NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3970 0.0000 0.0000 62.2734 32.7831 176.0848 6 T 3.8175 8.1087 109.8422 60.7578 69.5162 173.3258 7 I 3.6043 8.7368 123.3692 64.6586 38.7957 178.8530 8 N 4.2811 7.7103 117.7814 56.7029 38.4926 176.9409 9 Q 3.9814 8.3054 119.9499 58.8862 28.4461 178.3382 10 L 3.8438 7.8923 119.5364 57.7085 41.4227 179.4914 11 V 3.6361 7.7138 117.3955 66.1288 31.5140 178.1401 12 R 4.0635 7.5687 115.9013 59.0668 30.0637 178.0357 13 K 4.3155 8.9102 117.1772 56.6487 33.2062 178.1257 14 G 3.9723 7.5859 102.1894 44.9161 0.0000 172.6988 15 R 4.2010 7.9428 117.5020 55.1675 30.9095 176.2484 16 E 4.1887 8.5559 123.3460 54.9489 30.1969 176.2080 17 K 4.1179 8.4994 127.6998 55.9805 33.4544 175.4520 18 V 3.1369 8.2988 114.5594 62.1413 31.0752 174.8154 19 R 4.0952 9.0227 125.5447 56.7214 31.1942 174.8659 20 K 4.6803 8.2379 123.1723 54.7417 35.2504 175.8007 21 K 4.1661 8.3045 120.2529 55.6654 33.1773 177.0190 22 S 4.2025 8.4448 117.1827 57.6369 61.7633 174.6440 23 K 3.8615 8.4895 129.9991 58.3330 32.0560 176.7960 24 V 4.0109 7.4571 116.8123 62.4375 34.1285 172.2992 25 P 4.5751 0.0000 0.0000 61.8195 30.1179 175.7173 26 A 4.2293 7.6927 115.7051 53.5904 19.1174 178.4327 27 L 2.9222 8.0845 118.3595 58.0433 40.9998 175.2379 28 K 4.2000 9.3985 113.6500 58.0505 29.6745 175.4787 29 G 3.8500 7.8653 107.9766 46.3371 0.0000 174.5016 30 A 4.3354 8.1182 123.3406 50.3537 19.8665 177.4928 31 P 3.9707 0.0000 0.0000 65.6916 31.4886 175.8866 32 F 5.0180 7.4606 113.1058 56.6668 43.9217 173.9591 33 R 4.7045 8.6650 119.4556 55.1122 33.8086 173.9126 34 R 4.7974 8.8782 126.6150 56.3368 31.8584 175.0398 35 G 4.4864 9.1655 111.1028 45.5839 0.0000 171.9747 36 V 4.5881 8.7883 121.1608 61.5985 33.8323 176.6202 37 C 4.8324 8.1432 123.1765 61.7017 29.5624 172.0778 38 T 4.3288 8.2974 120.3441 63.4876 68.9805 174.1500 39 V 4.3511 6.8256 120.5495 61.6157 34.9513 173.5186 40 V 4.3877 8.1492 126.8925 61.5011 30.8097 174.6979 41 R 4.6028 7.9128 124.4724 55.4307 33.7709 174.1263 42 T 4.7838 8.3475 112.6193 61.3185 70.1378 175.0236 43 V 4.5303 8.8950 122.6267 60.0407 34.9092 174.7733 44 T 4.9406 8.2098 112.4402 59.8129 69.9432 172.8545 45 P 4.3565 0.0000 0.0000 61.3772 33.8384 177.5230 46 K 4.5263 7.7921 127.4110 56.4508 30.0678 177.8227 47 K 4.0535 8.4950 120.1395 57.2027 32.0620 174.6888 48 P 4.4570 0.0000 0.0000 64.2264 32.0405 176.3477 49 N 5.0269 7.5682 116.8646 51.6484 40.7591 174.1172 50 S 4.5434 8.2816 114.3054 56.3037 65.6961 173.6285 51 A 4.3459 7.6671 127.3936 52.8317 23.1984 175.7690 52 L 4.9091 8.2414 111.0721 53.2671 43.0962 175.9251 53 R 4.3267 8.9990 122.4242 55.8154 31.9437 175.5208 54 K 4.6184 8.9028 122.8018 55.8453 34.0614 176.2736 55 V 5.0396 8.2540 117.5857 59.8251 36.5171 174.2542 56 A 4.9921 8.6633 121.2381 51.0935 22.7585 176.2558 57 K 4.5641 9.1888 122.3060 56.0583 34.0926 176.3380 58 V 4.7202 8.8914 122.1892 61.3329 35.7855 173.8600 59 R 4.7724 9.6508 128.5353 54.9588 31.2826 175.2333 60 L 4.9774 8.6186 127.3400 53.6889 42.8563 177.5768 61 T 3.9853 8.5394 112.1103 64.7925 69.2238 176.5508 62 S 4.0860 8.0669 113.4049 58.6730 62.5571 175.8462 63 G 4.1018 8.1180 111.0883 46.4597 0.0000 173.8310 64 Y 4.3189 7.7674 117.0767 57.9203 39.9098 175.2689 65 E 5.6417 8.3159 119.7556 55.8936 30.3730 174.4344 66 V 4.3720 7.8910 118.7195 59.7235 34.8561 174.0912 67 T 5.0787 8.3225 111.3081 60.2941 70.8099 173.5323 68 A 5.1242 9.2347 125.0658 50.5669 23.5891 173.6430 69 Y 5.2374 8.8597 120.2469 56.1832 41.0776 174.8295 70 I 4.2223 7.6169 120.8714 58.2101 37.7590 173.4792 71 P 3.7638 0.0000 