NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.4897 8.3293 120.8389 58.8261 31.5380 173.0801 11 P 4.4223 0.0000 0.0000 63.0916 32.7137 174.1255 12 L 5.0488 7.3822 122.5021 53.7205 44.8936 176.0658 13 M 5.0100 9.2144 123.5810 53.4140 35.2400 174.4109 14 V 4.8709 8.3514 119.0131 61.0192 35.2106 174.1590 15 K 4.9868 9.0811 127.9262 54.6314 35.6503 174.8208 16 V 4.8333 8.9778 126.8814 61.0764 34.6145 174.1109 17 L 5.1470 8.8324 126.8638 52.9191 45.8787 174.8187 18 D 5.1231 9.2124 121.8618 52.8692 42.3187 176.6709 19 A 4.3232 9.4927 128.5818 53.6636 18.7013 178.6013 20 V 3.8709 8.7853 115.4942 65.0957 31.8712 177.1222 21 R 4.3154 8.5037 116.0013 55.3894 31.3476 175.9047 22 G 3.9480 8.1581 106.0192 46.0959 0.0000 172.7334 23 S 4.7803 7.3472 111.3451 55.6892 67.3652 172.9945 24 P 4.5791 0.0000 0.0000 62.8673 31.8047 176.1839 25 A 4.3843 8.8166 125.4294 50.9798 19.6664 176.3042 26 I 4.3032 8.3911 122.5780 61.1033 39.1920 175.6822 27 N 4.2136 8.5863 121.3294 54.3877 36.5434 174.3522 28 V 4.1076 7.7996 118.4543 61.8459 33.0218 174.9499 29 A 4.5767 8.5953 130.0464 51.9572 19.9330 176.0814 30 V 4.8112 8.9528 121.9211 61.3533 35.1328 173.8961 31 H 5.1652 9.2404 124.5170 53.8596 32.0735 172.7071 32 V 4.8390 8.7151 122.9643 61.1262 34.1429 174.3463 33 F 5.5590 9.5174 125.2918 55.7638 43.3151 173.7139 34 R 4.7920 9.0427 121.5928 54.1302 32.8248 174.7840 35 K 3.9471 8.3910 127.6409 56.0796 32.7365 176.7047 36 A 4.2911 8.7350 130.7818 50.6333 19.9335 177.6849 37 A 3.8991 8.4772 122.4987 55.4010 18.3151 178.4104 38 D 4.5718 7.9184 112.7497 53.3054 39.4418 176.0793 39 D 4.1700 7.8380 116.8247 55.9070 38.9269 173.6064 40 T 4.3852 7.4057 115.1143 61.8877 71.0391 174.1643 41 W 4.9314 8.4697 124.3923 56.1384 29.9005 175.5070 42 E 4.8107 9.2081 125.6661 53.9293 31.1666 174.1737 43 P 4.4479 0.0000 0.0000 63.7781 31.4417 174.6191 44 F 4.8222 8.9589 125.4582 59.2143 41.2021 175.0928 45 A 4.6442 7.7101 117.9238 51.2936 22.3474 174.5571 46 S 4.6948 7.6584 113.1681 57.4736 66.2264 173.1685 47 G 3.9450 7.7470 106.9385 46.3034 0.0000 171.9474 48 K 5.3289 8.4310 118.7176 54.1382 35.1356 176.9657 49 T 4.2200 8.6697 114.8967 61.8495 70.1614 174.8044 50 S 4.7727 8.9598 119.1753 57.3981 64.5710 174.5420 51 E 3.8964 8.7450 119.1510 59.2948 29.0651 178.2741 52 S 4.4552 8.0100 111.4108 57.6854 63.4572 174.7050 53 G 3.8656 8.5098 109.3997 45.5987 0.0000 172.8424 54 E 5.1267 7.8011 117.9111 54.0396 33.4692 174.8592 55 L 4.9060 8.8021 124.0551 53.8937 44.9617 175.0673 56 H 4.9151 8.7816 122.3923 54.1211 32.4848 173.6500 57 G 3.8785 8.7086 104.9294 46.8099 0.0000 175.4142 58 L 3.9972 7.9887 121.8892 57.4561 41.8338 176.5668 59 T 4.4102 7.1729 110.0924 61.4643 70.2799 171.5087 60 T 4.8013 8.0374 110.9606 59.3082 71.7731 174.6347 61 E 4.1121 8.8762 121.7087 59.6349 29.8477 178.4039 62 E 4.1070 8.4393 118.4816 59.2643 29.6442 177.4476 63 E 4.2714 7.9285 116.7496 57.8402 30.4760 176.6508 64 F 4.9325 7.9956 123.1875 57.1846 37.7855 174.9519 65 V 3.9613 7.3430 116.2210 60.2429 32.6833 176.2662 66 E 4.4011 8.0538 120.3487 55.6782 30.5551 177.2439 67 G 3.7388 7.9827 109.5951 46.4470 0.0000 170.4460 68 I 4.8107 7.1508 120.2626 60.0748 38.9641 175.0354 69 Y 5.1432 8.9232 124.0856 55.8794 42.0508 174.3647 70 K 4.8399 9.1775 123.4933 54.5388 35.4001 174.7397 71 V 4.8011 9.3492 127.7732 61.1789 33.9530 173.5605 72 E 5.0213 9.4879 129.8457 54.5121 32.0116 174.3265 73 I 4.5566 8.9043 128.5825 59.4985 39.3700 175.7249 74 D 4.9057 8.8708 129.6916 53.6270 37.8308 176.4952 75 T 3.9487 7.7348 114.7329 64.0655 69.3521 176.4496 76 K 4.0862 8.1714 122.0458 59.7540 32.2496 178.7554 77 S 4.1565 8.3225 115.0384 61.5176 62.4446 176.0249 78 Y 3.8983 7.3778 120.0713 60.6054 38.8357 178.0777 79 W 4.4010 8.1084 119.7438 59.6733 29.1891 178.6404 80 K 3.9949 8.6303 118.7078 59.5149 31.3323 178.9357 81 A 4.1491 8.0090 119.0595 53.7660 18.3872 178.4140 