NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6267 8.3649 120.5359 53.9964 42.3252 174.0147 2 I 4.0381 8.1699 121.2058 60.1172 37.9700 170.6046 3 V 4.2802 10.0146 129.1575 61.8408 33.7454 173.9315 4 M 5.1389 8.6989 127.0723 53.9820 34.1432 175.1994 5 T 4.6520 9.1203 121.0350 61.9677 71.4793 173.5629 6 Q 5.2299 8.6683 125.2190 55.1363 31.7372 174.7070 7 S 5.0052 8.6029 114.8352 56.9484 66.4317 172.9162 8 P 4.9025 0.0000 0.0000 61.9172 32.8630 175.7520 9 D 4.7304 8.6218 117.7366 57.3948 41.6252 176.7065 10 S 5.2833 7.8593 109.9637 57.6103 66.0947 173.7484 11 L 4.6567 9.1413 119.5604 54.6601 43.9075 173.7884 12 A 5.1634 8.5792 123.0245 50.4222 20.8338 176.0883 13 V 4.5015 8.5587 121.8659 61.2318 35.7867 174.5768 14 S 5.0248 8.3517 120.1111 56.5955 65.2202 173.9713 15 L 4.2270 8.4003 122.2488 56.5193 42.0684 178.0103 16 G 3.9723 9.0819 110.6385 45.6615 0.0000 173.5800 17 E 4.6995 7.6739 119.1634 55.5822 31.9761 174.8720 18 R 4.9417 8.3454 120.2661 54.8856 31.8085 174.9279 19 A 4.6491 8.8184 128.6762 50.5975 21.3286 175.5839 20 T 4.7756 8.4140 118.6455 61.8037 71.3566 173.4196 21 I 4.5485 8.5539 127.8714 59.5414 40.1555 174.8678 22 N 5.5983 9.2161 124.0565 52.3476 41.8317 173.3606 23 C 5.5050 9.0433 120.4138 55.7176 45.6698 172.7449 24 K 6.0800 9.4569 125.5013 54.2717 34.7139 175.2846 25 S 5.3307 8.6626 117.3544 56.8586 65.0054 175.1491 26 S 4.5473 9.0887 117.6466 60.9557 63.1841 174.2905 27 Q 4.5662 7.5955 117.2103 53.7992 31.4982 174.4283 27A S 4.2935 8.6352 113.7690 59.7332 62.7469 174.3102 27B V 3.1268 8.4786 119.0280 60.5993 33.0515 174.6091 27C L 4.6538 7.2722 123.9927 54.3822 42.5864 176.0308 27D Y 4.7733 9.6132 132.3068 58.1509 38.8054 176.6976 27E S 4.0213 9.3820 126.4978 62.1239 62.0380 173.6610 27F S 3.9242 6.9770 115.6554 60.7638 61.8062 176.7212 28 N 4.4899 7.2078 115.4081 52.1888 37.9168 176.1796 29 S 4.0709 8.1517 114.0303 59.4001 61.3047 171.2000 30 K 4.3963 7.3560 120.1045 55.2695 33.9091 175.4192 31 N 5.1716 8.7054 121.6873 52.3998 40.2581 175.1161 32 Y 3.8958 8.8722 124.7705 56.4650 36.2986 174.0211 33 L 4.8797 7.2649 121.9204 52.9018 46.1470 175.3067 34 A 5.2835 8.9425 126.7377 49.8879 23.0730 174.6150 35 W 5.2559 9.2233 118.9848 55.1472 32.7483 174.4972 36 Y 5.2901 9.9096 121.6791 56.2290 41.5525 174.3154 37 Q 4.4481 9.4097 123.4043 54.4085 32.0290 173.9997 38 Q 4.9203 8.8106 128.8574 53.8129 30.3985 174.7726 39 K 4.4393 8.3317 124.8963 54.9552 33.9031 174.5954 40 P 4.2901 0.0000 0.0000 64.4703 31.4365 176.5054 41 G 3.9538 8.9865 110.4363 46.2783 0.0000 172.6053 42 Q 4.6957 7.8988 117.0465 52.5250 32.2666 173.6595 43 P 4.4875 0.0000 0.0000 61.8159 32.1453 174.4598 44 P 4.5755 0.0000 0.0000 62.7331 32.4193 175.9106 45 K 4.6124 9.0523 123.0933 54.3164 35.3304 175.0660 46 L 3.9889 8.8874 130.2080 55.7005 42.0502 175.8761 47 L 4.5014 9.1027 126.6837 56.2038 43.9727 176.8458 48 I 5.1501 7.4883 117.9362 59.8701 41.9250 173.8284 49 Y 5.0909 8.1027 123.4097 54.6919 42.3084 174.9308 50 W 4.6863 9.9816 114.5023 56.8200 27.2246 177.7617 51 A 4.0329 8.7490 123.2748 53.5463 17.8973 179.7866 52 S 4.6447 8.4552 105.1178 58.3728 65.8786 173.8513 53 T 4.2397 8.1772 120.3328 62.8679 69.2253 174.5642 54 R 4.5580 8.3767 125.8369 55.7880 31.3156 176.5302 55 E 4.3860 9.0208 122.2746 55.7965 30.9961 176.6135 56 S 4.2669 8.1822 116.6467 59.9959 62.8959 174.5912 57 G 4.0006 8.8869 115.1374 45.3437 0.0000 173.7862 58 V 3.7117 7.2770 119.9356 61.7585 32.1222 174.2212 59 P 4.5809 0.0000 0.0000 62.3584 31.8798 177.1503 60 D 4.5667 8.5876 120.0480 56.8019 41.0868 178.1636 61 R 3.9553 8.0087 115.8225 58.3510 30.7431 176.1840 62 F 4.7111 7.9733 118.6881 56.3085 39.7989 175.4989 63 S 4.5712 9.1813 119.7961 56.3607 64.9768 173.1309 64 G 4.4803 8.7425 114.5482 45.6218 0.0000 172.2949 65 S 4.6673 9.2371 115.8462 57.4912 67.0505 173.5762 66 G 4.0379 10.1605 105.9591 45.5479 0.0000 172.3294 67 S 4.5839 8.3768 110.6923 58.1706 65.0316 172.2827 68 G 4.1046 