NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7487 8.1633 120.2779 55.3567 34.2568 173.8494 2 K 4.7221 8.9300 119.4625 53.9188 37.0563 173.6094 3 K 4.7601 9.9686 126.7893 55.3106 34.6976 174.8195 4 I 4.8165 9.1655 128.6122 59.5900 39.6711 174.0575 5 E 5.1291 9.3371 128.9615 54.3357 32.0734 174.2741 6 A 4.9539 8.9164 129.2242 50.0607 22.3526 174.6040 7 I 4.7930 8.3985 123.9422 59.6766 39.2379 175.0039 8 I 4.9224 8.7562 120.3998 58.3181 41.7122 174.9989 9 K 4.3496 8.1983 121.3522 55.4909 32.7902 176.4517 10 P 4.2273 0.0000 0.0000 65.9675 31.0629 178.9100 11 F 4.4131 8.2071 111.0911 59.2430 38.1520 176.5776 12 K 4.0212 7.2540 117.9511 56.6809 31.9003 178.2490 13 L 3.8758 7.6792 122.2341 58.4993 41.9645 178.6164 14 D 4.3387 8.0256 118.0284 57.3253 40.7222 178.5339 15 E 3.9345 8.0598 118.5993 59.4516 29.5833 179.4422 16 V 3.5267 7.8677 118.3086 65.6799 31.5882 177.9168 17 K 3.8936 8.2903 119.6924 59.6188 32.0499 178.5255 18 D 4.3165 8.2937 118.9323 57.3914 40.6541 178.5432 19 A 4.1695 8.2150 121.4385 55.2815 18.3142 179.7543 20 L 3.9417 8.0969 117.4891 57.8463 41.7016 179.7919 21 V 3.6041 7.8996 118.2452 65.9799 31.1968 177.8157 22 E 4.0293 8.1209 117.7618 59.1631 29.3491 178.4319 23 I 4.2828 7.2506 110.3256 60.8754 37.8709 176.4489 24 G 3.8931 7.7998 107.5598 45.7900 0.0000 173.9068 25 I 3.8765 7.5653 121.2073 60.8657 37.3514 176.6417 26 G 3.7333 8.8312 115.3001 48.0298 0.0000 173.4251 27 G 4.2386 7.5769 105.8929 44.7335 0.0000 171.2908 28 M 4.9311 8.0481 115.1740 54.4571 34.0055 173.9085 29 T 4.6759 8.8312 117.2203 61.7893 71.6767 173.2905 30 V 4.9570 8.4184 125.0899 61.4146 34.3529 174.6461 31 T 4.7377 8.7336 123.1401 61.6989 72.5824 172.8018 32 E 4.5652 8.7593 124.9405 56.2026 30.5679 176.2032 33 V 4.5803 8.5089 116.4653 59.8752 36.9130 174.0227 34 K 5.0132 8.1364 119.3371 55.3780 35.7964 176.2702 35 G 4.2570 9.2611 109.1846 45.9840 0.0000 172.2685 36 F 4.9440 8.1174 119.1417 56.6905 41.9340 174.9754 *54 D 4.2779 8.5526 118.5975 53.8275 41.5694 174.3361 55 F 5.1668 8.6030 120.1854 56.7511 40.3005 175.3637 56 L 5.0779 8.9284 125.9198 52.0142 44.5968 174.2539 57 P 4.8910 0.0000 0.0000 63.1691 32.4439 175.3422 58 K 4.8197 9.1953 121.1003 55.0557 37.7038 174.8461 59 V 4.7442 8.9476 120.4797 61.1291 34.6370 173.8722 60 K 4.9201 9.0657 129.4585 54.9089 34.1106 174.7078 61 I 4.9575 8.9101 128.3846 59.5720 40.1807 174.4211 62 E 5.1960 9.2363 125.4065 54.7475 33.0479 175.3710 63 V 4.7595 8.7640 116.3284 59.5368 36.5402 174.4991 64 V 4.7876 8.3839 122.4350 61.3923 33.8328 174.8670 65 V 4.6640 8.7907 119.9348 59.3117 36.7504 175.1955 66 R 4.3259 8.4413 120.0588 56.1147 30.4252 177.6737 67 D 4.4069 8.9595 121.2816 57.8615 40.5914 179.1161 68 E 4.1340 8.1331 115.2658 58.2030 30.3176 177.4713 69 D 4.6993 8.1260 119.3963 54.3657 41.4166 178.1913 70 V 3.5736 7.3744 119.6341 66.2859 31.4463 177.5423 71 E 3.9417 8.1699 117.5082 59.3762 29.3414 179.2048 72 K 3.9024 7.9847 119.0677 59.4272 32.3360 178.8833 73 V 3.5611 7.6736 118.0997 65.8916 31.3867 178.1398 74 V 3.5612 8.0648 118.3000 66.0389 31.3376 177.7504 75 E 3.9348 8.3743 118.4350 59.8257 29.3563 179.5024 76 T 3.8650 7.9772 115.5807 66.7174 68.4571 176.8040 77 I 3.6774 7.8364 121.6412 64.1982 37.2194 178.6388 78 V 3.5247 7.9573 119.2224 66.0434 31.1864 178.1062 79 K 3.9381 8.1229 117.1101 59.9478 31.9586 179.1141 80 T 4.0728 7.8734 114.5746 65.7621 68.6127 176.1429 81 A 4.3568 7.8801 120.3379 51.3929 19.7575 177.0792 82 Q 4.2300 7.4735 119.4679 56.1204 29.4749 175.6897 83 T 4.4604 10.1060 114.9442 60.9614 70.5462 175.1700 84 G 3.9599 8.8146 110.0789 45.1593 0.0000 173.6347 85 R 4.4295 7.0754 118.1405 54.3977 31.5707 176.3582 86 V 3.6291 7.9787 119.1385 64.5095 31.3126 176.1458 87 G 4.0156 8.9353 113.2782 45.7910 0.0000 175.0077 88 D 4.3554 7.9156 120.3663 55.6311 41.0010 175.5019 89 G 4.2040 7.6111 103.1399 44.9165 0.0000 172.1977 90 K 4.6516 8.0235 115.6148 54.7260 37.0162 175.6146 91 I 4.6000 7.9680 121.3865 59.5025 40.2093 174.9821 92 F 5.2217 9.2888 126.0786 55.7746 42.0133 174.3612 93 I 4.8696 8.5600 123.5849 59.7649 38.9144 175.0131 94 I 4.7616 8.7235 128.3064 58.4811 40.6329 173.4399 95 P 4.7068 0.0000 0.0000 62.7728 32.2750 175.6104 96 V 4.4062 8.0221 122.1607 61.4301 32.9836 175.3783 97 E 4.2292 9.0026 126.9599 57.9387 30.1091 175.8273 98 D 4.4546 7.2403 114.5104 53.3325 44.0011 174.5718 99 V 4.5673 7.8756 122.9970 61.1378 35.1239 174.0267 100 I 4.9568 8.2868 126.9030 59.4801 40.5282 174.7262 101 R 4.2265 9.2422 128.2102 55.2704 30.3662 177.0772 102 I 3.6387 8.5954 128.3535 64.4579 37.5058 177.4995 103 R 