82 L 4.4358 7.7111 115.9556 53.6694 42.2946 176.8073 83 G 3.8908 8.0238 107.0023 46.4187 0.0000 173.3867 84 I 4.4370 7.7585 119.3867 58.8194 39.6278 175.3513 85 S 4.2800 8.7789 120.6629 57.3050 62.3059 171.5932 86 P 4.5666 0.0000 0.0000 61.1192 33.3072 175.6628 87 F 3.8086 8.3153 121.6857 61.0784 39.4117 175.8888 88 H 4.5085 7.7998 115.7241 54.9430 29.6101 175.4587 89 E 4.0323 8.6200 122.3148 59.6832 29.5460 176.1304 90 H 4.7924 7.5745 110.7032 55.9293 31.4540 172.8139 91 A 4.3374 8.5512 120.3643 50.0559 20.8342 175.3807 92 E 5.0250 8.8799 122.1043 54.5254 32.2567 175.7174 93 V 4.4948 9.0807 123.8430 61.1206 34.4731 174.1847 94 V 5.1072 8.6595 127.7417 61.1241 33.8586 174.3469 95 F 5.1473 8.9960 121.5089 56.1332 41.7836 173.0658 96 T 4.9029 8.6720 116.8410 62.4306 69.8033 174.2536 97 A 4.4977 9.2249 132.3002 52.2426 19.0939 178.0476 98 N 5.2290 8.8511 117.6423 51.0954 40.4846 171.2761 *104 R 4.3527 7.6925 115.0621 57.0273 32.1097 173.9030 105 Y 4.9195 9.1862 121.4075 56.5299 40.7124 174.6741 106 T 4.9011 9.0350 121.7941 61.8305 71.3750 173.3359 107 I 4.6691 8.7529 128.1755 59.7628 38.9847 174.5337 108 A 5.2791 8.8837 129.3415 49.9987 21.9393 174.9464 109 A 5.1073 9.0063 122.4779 49.9891 22.9352 174.6653 110 L 5.0175 9.0849 124.2959 53.2625 44.7700 174.9250 111 L 5.4056 8.9973 126.5662 53.3006 44.2638 175.8549 112 S 5.1580 9.4128 118.7994 55.9998 67.0527 173.3513 113 P 3.0637 0.0000 0.0000 65.2688 31.0532 177.8515 114 Y 4.5732 7.7589 111.9262 57.1951 38.5355 175.0031 115 S 4.7484 8.0751 113.5363 57.5383 65.7009 172.7227 116 Y 5.5223 7.8154 122.6480 55.8801 41.1090 174.0016 117 S 4.9189 9.1832 115.9565 57.1242 66.6859 173.1543 118 T 5.2150 8.5127 116.5479 60.9122 70.4800 172.8676 119 T 4.8745 9.0708 122.8451 61.7834 73.4791 172.3993 120 A 5.0221 8.5638 124.9233 50.1522 21.6089 175.7412 121 V 4.1733 8.7219 123.1497 61.0250 33.8415 174.5906 122 V 4.6718 8.3493 128.1417 61.1864 33.4095 175.1873 123 T 4.2447 8.5053 118.0431 61.8813 68.4673 173.8009 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 10 C 8.33 4.49 0.00 2.95 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 11 P 0.00 4.42 0.00 2.37 2.41 0.00 3.76 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 1.82 2.21 0.00 12 L 7.38 5.05 0.00 0.63 1.04 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.21 5.01 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 14 V 8.35 4.87 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 0.95 0.00 0.00 0.88 0.00 0.00 15 K 9.08 4.99 0.00 1.75 1.53 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.31 7.81 16 V 8.98 4.83 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 0.75 0.00 0.00 0.81 0.00 0.00 17 L 8.83 5.15 0.00 1.59 1.50 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.21 5.12 0.00 2.65 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 19 A 9.49 4.32 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 20 V 8.79 3.87 2.55 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 0.92 0.00 0.00 1.07 0.00 0.00 21 R 8.50 4.32 0.00 2.08 2.03 0.00 3.71 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 22 G 8.16 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 23 S 7.35 4.78 0.00 3.87 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 24 P 0.00 4.58 0.00 1.94 2.15 0.00 3.67 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 2.14 2.09 0.00 25 A 8.82 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.39 4.30 1.90 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 1.52 0.64 0.93 0.00 0.00 27 N 8.59 4.21 0.00 2.90 2.92 0.00 0.00 6.89 7.30 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 28 V 7.80 4.11 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 0.86 0.00 0.00 0.67 0.00 0.00 29 A 8.60 4.58 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 30 V 8.95 4.81 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 0.97 0.00 0.00 0.92 0.00 