NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3325 8.2649 123.5787 52.3453 19.3008 177.2039 2 C 4.9740 8.4418 114.0939 55.8890 43.7385 172.2863 3 D 4.2925 9.5408 124.0409 56.9824 42.2328 176.4793 4 Y 4.7410 7.8436 114.4800 56.4211 42.7895 174.6858 5 T 4.9783 8.6966 119.0368 62.2441 72.1989 173.9601 6 C 5.0219 9.1031 125.9446 55.6764 41.8108 175.3856 7 G 3.6544 8.1619 117.7261 46.9737 0.0000 174.3694 8 S 4.5216 8.7418 119.3902 57.9039 63.8776 173.9010 9 N 4.2618 8.0106 120.2830 53.1492 38.8788 172.9569 10 C 5.2008 8.1199 121.6342 55.1120 46.7479 172.3429 11 Y 5.3873 9.2311 124.8081 56.3648 40.7900 175.8845 12 S 5.0151 9.5223 118.7489 56.9942 65.7281 175.2518 13 S 4.3462 9.5601 116.4847 62.0907 62.3939 177.4913 14 S 4.1616 8.0499 117.3181 61.6106 62.7391 176.2485 15 D 4.3887 7.9982 121.2261 57.2552 40.5266 179.0242 16 V 3.4279 7.8198 119.0307 65.9759 31.5626 178.2904 17 S 4.0468 8.2257 114.1038 61.5876 62.6208 176.5348 18 T 3.7879 7.8948 119.0403 66.3028 68.2352 176.3876 19 A 4.1719 7.8692 122.3268 55.2771 18.4241 179.1884 20 Q 3.6051 8.1238 117.8902 59.4109 28.9718 178.4864 21 A 3.7824 8.2518 121.6401 55.2011 18.2675 179.5708 22 A 3.7838 7.4909 119.2472 55.0176 18.4894 180.1567 23 G 2.2083 6.8254 104.1073 47.5742 0.0000 175.4028 24 Y 3.7713 7.3824 122.4282 59.9789 38.6186 177.6809 25 Q 3.6907 7.5971 120.3780 58.8519 29.1446 178.0713 26 L 3.8246 7.3013 119.5769 58.0548 41.5534 178.8149 27 H 3.9533 7.8218 117.9943 59.3385 29.4535 176.8036 28 E 3.5833 7.3486 119.5701 59.1226 29.5752 177.8539 29 D 4.5341 7.9718 115.9758 53.8780 41.2367 176.3960 30 G 3.7268 7.6715 109.9195 47.4864 0.0000 173.8206 31 E 5.0023 8.4040 116.4898 54.6832 33.4158 177.6978 32 T 5.0633 8.2924 106.5325 61.7821 71.9248 173.4741 33 V 4.4841 9.6616 117.1141 60.9649 34.8260 176.7579 34 G 4.4520 9.1058 110.7711 46.3083 0.0000 175.3331 *35 S 4.2072 8.4450 115.5652 60.8663 62.4787 176.3430 36 N 4.3674 8.1885 115.1449 53.5326 38.5520 174.1359 37 S 3.7718 7.6704 113.6093 58.6598 60.5571 169.7065 38 Y 5.1492 9.1482 122.4642 54.9240 40.6647 173.4230 39 P 5.6351 0.0000 0.0000 63.3892 32.7956 174.9718 40 H 5.2843 8.9201 115.4240 53.4448 32.4000 172.7785 41 K 4.2139 8.9991 119.0089 57.1976 32.7448 175.9419 42 Y 4.6168 8.5412 128.7531 56.6917 39.0433 175.6715 *43 N 4.3281 8.5975 124.7410 54.5896 38.0854 170.2406 44 N 3.6958 6.6245 120.7917 53.2887 39.8287 174.4470 *46 E 3.9438 8.6161 123.1684 54.6956 31.9707 175.3562 47 G 4.1559 7.1776 106.7351 46.4120 0.0000 173.3499 48 F 4.3762 8.1765 118.1499 57.8278 40.1438 176.1179 *49 D 4.8825 8.2957 121.7888 51.5170 41.4163 176.9095 50 F 5.1973 8.4798 122.4040 55.3982 41.6495 175.3514 51 S 4.8958 8.7112 114.7672 58.3941 62.9030 174.6954 52 V 4.6390 7.6537 112.6152 59.4551 35.1317 175.6276 53 S 4.5248 8.5534 117.6601 57.6267 63.9599 173.9061 54 S 3.2095 7.8167 116.6876 56.0745 64.2008 171.7899 55 P 4.1025 0.0000 0.0000 63.0635 32.2398 174.8848 56 Y 5.1209 7.8899 118.0708 56.5833 41.4396 174.1905 57 Y 5.0750 9.0082 119.4444 55.9745 42.4696 174.2355 58 E 5.1747 9.5106 119.1290 54.4782 33.1456 174.6640 59 W 5.3090 8.9223 130.9622 55.0584 34.6405 172.3255 60 P 4.2394 0.0000 0.0000 62.3569 31.3558 175.3313 61 I 4.2957 7.9031 124.3552 59.0669 40.1386 174.6287 62 L 4.7677 8.2684 128.8779 52.7874 43.5205 177.8153 63 S 4.4270 8.7691 117.0649 61.1519 63.1853 175.8595 64 S 4.1469 8.0378 114.9561 59.6306 62.8974 175.2873 65 G 4.0477 8.2473 109.1540 45.1510 0.0000 173.5690 66 D 4.5587 7.4004 118.9602 53.9305 41.4667 176.0767 67 V 4.0096 8.1245 121.8674 62.0215 32.3707 175.3791 68 Y 4.1754 8.7991 128.4409 58.3051 38.8253 175.7438 