.3614 131 Q 3.7867 8.2143 118.0558 59.1778 29.1019 178.2716 132 A 3.9690 7.9463 121.7646 55.1804 18.4416 179.6021 133 K 3.2752 7.6884 118.1144 59.0686 31.8126 179.0130 134 K 3.9174 7.8937 119.6719 58.7984 32.1653 177.6766 135 E 4.3072 7.9271 116.2450 54.9514 30.3419 175.9856 136 K 4.1429 7.7825 117.7955 55.9495 30.7768 174.8431 137 L 4.2393 8.0990 117.9351 55.8487 44.2499 178.2460 138 N 3.6056 9.5215 118.3957 52.7408 38.3086 176.8637 139 I 2.9037 5.4200 123.4430 63.6711 37.4414 177.1331 140 W 4.8633 8.1949 120.5682 56.4125 29.4358 176.4479 141 S 4.7469 8.8044 120.0033 57.8967 62.6406 173.9590 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 4.27 0.00 1.73 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.57 7.81 7 L 8.22 4.41 0.00 1.80 1.69 1.04 0.90 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 8 H 9.51 4.91 0.00 3.18 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.18 4.59 0.00 1.48 1.56 0.00 1.41 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.02 1.21 7.81 10 E 9.15 5.00 0.00 2.16 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 2.55 2.53 0.00 11 P 0.00 4.93 0.00 2.10 2.07 0.00 3.86 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 2.04 2.01 0.00 12 A 8.54 4.96 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 13 T 8.66 4.64 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 L 8.70 4.29 0.00 1.62 1.56 0.98 0.98 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 15 I 8.57 4.44 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.99 0.94 0.00 0.00 16 K 7.66 4.59 0.00 1.80 1.61 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.45 7.81 17 A 8.68 4.57 1.24 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 0.00 0.00 0.00 18 I 8.15 4.29 1.99 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 1.48 0.85 0.90 0.00 0.00 19 D 8.58 4.52 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.86 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 0.00 0.00 0.00 21 N 8.11 5.14 0.00 2.71 2.96 0.00 0.00 6.84 6.90 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 22 T 8.17 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 1.27 0.00 0.00 23 V 8.86 4.80 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.93 0.00 0.00 24 K 9.22 5.04 0.00 1.81 1.83 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.47 7.81 25 L 9.19 5.38 0.00 1.68 1.63 0.34 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.55 5.01 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 27 Y 9.44 4.95 0.00 3.19 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 28 K 9.03 3.76 0.00 1.37 1.55 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.01 0.21 7.81 29 G 7.97 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 30 Q 7.50 4.71 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.78 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 31 P 0.00 5.12 0.00 1.99 2.03 0.00 3.75 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 2.06 2.12 0.00 32 M 9.36 4.79 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 33 V 8.45 4.39 2.06 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 0.92 0.00 0.00 0.95 0.00 0.00 34 F 9.68 5.08 0.00 2.91 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 35 R 9.07 4.92 0.00 1.83 1.73 0.00 3.10 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 36 L 8.59 4.34 0.00 1.52 1.58 0.88 0.87 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 37 L 8.67 3.85 0.00 0.98 1.22 0.44 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.64 3.87 0.00 1.92 1.77 1.18 1.01 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 39 V 7.29 4.86 2.06 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 0.76 0.00 0.00 0.97 0.00 0.00 40 D 9.35 4.92 0.00 2.44 2.48 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 41 I 8.08 4.10 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.89 0.00 0.00 42 P 0.00 3.66 0.00 1.96 1.94 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.02 0.00 *54 Y 7.15 5.16 0.00 2.98 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.15 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.27 0.00 2.15 2.11 0.00 3.56 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 2.07 2.16 0.00 57 E 8.18 3.99 0.00 2.40 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 0.00 2.57 2.52 0.00 58 A 8.47 3.99 1.42 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 0.00 0.00 0.00 59 A 8.29 3.93 1.42 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 0.00 0.00 0.00 60 A 8.44 3.93 1.43 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 61 F 8.83 4.00 0.00 3.19 3.28 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 62 T 8.46 3.84 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 1.25 0.00 0.00 63 K 8.34 3.84 0.00 1.88 2.04 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.45 7.81 64 K 8.30 3.85 0.00 1.89 1.72 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.42 7.81 65 M 7.54 3.85 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.38 0.00 66 V 7.72 3.76 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 0.91 0.00 0.00 1.03 0.00 0.00 67 E 7.96 3.98 0.00 1.98 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 2.57 0.00 68 N 7.88 4.56 0.00 2.76 2.81 0.00 0.00 7.00 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 69 A 7.67 4.55 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 70 K 8.95 4.47 0.00 1.84 1.90 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.34 7.81 71 K 7.70 4.54 0.00 1.80 1.91 0.00 1.44 0.00 0.00 1.81 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.63 1.53 7.81 72 I 8.52 5.06 2.05 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 1.33 0.91 0.84 0.00 0.00 73 E 9.49 5.17 0.00 1.88 1.77 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 2.19 2.22 0.00 74 V 8.90 4.21 1.80 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 0.13 0.00 0.00 0.05 0.00 0.00 75 Q 8.89 5.14 0.00 2.34 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 76 F 8.94 4.63 0.00 3.13 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 77 D 8.64 5.09 0.00 2.85 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 78 K 9.38 4.37 0.00 1.86 1.97 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.50 7.81 79 G 7.96 4.48 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 80 Q 8.59 4.10 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 81 R 8.59 4.52 0.00 1.72 1.60 0.00 3.30 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.64 0.00 82 T 7.53 5.