0.0000 62.8626 31.5801 175.5555 72 G 4.0201 8.5834 110.1223 45.3624 0.0000 172.9674 73 E 4.0829 8.6107 118.4033 56.7897 29.5685 176.2083 74 G 4.1398 10.4787 114.6360 46.2422 0.0000 171.5486 75 H 4.6693 8.1536 116.5227 54.5662 31.0047 173.0176 76 N 4.7683 8.4150 116.6856 51.0945 37.8172 173.4927 77 L 4.6432 7.8798 122.3437 53.5995 45.8361 175.3453 78 Q 4.6488 8.1327 120.2044 53.7889 32.6898 175.1135 79 E 3.8481 8.4797 118.5391 59.8611 29.9411 176.7094 80 H 4.5317 8.1654 115.6337 53.9666 30.2768 174.8492 81 S 5.6980 8.1580 128.3792 58.0858 64.1437 176.0228 82 V 4.2559 9.1113 130.7560 63.3724 32.5831 174.9585 83 V 4.5704 9.2809 125.4577 61.8572 35.9657 172.1133 84 L 5.0027 8.2631 125.6436 53.3075 44.1656 175.3628 85 I 4.7185 8.8384 127.4942 60.9485 38.4303 176.2660 86 R 4.5931 9.2184 123.9323 54.7201 32.2874 171.8783 87 G 3.6415 8.6990 115.8179 43.8914 0.0000 173.1300 88 G 4.5982 7.9064 126.5647 45.0898 0.0000 171.9202 89 R 4.1257 7.9186 122.7290 55.1094 29.6527 177.2537 90 V 4.1566 7.7329 115.7167 60.1537 32.1650 173.0108 91 K 4.2174 8.0539 133.4218 54.8092 32.5324 174.0287 92 D 4.3612 7.5010 122.8354 54.8312 47.3800 175.2484 93 L 4.3715 7.5217 122.8169 52.1971 41.0701 174.0864 94 P 4.4563 0.0000 0.0000 63.9502 31.5607 177.2816 95 G 3.9327 9.1480 111.4971 44.9544 0.0000 173.0824 96 V 4.2614 7.9657 120.4518 61.6736 32.1533 175.6712 97 R 4.7410 8.8111 124.8314 55.8768 31.3423 174.4865 98 Y 5.2556 7.8749 114.7640 57.0985 42.7939 173.5658 99 H 5.4329 9.1392 118.0867 54.4310 32.2482 173.3291 100 I 4.7753 8.2832 121.7931 59.8841 38.6483 175.8829 101 V 3.8112 8.7224 127.4230 62.6561 31.7812 175.5473 102 R 4.2758 8.5468 126.8591 56.4519 31.1703 177.0436 103 G 3.8980 9.5093 111.1995 45.3062 0.0000 173.0929 104 V 4.2021 6.8969 117.5012 61.7712 34.9517 175.9152 105 Y 3.7243 8.7989 124.2243 58.7787 35.8762 171.2818 106 D 4.5463 8.3647 123.7133 56.3165 40.6213 176.3664 107 A 4.3869 8.0884 124.6080 50.0091 18.3766 177.2674 108 A 4.2896 8.7667 124.9767 53.1656 19.1144 177.2692 109 G 4.3023 8.1029 106.1867 44.9436 0.0000 172.7244 110 V 4.2751 7.9675 120.1758 61.1256 32.7140 175.9678 111 K 4.2867 8.5439 130.4078 58.1006 32.1299 176.6629 112 D 4.7658 9.1979 126.9003 53.8670 38.8722 174.7475 113 R 3.8422 7.2745 118.9807 56.8780 30.2011 176.0024 114 K 4.7164 8.5767 121.9875 55.9526 34.9650 176.0261 115 K 4.4197 7.4904 117.7937 56.3720 31.7701 180.4487 116 S 4.4772 8.8462 122.1992 60.2265 60.0473 173.2711 117 R 4.3188 8.0922 123.8031 57.7100 31.0332 178.8331 118 S 4.1000 8.3873 111.9619 61.0601 62.4022 174.7109 119 K 4.3304 7.9632 118.1568 56.8678 33.1554 177.5402 120 Y 3.4979 8.3573 116.5172 57.3413 36.4776 168.7054 121 G 4.0925 7.6433 105.4790 45.0966 0.0000 171.3348 122 T 4.8677 8.1858 119.1207 61.6409 72.8614 174.6050 123 K 4.0433 8.5380 125.7334 55.6810 32.7312 176.7070 124 K 3.9544 8.5243 123.7526 55.7888 31.6107 174.7039 125 P 4.3337 0.0000 0.0000 62.4318 31.8074 176.0051 126 K 4.1838 8.4414 122.1405 56.0324 32.6791 177.4106 127 E 3.7885 8.8402 125.0606 56.9575 30.2372 176.0005 128 A 3.4093 7.1304 120.6769 52.7192 15.8812 177.3034 *129 A 4.1172 7.6715 126.4848 51.8116 18.9464 177.0505 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 5 P 0.00 4.40 0.00 2.19 2.12 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 8.11 3.82 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 1.21 0.00 0.00 7 I 8.74 3.60 1.87 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 1.52 1.19 0.91 0.00 0.00 8 N 7.71 4.28 0.00 2.89 2.81 0.00 0.00 7.26 6.57 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 