69 S 4.5395 8.1565 120.6294 58.3570 63.8624 174.1178 70 G 3.7534 5.9777 107.9818 46.1483 0.0000 176.0889 71 G 4.2231 7.1920 116.7944 45.3842 0.0000 175.0055 72 S 4.4708 8.7082 120.7592 57.1599 63.6415 172.9929 73 P 3.7807 0.0000 0.0000 63.2801 31.8981 177.8812 74 G 3.7460 7.9274 106.5123 45.1314 0.0000 172.2019 75 A 4.7197 8.4338 117.9836 52.1933 21.5195 176.7949 76 D 5.2973 7.9771 115.7567 53.1758 43.1191 175.9220 77 R 4.8222 8.8675 120.8795 54.4709 34.8691 174.5191 78 V 4.2311 8.9328 116.2881 60.1037 33.8171 175.0580 79 V 4.7483 8.4273 125.4031 61.0043 33.5186 174.4581 80 F 5.5492 8.5178 122.1735 55.2642 42.2977 173.4911 81 N 5.5769 8.8147 117.1430 50.3686 39.7709 175.3353 82 E 4.3130 9.0652 118.6098 59.3624 29.7719 176.9082 83 N 4.6858 8.4219 114.0393 52.6975 38.6591 174.0098 84 N 3.6398 7.8903 115.0057 54.9169 37.7149 173.9520 85 Q 4.5981 8.0009 114.7248 53.2823 31.9852 175.3248 86 L 4.3058 8.4753 123.9558 55.1850 42.8060 176.2189 87 A 3.9946 8.6877 129.9513 52.8060 19.4665 176.8549 88 G 3.8152 6.0965 99.4076 46.4211 0.0000 171.1300 89 V 4.7486 7.5353 118.8055 60.8331 34.4591 175.1124 90 I 5.0302 8.5601 120.4052 59.4926 41.4767 173.9226 91 T 5.3018 8.9928 116.4201 61.1850 70.9025 174.2545 92 H 4.5823 9.4664 122.9758 56.7292 29.2817 175.4906 93 T 4.1175 7.8732 117.1366 65.9597 67.9308 174.5562 94 G 3.9074 9.2093 115.2657 44.9955 0.0000 172.2754 95 A 4.6525 7.6606 122.2211 50.6277 20.9765 176.7676 96 S 4.7523 8.3278 113.6945 57.0579 66.1443 175.1954 97 G 3.6940 8.3296 109.7148 47.0906 0.0000 174.3803 98 N 4.4333 8.6659 119.8185 53.2972 38.1622 175.1658 99 N 5.0641 7.8314 117.1621 53.1364 39.2719 173.5342 100 F 5.3979 8.6326 116.9062 56.0406 43.0405 174.6755 101 V 5.0423 8.7840 114.5404 59.6689 35.7120 175.3056 102 E 4.2389 8.4982 121.6710 56.2296 30.2088 177.5704 103 C 4.6815 8.6573 120.2270 56.9298 41.5162 174.2237 104 T 4.1124 8.5091 117.1358 64.0430 68.0900 174.9613 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 1 A 8.26 4.33 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 2 C 8.44 4.97 0.00 2.97 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 3 D 9.54 4.29 0.00 2.81 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 4 Y 7.84 4.74 0.00 3.07 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 5 T 8.70 4.98 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 1.23 0.00 0.00 6 C 9.10 5.02 0.00 3.25 3.26 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 7 G 8.16 3.65 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 0.00 0.00 0.00 8 S 8.74 4.52 0.00 3.95 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 9 N 8.01 4.26 0.00 2.73 2.08 0.00 0.00 6.31 6.96 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 10 C 8.12 5.20 0.00 2.83 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 11 Y 9.23 5.39 0.00 3.04 2.81 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 12 S 9.52 5.02 0.00 3.99 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 13 S 9.56 4.35 0.00 3.89 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 14 S 8.05 4.16 0.00 3.90 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 15 D 8.00 4.39 0.00 3.00 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 16 V 7.82 3.43 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 0.83 0.00 0.00 0.62 0.00 0.00 17 S 8.23 4.05 0.00 4.03 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 18 T 7.89 3.79 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 1.23 0.00 0.00 19 A 7.87 4.17 1.44 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 0.00 0.00 0.00 20 Q 8.12 3.61 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 21 A 8.25 3.78 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 22 A 7.49 3.78 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 23 G 6.