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 83 D 8.58 4.82 0.00 2.79 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 84 K 8.48 3.72 0.00 1.57 1.84 0.00 1.38 0.00 0.00 1.36 0.00 0.00 2.52 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.92 0.21 7.81 85 Y 7.84 4.39 0.00 3.12 2.98 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 86 G 8.36 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 87 R 8.39 4.36 0.00 2.03 1.79 0.00 3.12 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 1.61 1.63 0.00 88 G 8.30 3.49 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 0.00 0.00 0.00 89 L 9.29 5.18 0.00 1.62 1.66 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.35 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.77 4.76 0.00 3.11 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 92 I 8.78 4.74 1.75 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.77 0.79 0.00 0.00 93 Y 9.30 5.09 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 94 A 9.33 4.96 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 95 D 10.36 4.39 0.00 2.78 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 96 G 8.65 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 0.00 0.00 0.00 97 K 8.22 4.54 0.00 1.82 1.76 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.51 7.81 98 M 8.48 3.98 0.00 1.91 1.59 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.37 0.00 99 V 8.64 3.63 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 1.02 0.00 0.00 0.89 0.00 0.00 100 N 8.07 4.28 0.00 2.89 2.92 0.00 0.00 6.78 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.10 3.92 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 102 A 7.99 4.03 1.67 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 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.10 3.41 0.00 1.87 1.64 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.42 3.82 2.21 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 1.26 0.00 0.00 1.02 0.00 0.00 105 R 8.43 4.04 0.00 1.82 2.05 0.00 3.45 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 106 Q 8.04 4.16 0.00 1.83 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.30 0.00 0.00 0.00 0.00 0.00 1.92 2.20 0.00 107 G 7.90 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 0.00 108 L 7.49 4.22 0.00 1.31 1.50 0.46 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 0.00 109 A 6.90 4.35 1.16 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 0.00 110 K 8.06 4.68 0.00 1.66 1.85 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.17 1.09 7.81 111 V 8.99 4.30 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 0.74 0.00 0.00 1.03 0.00 0.00 112 A 8.16 4.62 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 0.00 113 Y 8.07 4.34 0.00 3.08 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 0.00 114 V 8.51 3.78 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 0.83 0.00 0.00 1.06 0.00 0.00 115 Y 8.41 4.61 0.00 3.07 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 0.00 116 K 9.33 3.66 0.00 1.61 1.55 0.00 1.57 0.00 0.00 1.38 0.00 0.00 2.43 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.56 7.81 117 G 8.30 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 0.00 0.00 0.00 118 N 8.00 4.87 0.00 2.96 2.88 0.00 0.00 6.68 7.51 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 0.00 119 N 8.14 5.15 0.00 3.11 3.04 0.00 0.00 6.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.43 3.83 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 1.03 0.00 0.00 121 H 8.20 4.79 0.00 3.19 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.33 4.01 0.00 2.15 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 2.37 2.45 0.00 123 Q 8.15 4.00 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.65 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 124 H 8.31 4.14 0.00 3.25 3.55 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.30 4.02 0.00 1.90 1.73 1.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.21 3.93 0.00 2.17 1.98 0.00 3.20 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 127 K 8.07 3.91 0.00 1.94 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.60 7.81 128 A 7.67 3.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.54 3.92 0.00 2.16 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 0.00 2.29 2.60 0.00 130 A 8.05 3.70 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.21 3.79 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 132 A 7.95 3.97 1.55 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 0.00 0.00 133 K 7.69 3.28 0.00 0.79 1.33 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.28 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.00 0.79 7.81 134 K 7.89 3.92 0.00 1.77 1.92 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.41 7.81 135 E 7.93 4.31 0.00 2.10 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 2.28 2.44 0.00 136 K 7.78 4.14 0.00 1.94 1.99 0.00 1.71 0.00 0.00 1.99 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.51 7.81 137 L 8.10 4.24 0.00 1.95 1.57 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.52 3.61 0.00 2.43 1.42 0.00 0.00 7.35 7.32 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 0.00 139 I 5.42 2.90 1.32 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 0.61 0.00 0.00 140 W 8.19 4.86 0.00 3.53 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 0.00 141 S 8.80 4.75 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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.