9 Q 8.31 3.98 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 10 L 7.89 3.84 0.00 1.81 1.72 0.92 0.84 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 11 V 7.71 3.64 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 0.83 0.00 0.00 0.98 0.00 0.00 12 R 7.57 4.06 0.00 1.96 1.97 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.08 0.00 13 K 8.91 4.32 0.00 1.72 1.81 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 14 G 7.59 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 15 R 7.94 4.20 0.00 1.81 1.86 0.00 3.37 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 16 E 8.56 4.19 0.00 1.92 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 2.27 2.29 0.00 17 K 8.50 4.12 0.00 1.75 1.69 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 8.30 3.14 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 0.72 0.00 0.00 0.92 0.00 0.00 19 R 9.02 4.10 0.00 1.91 2.11 0.00 3.17 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 20 K 8.24 4.68 0.00 1.84 1.72 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.34 7.81 21 K 8.30 4.17 0.00 1.76 1.78 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.42 7.81 22 S 8.44 4.20 0.00 3.84 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 23 K 8.49 3.86 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.40 7.81 24 V 7.46 4.01 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 0.53 0.00 0.00 0.47 0.00 0.00 25 P 0.00 4.58 0.00 2.22 2.16 0.00 3.98 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 2.23 2.19 0.00 26 A 7.69 4.23 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 27 L 8.08 2.92 0.00 1.57 1.53 0.86 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.40 4.20 0.00 1.81 2.11 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 29 G 7.87 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 30 A 8.12 4.34 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 3.97 0.00 1.99 1.85 0.00 3.71 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 2.03 2.05 0.00 32 F 7.46 5.02 0.00 2.99 2.97 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 33 R 8.66 4.70 0.00 1.90 1.75 0.00 3.14 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 34 R 8.88 4.80 0.00 2.14 1.87 0.00 3.10 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.14 0.00 35 G 9.17 4.49 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 36 V 8.79 4.59 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 0.94 0.00 0.00 0.94 0.00 0.00 37 C 8.14 4.83 0.00 3.15 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 38 T 8.30 4.33 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 1.22 0.00 0.00 39 V 6.83 4.35 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 0.90 0.00 0.00 0.93 0.00 0.00 40 V 8.15 4.39 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 0.97 0.00 0.00 0.95 0.00 0.00 41 R 7.91 4.60 0.00 2.01 1.83 0.00 3.13 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 42 T 8.35 4.78 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 1.23 0.00 0.00 43 V 8.90 4.53 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 0.80 0.00 0.00 1.00 0.00 0.00 44 T 8.21 4.94 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 45 P 0.00 4.36 0.00 2.17 2.20 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 46 K 7.79 4.53 0.00 2.06 0.88 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.36 7.81 47 K 8.50 4.05 0.00 1.82 1.57 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.41 7.81 48 P 0.00 4.46 0.00 2.21 2.16 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 49 N 7.57 5.03 0.00 2.65 2.75 0.00 0.00 6.61 7.42 