9.3717 114.4750 45.7170 0.0000 174.8627 69 T 4.6445 7.0791 113.8551 60.5030 72.5791 172.5945 70 D 4.9975 7.3847 121.6634 52.3187 43.2881 175.1962 71 F 5.6038 8.9923 123.4550 56.4046 44.1516 173.9617 72 T 5.2974 9.4309 117.7572 62.2661 73.1513 172.4263 73 L 4.5520 8.3714 128.5045 53.4509 44.1869 175.0447 74 T 4.7577 8.7221 122.7357 61.7707 71.9871 172.8405 75 I 4.3770 8.4494 128.2039 59.6488 38.9983 175.7262 76 S 4.5017 8.4642 123.7349 56.6887 64.4490 174.6759 77 S 3.8742 8.1821 114.2386 57.6900 60.0200 172.8839 78 L 3.9623 7.9786 120.2122 55.6727 42.7534 177.5000 79 Q 4.8776 8.8126 120.6427 53.5212 32.7209 176.2041 80 A 3.9502 9.0068 125.8445 56.3960 18.2299 180.4553 81 E 4.2609 8.2070 108.3344 57.8646 29.7195 178.8716 82 D 4.9107 8.3207 117.0299 55.8465 41.5060 176.9379 83 V 3.9647 7.7492 120.3430 63.2722 32.0207 175.0303 84 A 4.3161 8.0704 127.6840 52.0254 23.7150 174.3171 85 V 4.5730 7.8112 118.7671 61.5922 33.8496 174.0419 86 Y 5.1692 8.9044 125.6133 56.5867 40.4189 174.3107 87 Y 6.2700 9.5678 121.0047 55.5277 41.9528 172.2801 88 C 4.8447 9.0694 116.6885 53.8250 44.5307 172.3882 89 Q 4.9145 8.4210 121.3896 54.7708 32.3607 173.1352 90 Q 4.7432 8.7972 125.4440 54.9127 30.5916 175.6512 91 Y 3.9573 8.0613 122.7560 56.9070 37.8987 176.8755 92 Y 3.9894 8.6755 123.5286 60.8895 39.1854 175.5408 93 S 4.7108 7.9198 110.9214 56.4683 66.2473 173.2767 94 T 4.1971 8.3933 118.9448 62.5167 69.0374 173.0229 95 P 4.3837 0.0000 0.0000 62.1306 32.5290 175.3513 96 Y 4.9009 8.1528 119.0005 58.3611 38.5145 175.1636 97 S 4.9784 8.6963 119.1573 56.8460 65.7318 173.6350 98 F 4.9734 9.0027 120.7482 56.3844 41.2514 175.2297 99 G 4.2125 8.6745 108.3466 44.9913 0.0000 174.6404 100 Q 4.2505 8.8328 117.3252 56.7238 28.9448 177.8621 101 G 3.6935 8.6305 102.9715 45.5762 0.0000 173.3485 102 T 4.7412 8.2778 115.1021 61.4332 72.4376 173.3519 103 K 4.4419 9.3690 130.0572 55.8581 33.1064 175.1271 104 L 5.1940 9.1788 132.8851 54.1089 44.1949 175.5930 105 E 4.8542 9.0782 123.4225 54.6970 34.3362 171.4098 106 I 4.6946 8.4315 122.8558 61.6071 38.6287 176.9238 *107 K 4.2916 9.0093 128.9885 55.3666 32.1808 174.3591 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 D 8.36 4.63 0.00 2.72 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 2 I 8.17 4.04 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.96 0.00 0.00 3 V 10.01 4.28 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 1.06 0.00 0.00 0.97 0.00 0.00 4 M 8.70 5.14 0.00 1.93 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 5 T 9.12 4.65 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 1.27 0.00 0.00 6 Q 8.67 5.23 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 7 S 8.60 5.01 0.00 3.96 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 8 P 0.00 4.90 0.00 2.39 2.08 0.00 3.86 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 2.01 2.00 0.00 9 D 8.62 4.73 0.00 2.66 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 10 S 7.86 5.28 0.00 3.91 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 11 L 9.14 4.66 0.00 1.67 1.76 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.58 5.16 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 13 V 8.56 4.50 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 0.93 0.00 0.00 0.90 0.00 0.00 14 S 8.35 5.02 0.00 3.80 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 15 L 8.40 4.23 0.00 1.62 1.61 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.08 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 17 E 7.67 4.70 0.00 2.05 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 2.41 2.37 0.00 18 R 8.35 4.94 0.00 1.72 1.73 0.00 3.15 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 19 A 8.82 4.65 1.07 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 0.00 0.00 20 T 8.41 4.78 4.19 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 1.17 0.00 0.00 21 I 8.55 4.55 1.58 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.55 1.13 0.00 0.00 22 N 9.22 5.60 0.00 2.80 2.81 0.00 0.00 6.13 7.34 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 23 C 9.04 5.51 0.00 3.14 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 24 K 9.46 6.08 0.00 1.96 1.90 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.24 7.81 25 S 8.66 5.33 0.00 4.01 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 26 S 9.09 4.55 0.00 3.90 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 27 Q 7.60 4.57 0.00 2.