0.00 31 H 9.24 5.17 0.00 3.01 2.69 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.72 4.84 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 1.28 0.00 0.00 0.94 0.00 0.00 33 F 9.52 5.56 0.00 2.96 3.24 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 34 R 9.04 4.79 0.00 1.44 1.69 0.00 3.00 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 35 K 8.39 3.95 0.00 1.34 1.28 0.00 1.14 0.00 0.00 1.32 0.00 0.00 2.65 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.86 0.21 7.81 36 A 8.74 4.29 1.23 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 0.00 0.00 37 A 8.48 3.90 1.23 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 0.00 0.00 38 D 7.92 4.57 0.00 2.74 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 39 D 7.84 4.17 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 40 T 7.41 4.39 4.34 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 0.00 0.00 0.00 1.25 0.00 0.00 41 W 8.47 4.93 0.00 2.94 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 42 E 9.21 4.81 0.00 2.14 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 2.28 2.46 0.00 43 P 0.00 4.45 0.00 2.02 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 2.17 2.39 0.00 44 F 8.96 4.82 0.00 3.12 3.17 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 45 A 7.71 4.64 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 46 S 7.66 4.69 0.00 3.61 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 47 G 7.75 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 48 K 8.43 5.33 0.00 1.57 1.66 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.31 7.81 49 T 8.67 4.22 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 1.15 0.00 0.00 50 S 8.96 4.77 0.00 3.97 4.12 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 51 E 8.75 3.90 0.00 1.97 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 0.00 2.32 2.31 0.00 52 S 8.01 4.46 0.00 3.99 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 G 8.51 3.87 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 0.00 0.00 0.00 54 E 7.80 5.13 0.00 1.93 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 0.00 2.24 2.43 0.00 55 L 8.80 4.91 0.00 1.61 1.38 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.78 4.92 0.00 2.97 3.15 0.00 6.05 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.71 3.88 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 0.00 0.00 0.00 58 L 7.99 4.00 0.00 1.56 1.70 0.85 0.76 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 59 T 7.17 4.41 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 0.97 0.00 0.00 60 T 8.04 4.80 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 1.21 0.00 0.00 61 E 8.88 4.11 0.00 2.05 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 2.38 2.35 0.00 62 E 8.44 4.11 0.00 1.97 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 2.34 2.35 0.00 63 E 7.93 4.27 0.00 2.00 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 0.00 2.27 2.61 0.00 64 F 8.00 4.93 0.00 3.12 3.04 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 65 V 7.34 3.96 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 0.85 0.00 0.00 0.96 0.00 0.00 66 E 8.05 4.40 0.00 1.88 1.85 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 2.49 2.16 0.00 67 G 7.98 3.74 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 0.00 0.00 0.00 68 I 7.15 4.81 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.52 1.12 0.00 0.00 69 Y 8.92 5.14 0.00 1.65 2.50 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 70 K 9.18 4.84 0.00 0.79 0.86 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.05 1.02 7.81 71 V 9.35 4.80 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 0.83 0.00 0.00 1.17 0.00 0.00 72 E 9.49 5.02 0.00 2.03 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 2.14 1.96 0.00 73 I 8.90 4.56 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.48 0.78 0.00 0.00 74 D 8.87 4.91 0.00 2.79 2.58 