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 50 S 8.28 4.54 0.00 3.76 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 51 A 7.67 4.35 1.27 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 0.00 0.00 0.00 52 L 8.24 4.91 0.00 1.51 1.60 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 53 R 9.00 4.33 0.00 1.86 1.97 0.00 3.20 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 54 K 8.90 4.62 0.00 1.61 1.56 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.53 7.81 55 V 8.25 5.04 2.20 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 0.93 0.00 0.00 0.98 0.00 0.00 56 A 8.66 4.99 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 57 K 9.19 4.56 0.00 1.70 1.72 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.39 7.81 58 V 8.89 4.72 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 1.01 0.00 0.00 0.93 0.00 0.00 59 R 9.65 4.77 0.00 1.82 1.89 0.00 3.19 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 60 L 8.62 4.98 0.00 1.70 1.64 0.88 1.09 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 61 T 8.54 3.99 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 1.33 0.00 0.00 62 S 8.07 4.09 0.00 3.83 4.04 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 0.00 0.00 0.00 63 G 8.12 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 0.00 0.00 0.00 64 Y 7.77 4.32 0.00 2.90 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 65 E 8.32 5.64 0.00 1.92 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 2.18 2.31 0.00 66 V 7.89 4.37 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.29 0.00 0.00 67 T 8.32 5.08 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 1.23 0.00 0.00 68 A 9.23 5.12 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 Y 8.86 5.24 0.00 2.90 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.62 4.22 1.60 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.42 0.82 0.00 0.00 71 P 0.00 3.76 0.00 1.78 1.86 0.00 3.62 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 2.03 1.96 0.00 72 G 8.58 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.61 4.08 0.00 1.98 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 2.32 0.00 74 G 10.48 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 75 H 8.15 4.67 0.00 3.22 3.20 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.42 4.77 0.00 2.77 2.82 0.00 0.00 5.81 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 77 L 7.88 4.64 0.00 1.68 1.59 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.13 4.65 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 79 E 8.48 3.85 0.00 1.96 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 0.00 2.23 2.49 0.00 80 H 8.17 4.53 0.00 3.15 3.23 0.00 6.11 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.16 5.70 0.00 4.22 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 82 V 9.11 4.26 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 0.87 0.00 0.00 0.93 0.00 0.00 83 V 9.28 4.57 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 0.87 0.00 0.00 1.01 0.00 0.00 84 L 8.26 5.00 0.00 1.17 1.17 0.76 0.47 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 85 I 8.84 4.72 2.09 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 1.04 0.43 1.10 0.00 0.00 86 R 9.22 4.59 0.00 1.93 2.13 0.00 3.46 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 87 G 8.70 3.64 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 0.00 0.00 0.00 88 G 7.91 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.92 4.13 0.00 1.89 1.95 0.00 2.55 0.00 0.00 3.77 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 90 V 7.73 4.16 