4.0439 8.1792 119.4008 58.7608 29.9503 176.8879 104 T 4.3407 8.0251 105.0647 60.7532 70.5493 175.2121 105 G 3.9534 8.8786 110.0432 44.9644 0.0000 173.6131 106 E 4.0845 7.9575 119.8243 56.5548 30.0742 176.1728 107 R 5.0631 8.0419 119.4223 54.3705 35.1500 176.5570 108 G 3.8350 8.6733 107.7810 46.4311 0.0000 176.0906 109 E 3.9789 8.9544 118.9161 59.7624 29.4830 179.1429 110 Q 4.0807 7.8542 115.8418 57.6530 28.8038 176.5758 111 A 4.4781 8.3016 119.6447 50.8270 19.9652 176.6083 112 I 3.5512 7.3851 114.6562 61.1788 39.0146 173.4198 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 M 8.16 4.75 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.93 4.72 0.00 1.61 1.63 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.60 7.81 3 K 9.97 4.76 0.00 1.80 1.68 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 I 9.17 4.82 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 1.12 0.87 0.89 0.00 0.00 5 E 9.34 5.13 0.00 2.05 1.91 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 2.24 2.25 0.00 6 A 8.92 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.40 4.79 1.74 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 0.99 1.18 0.86 0.00 0.00 8 I 8.76 4.92 1.72 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 1.32 0.94 0.81 0.00 0.00 9 K 8.20 4.35 0.00 1.38 1.61 0.00 1.72 0.00 0.00 2.09 0.00 0.00 3.02 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.56 1.49 7.81 10 P 0.00 4.23 0.00 2.23 2.15 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 11 F 8.21 4.41 0.00 3.16 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 12 K 7.25 4.02 0.00 1.61 1.64 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.30 1.15 7.81 13 L 7.68 3.88 0.00 1.77 1.71 0.89 1.28 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 14 D 8.03 4.34 0.00 2.82 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 15 E 8.06 3.93 0.00 2.11 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 2.42 2.39 0.00 16 V 7.87 3.53 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 0.95 0.00 0.00 0.88 0.00 0.00 17 K 8.29 3.89 0.00 1.86 1.97 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.62 7.81 18 D 8.29 4.32 0.00 2.89 2.69 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 19 A 8.21 4.17 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 20 L 8.10 3.94 0.00 1.83 1.71 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.90 3.60 2.22 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 1.03 0.00 0.00 0.94 0.00 0.00 22 E 8.12 4.03 0.00 2.23 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 0.00 2.34 2.48 0.00 23 I 7.25 4.28 1.86 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 1.65 0.66 0.95 0.00 0.00 24 G 7.80 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 25 I 7.57 3.88 1.97 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 1.37 0.84 0.94 0.00 0.00 26 G 8.83 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 27 G 7.58 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 0.00 0.00 0.00 0.00 28 M 8.05 4.93 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 29 T 8.83 4.68 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 30 V 8.42 4.96 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 0.80 0.00 0.00 0.91 0.00 0.00 31 T 8.73 4.74 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 1.19 0.00 0.00 32 E 8.76 4.57 0.00 1.84 1.87 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 2.29 2.33 0.00 33 V 8.51 4.58 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 0.73 0.00 0.00 0.94 0.00 0.00 34 K 8.14 5.01 0.00 1.27 1.50 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.70 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.35 7.81 35 G 9.26 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 0.00 0.00 0.00 0.00 36 F 8.12 4.94 0.00 3.01 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 *54 D 8.55 4.28 0.00 2.71 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 55 F 8.60 5.17 0.00 3.16 2.94 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 56 L 8.93 5.08 0.00 1.67 1.63 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.89 0.00 2.10 2.08 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 58 K 9.20 4.82 0.00 1.60 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.52 7.81 59 V 8.95 4.74 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 0.72 0.00 0.00 0.91 0.00 0.00 60 K 9.07 4.92 0.00 1.81 1.62 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.37 7.81 61 I 8.91 4.96 1.82 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 1.19 0.57 0.88 0.00 0.00 62 E 9.24 5.20 0.00 1.84 1.79 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 