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.38 3.77 0.00 2.18 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 25 Q 7.60 3.69 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 26 L 7.30 3.82 0.00 1.68 1.81 0.84 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.82 3.95 0.00 3.06 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.35 3.58 0.00 1.82 1.75 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 2.13 1.87 0.00 29 D 7.97 4.53 0.00 2.60 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 30 G 7.67 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 31 E 8.40 5.00 0.00 1.68 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 2.14 2.08 0.00 32 T 8.29 5.06 4.52 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 1.30 0.00 0.00 33 V 9.66 4.48 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 0.87 0.00 0.00 1.52 0.00 0.00 34 G 9.11 4.45 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 0.00 *35 S 8.45 4.21 0.00 3.64 3.79 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 0.00 0.00 0.00 0.00 36 N 8.19 4.37 0.00 2.59 2.64 0.00 0.00 6.87 7.57 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 37 S 7.67 3.77 0.00 3.98 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 38 Y 9.15 5.15 0.00 3.21 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 39 P 0.00 5.64 0.00 2.35 2.56 0.00 4.09 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 40 H 8.92 5.28 0.00 3.23 3.59 0.00 5.47 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 41 K 9.00 4.21 0.00 1.67 1.67 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.56 7.81 42 Y 8.54 4.62 0.00 2.88 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 *43 N 8.60 4.33 0.00 2.78 2.73 0.00 0.00 7.02 7.99 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 44 N 6.62 3.70 0.00 2.85 2.85 0.00 0.00 7.11 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 *46 E 8.62 3.94 0.00 1.20 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 2.46 2.31 0.00 47 G 7.18 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 0.00 0.00 0.00 48 F 8.18 4.38 0.00 2.24 2.35 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 *49 D 8.30 4.88 0.00 2.67 2.44 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 0.00 50 F 8.48 5.20 0.00 3.04 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 51 S 8.71 4.90 0.00 3.92 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 52 V 7.65 4.64 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 0.87 0.00 0.00 1.12 0.00 0.00 53 S 8.55 4.52 0.00 3.95 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 54 S 7.82 3.21 0.00 3.30 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 55 P 0.00 4.10 0.00 1.77 2.05 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 56 Y 7.89 5.12 0.00 2.96 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 9.01 5.08 0.00 1.49 2.47 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 0.00 58 E 9.51 5.17 0.00 1.77 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 2.37 2.30 0.00 59 W 8.92 5.31 0.00 3.77 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 60 P 0.00 4.24 0.00 0.69 1.20 0.00 2.20 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 61 I 7.90 4.30 1.59 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.61 0.34 0.00 0.00 62 L 8.27 4.77 0.00 1.92 1.59 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.77 4.43 0.00 3.96 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 64 S 8.04 4.15 0.00 