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 27A S 8.64 4.29 0.00 3.81 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 27B V 8.48 3.13 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 0.65 0.00 0.00 0.89 0.00 0.00 27C L 7.27 4.65 0.00 1.83 1.56 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27D Y 9.61 4.77 0.00 3.21 3.18 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 27E S 9.38 4.02 0.00 3.66 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 27F S 6.98 3.92 0.00 3.62 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 28 N 7.21 4.49 0.00 2.77 3.00 0.00 0.00 6.04 7.64 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 29 S 8.15 4.07 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 30 K 7.36 4.40 0.00 1.21 0.80 0.00 0.85 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.83 1.16 7.81 31 N 8.71 5.17 0.00 2.81 2.90 0.00 0.00 7.12 7.48 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 32 Y 8.87 3.90 0.00 2.92 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 33 L 7.26 4.88 0.00 0.88 0.88 0.24 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.94 5.28 1.06 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 0.00 0.00 35 W 9.22 5.26 0.00 3.24 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 36 Y 9.91 5.29 0.00 3.23 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 37 Q 9.41 4.45 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.05 1.76 0.00 38 Q 8.81 4.92 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 39 K 8.33 4.44 0.00 1.88 1.71 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.45 7.81 40 P 0.00 4.29 0.00 2.04 2.05 0.00 3.81 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 2.05 2.12 0.00 41 G 8.99 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 0.00 0.00 0.00 42 Q 7.90 4.70 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 43 P 0.00 4.49 0.00 2.17 2.03 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 1.99 1.98 0.00 44 P 0.00 4.58 0.00 1.92 2.01 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 45 K 9.05 4.61 0.00 1.82 1.77 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.37 7.81 46 L 8.89 3.99 0.00 1.53 1.51 0.38 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 47 L 9.10 4.50 0.00 1.77 1.59 0.65 0.13 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 48 I 7.49 5.15 2.08 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 1.38 0.59 1.04 0.00 0.00 49 Y 8.10 5.09 0.00 2.58 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 50 W 9.98 4.69 0.00 3.47 3.10 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 51 A 8.75 4.03 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 52 S 8.46 4.64 0.00 3.99 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 53 T 8.18 4.24 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 0.88 0.00 0.00 54 R 8.38 4.56 0.00 1.66 1.83 0.00 3.21 0.00 0.00 3.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 55 E 9.02 4.39 0.00 2.03 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 2.46 2.54 0.00 56 S 8.18 4.27 0.00 3.86 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 57 G 8.89 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 0.00 0.00 0.00 58 V 7.28 3.71 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 0.75 0.00 0.00 0.94 0.00 0.00 59 P 0.00 4.58 0.00 2.41 2.03 0.00 3.87 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 60 D 8.59 4.57 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 61 R 8.01 3.96 0.00 1.81 2.09 0.00 2.99 