2.22 2.25 0.00 63 V 8.76 4.76 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 0.80 0.00 0.00 0.92 0.00 0.00 64 V 8.38 4.79 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 0.82 0.00 0.00 0.93 0.00 0.00 65 V 8.79 4.66 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 0.71 0.00 0.00 0.93 0.00 0.00 66 R 8.44 4.33 0.00 2.01 2.00 0.00 3.15 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 67 D 8.96 4.41 0.00 2.71 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 68 E 8.13 4.13 0.00 2.12 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 2.27 2.34 0.00 69 D 8.13 4.70 0.00 2.81 2.72 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 70 V 7.37 3.57 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 1.13 0.00 0.00 1.02 0.00 0.00 71 E 8.17 3.94 0.00 2.01 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 2.40 2.32 0.00 72 K 7.98 3.90 0.00 1.86 1.94 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.55 7.81 73 V 7.67 3.56 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 0.92 0.00 0.00 0.96 0.00 0.00 74 V 8.06 3.56 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 1.04 0.00 0.00 0.99 0.00 0.00 75 E 8.37 3.93 0.00 2.19 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 2.32 2.55 0.00 76 T 7.98 3.86 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 1.24 0.00 0.00 77 I 7.84 3.68 1.94 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 1.36 0.70 0.84 0.00 0.00 78 V 7.96 3.52 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 1.02 0.00 0.00 0.96 0.00 0.00 79 K 8.12 3.94 0.00 1.90 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.60 7.81 80 T 7.87 4.07 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 1.22 0.00 0.00 81 A 7.88 4.36 1.18 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 0.00 0.00 82 Q 7.47 4.23 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 83 T 10.11 4.46 4.33 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 1.35 0.00 0.00 84 G 8.81 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 0.00 0.00 0.00 85 R 7.08 4.43 0.00 1.81 1.91 0.00 3.36 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 86 V 7.98 3.63 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 0.81 0.00 0.00 0.95 0.00 0.00 87 G 8.94 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 88 D 7.92 4.36 0.00 2.67 2.72 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 89 G 7.61 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 0.00 0.00 0.00 0.00 90 K 8.02 4.65 0.00 1.18 1.39 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 91 I 7.97 4.60 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.47 0.85 0.00 0.00 92 F 9.29 5.22 0.00 2.91 2.79 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 93 I 8.56 4.87 1.91 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 1.39 0.87 0.93 0.00 0.00 94 I 8.72 4.76 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.92 0.00 0.00 95 P 0.00 4.71 0.00 2.07 2.05 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.02 4.41 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 0.82 0.00 0.00 0.97 0.00 0.00 97 E 9.00 4.23 0.00 1.99 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 2.29 2.29 0.00 98 D 7.24 4.45 0.00 2.55 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 99 V 7.88 4.57 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 0.96 0.00 0.00 0.93 0.00 0.00 100 I 8.29 4.96 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 1.23 0.66 0.91 0.00 0.00 101 R 9.24 4.23 0.00 1.84 1.81 0.00 3.15 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 102 I 8.60 3.64 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 1.30 0.65 0.91 0.00 0.00 103 R 8.18 4.04 0.00 1.76 1.96 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 104 T 8.03 4.34 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 1.25 0.00 0.00 105 G 8.88 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 0.00 106 E 7.96 4.08 0.00 2.06 1.88 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 2.33 2.29 0.00 107 R 8.04 5.06 0.00 1.81 1.86 0.00 3.27 0.00 0.00 3.51 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 108 G 8.67 3.84 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 0.00 0.00 0.00 109 E 8.95 3.98 0.00 2.08 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 2.41 2.42 0.00 110 Q 7.85 4.08 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 111 A 8.30 4.48 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 0.00 112 I 7.39 3.55 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 1.15 0.51 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.