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 75 T 7.73 3.95 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 1.14 0.00 0.00 76 K 8.17 4.09 0.00 2.17 1.90 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.60 7.81 77 S 8.32 4.16 0.00 4.05 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 78 Y 7.38 3.90 0.00 2.77 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 79 W 8.11 4.40 0.00 3.54 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 80 K 8.63 3.99 0.00 2.02 1.89 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.61 7.81 81 A 8.01 4.15 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 82 L 7.71 4.44 0.00 1.84 1.75 0.32 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.02 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 0.00 0.00 0.00 84 I 7.76 4.44 2.15 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 1.37 1.02 0.79 0.00 0.00 85 S 8.78 4.28 0.00 3.87 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 86 P 0.00 4.57 0.00 2.25 2.05 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 87 F 8.32 3.81 0.00 1.79 2.67 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 88 H 7.80 4.51 0.00 3.30 3.47 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.62 4.03 0.00 1.76 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 2.17 2.15 0.00 90 H 7.57 4.79 0.00 3.23 3.25 0.00 5.09 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.55 4.34 0.36 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 92 E 8.88 5.02 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 2.12 2.41 0.00 93 V 9.08 4.49 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 1.06 0.00 0.00 0.98 0.00 0.00 94 V 8.66 5.11 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 1.12 0.00 0.00 0.87 0.00 0.00 95 F 9.00 5.15 0.00 3.22 3.15 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 0.00 0.00 0.00 0.00 96 T 8.67 4.90 4.34 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 0.00 0.00 0.00 1.30 0.00 0.00 97 A 9.22 4.50 0.70 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 98 N 8.85 5.23 0.00 2.68 2.67 0.00 0.00 6.97 9.00 0.00 0.00 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 R 7.69 4.35 0.00 1.77 1.94 0.00 3.04 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 105 Y 9.19 4.92 0.00 2.92 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 0.00 106 T 9.03 4.90 4.20 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 1.17 0.00 0.00 107 I 8.75 4.67 1.82 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.96 0.88 0.00 0.00 108 A 8.88 5.28 1.19 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 0.00 0.00 109 A 9.01 5.11 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 L 9.08 5.02 0.00 1.78 1.58 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.00 5.41 0.00 1.79 1.98 0.48 0.91 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 0.00 112 S 9.41 5.16 0.00 3.91 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 0.00 113 P 0.00 3.06 0.00 2.06 1.67 0.00 3.27 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.53 0.00 114 Y 7.76 4.57 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 0.00 115 S 8.08 4.75 0.00 3.80 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 0.00 116 Y 7.82 5.52 0.00 3.09 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 0.00 117 S 9.18 4.92 0.00 3.82 3.78 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 0.00 118 T 8.51 5.22 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 1.34 0.00 0.00 119 T 9.07 4.87 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 0.00 120 A 8.56 5.02 1.09 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 0.00 121 V 8.72 4.17 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 0.87 0.00 0.00 0.90 0.00 0.00 122 V 8.35 4.67 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 0.33 0.00 0.00 0.60 0.00 0.00 123 T 8.51 4.24 4.20 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.