4.03 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 65 G 8.25 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 66 D 7.40 4.56 0.00 2.69 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 67 V 8.12 4.01 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 1.01 0.00 0.00 1.01 0.00 0.00 68 Y 8.80 4.18 0.00 2.43 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 0.00 0.00 0.00 0.00 69 S 8.16 4.54 0.00 3.90 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 70 G 5.98 3.75 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 0.00 0.00 0.00 71 G 7.19 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 0.00 0.00 0.00 0.00 72 S 8.71 4.47 0.00 4.03 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 73 P 0.00 3.78 0.00 1.67 1.28 0.00 3.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 74 G 7.93 3.75 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 0.00 0.00 0.00 75 A 8.43 4.72 1.34 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 0.00 0.00 0.00 76 D 7.98 5.30 0.00 2.80 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 77 R 8.87 4.82 0.00 1.19 1.47 0.00 3.02 0.00 0.00 2.83 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 78 V 8.93 4.23 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 0.53 0.00 0.00 1.18 0.00 0.00 79 V 8.43 4.75 1.44 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 0.66 0.00 0.00 0.19 0.00 0.00 80 F 8.52 5.55 0.00 3.22 3.05 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 81 N 8.81 5.58 0.00 3.05 3.24 0.00 0.00 6.53 6.98 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 82 E 9.07 4.31 0.00 2.16 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 2.42 2.55 0.00 83 N 8.42 4.69 0.00 2.92 2.82 0.00 0.00 6.86 8.00 0.00 0.00 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 N 7.89 3.64 0.00 1.44 2.35 0.00 0.00 6.87 6.56 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 85 Q 8.00 4.60 0.00 2.29 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 86 L 8.48 4.31 0.00 1.53 1.55 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.69 3.99 0.29 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 88 G 6.10 3.82 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 0.00 0.00 0.00 89 V 7.54 4.75 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 0.95 0.00 0.00 0.00 0.00 0.00 90 I 8.56 5.03 1.76 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.21 0.57 0.00 0.00 91 T 8.99 5.30 4.35 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 1.33 0.00 0.00 92 H 9.47 4.58 0.00 3.21 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.87 4.12 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 1.24 0.00 0.00 94 G 9.21 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 95 A 7.66 4.65 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 96 S 8.33 4.75 0.00 3.99 3.98 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 97 G 8.33 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 0.00 0.00 0.00 98 N 8.67 4.43 0.00 2.78 2.89 0.00 0.00 5.89 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 99 N 7.83 5.06 0.00 3.07 2.83 0.00 0.00 6.94 8.14 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 0.00 100 F 8.63 5.40 0.00 3.36 3.05 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 0.00 101 V 8.78 5.04 2.19 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 0.90 0.00 0.00 1.04 0.00 0.00 102 E 8.50 4.24 0.00 1.60 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 1.47 1.47 0.00 103 C 8.66 4.68 0.00 3.06 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 0.00 104 T 8.51 4.11 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.