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.02 0.00 62 F 7.97 4.71 0.00 3.10 2.99 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 0.00 0.00 0.00 63 S 9.18 4.57 0.00 3.78 3.60 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 64 G 8.74 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 65 S 9.24 4.67 0.00 3.93 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 66 G 10.16 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 0.00 0.00 0.00 67 S 8.38 4.58 0.00 3.85 3.58 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 68 G 9.37 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 69 T 7.08 4.64 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 1.28 0.00 0.00 70 D 7.38 5.00 0.00 2.51 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.99 5.60 0.00 3.39 3.18 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 72 T 9.43 5.30 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 1.22 0.00 0.00 73 L 8.37 4.55 0.00 0.27 0.19 0.66 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.72 4.76 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 1.09 0.00 0.00 75 I 8.45 4.38 1.51 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.33 0.02 0.00 0.00 76 S 8.46 4.50 0.00 3.62 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 77 S 8.18 3.87 0.00 3.85 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 78 L 7.98 3.96 0.00 1.75 1.60 0.90 0.79 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 79 Q 8.81 4.88 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 80 A 9.01 3.95 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 81 E 8.21 4.26 0.00 2.00 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 2.23 1.91 0.00 82 D 8.32 4.91 0.00 2.82 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 83 V 7.75 3.96 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 0.78 0.00 0.00 1.04 0.00 0.00 84 A 8.07 4.32 0.97 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 85 V 7.81 4.57 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 0.57 0.00 0.00 0.90 0.00 0.00 86 Y 8.90 5.17 0.00 3.03 3.13 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 0.00 0.00 0.00 87 Y 9.57 6.27 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 88 C 9.07 4.84 0.00 1.72 1.52 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 0.00 89 Q 8.42 4.91 0.00 1.23 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.03 1.58 0.00 90 Q 8.80 4.74 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 91 Y 8.06 3.96 0.00 1.70 2.37 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 92 Y 8.68 3.99 0.00 2.72 3.11 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 0.00 0.00 0.00 93 S 7.92 4.71 0.00 3.92 3.58 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 94 T 8.39 4.20 4.18 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 1.05 0.00 0.00 95 P 0.00 4.38 0.00 2.17 1.99 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 96 Y 8.15 4.90 0.00 2.90 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 97 S 8.70 4.98 0.00 3.95 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 98 F 9.00 4.97 0.00 2.78 2.96 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 99 G 8.67 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 0.00 0.00 0.00 0.00 100 Q 8.83 4.25 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 101 G 8.63 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 0.00 102 T 8.28 4.74 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 1.30 0.00 0.00 103 K 9.37 4.44 0.00 1.81 1.71 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.40 7.81 104 L 9.18 5.19 0.00 1.94 1.89 0.85 0.82 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 0.00 105 E 9.08 4.85 0.00 1.65 1.74 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 2.12 2.12 0.00 106 I 8.43 4.69 1.89 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 1.23 1.27 0.92 0.00 0.00 *107 K 9.01 4.29 0.00 1.44 1.50 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.