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 0.68 0.00 0.00 0.75 0.00 0.00 91 K 8.05 4.22 0.00 1.70 1.76 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.50 7.81 92 D 7.50 4.36 0.00 2.52 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 93 L 7.52 4.37 0.00 1.68 1.57 0.68 0.77 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 94 P 0.00 4.46 0.00 2.03 2.00 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 95 G 9.15 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 0.00 0.00 0.00 96 V 7.97 4.26 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 1.06 0.00 0.00 0.95 0.00 0.00 97 R 8.81 4.74 0.00 1.97 1.65 0.00 3.13 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 98 Y 7.87 5.26 0.00 2.87 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 99 H 9.14 5.43 0.00 3.15 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.28 4.78 1.96 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 1.13 0.55 0.87 0.00 0.00 101 V 8.72 3.81 1.89 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 0.54 0.00 0.00 0.89 0.00 0.00 102 R 8.55 4.28 0.00 1.78 1.91 0.00 3.27 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 103 G 9.51 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 0.00 0.00 0.00 104 V 6.90 4.20 1.71 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 -0.03 0.00 0.00 0.69 0.00 0.00 105 Y 8.80 3.72 0.00 3.15 2.83 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 0.00 106 D 8.36 4.55 0.00 2.90 2.73 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 0.00 107 A 8.09 4.39 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 A 8.77 4.29 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 0.00 109 G 8.10 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 0.00 110 V 7.97 4.28 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 0.93 0.00 0.00 1.27 0.00 0.00 111 K 8.54 4.29 0.00 1.81 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 112 D 9.20 4.77 0.00 2.85 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 0.00 113 R 7.27 3.84 0.00 1.69 1.81 0.00 3.22 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.52 0.00 114 K 8.58 4.72 0.00 1.70 1.73 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.66 7.81 115 K 7.49 4.42 0.00 1.62 0.85 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.32 7.81 116 S 8.85 4.48 0.00 3.90 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 0.00 117 R 8.09 4.32 0.00 1.89 2.09 0.00 3.27 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 118 S 8.39 4.10 0.00 3.85 3.96 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 0.00 119 K 7.96 4.33 0.00 2.23 1.65 0.00 1.95 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.55 7.81 120 Y 8.36 3.50 0.00 3.27 3.16 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 0.00 121 G 7.64 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 0.00 122 T 8.19 4.87 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 1.28 0.00 0.00 123 K 8.54 4.04 0.00 1.75 1.74 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.37 7.81 124 K 8.52 3.95 0.00 1.71 1.77 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 125 P 0.00 4.33 0.00 2.21 2.04 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 126 K 8.44 4.18 0.00 1.85 1.72 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.63 7.81 127 E 8.84 3.79 0.00 2.00 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 2.31 2.30 0.00 128 A 7.13 3.41 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *129 A 7.67 4.12 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 * Residues marked with a * may have inaccurate shift predictions.