NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.2169 0.0000 0.0000 62.5908 33.8886 178.3122 5 S 3.9448 7.9662 112.2073 61.1607 62.2269 174.3684 6 M 4.0684 8.8351 122.2336 58.5529 32.0599 177.9647 7 E 3.9240 8.1063 118.1041 59.5291 29.6729 179.0168 8 D 4.3702 8.1293 118.9605 57.4574 40.8512 178.5036 9 Y 3.8519 8.2744 117.2091 61.1047 37.9345 178.4721 10 I 3.7561 8.0307 120.8913 64.3454 37.2331 178.0581 11 E 3.9439 8.4366 120.2861 59.4130 29.5170 178.6633 12 Q 3.9689 8.2265 119.5429 59.2533 29.0881 178.3013 13 I 3.7612 8.3363 121.3053 64.4821 37.1573 177.7454 14 Y 4.0210 8.2628 120.4149 60.9524 38.5361 178.1380 15 M 4.0797 8.1904 119.4943 58.3199 32.0706 178.6379 16 L 3.8824 7.9232 119.0365 57.9439 41.7975 179.7157 17 I 3.6431 7.7337 119.5818 64.3729 36.7983 178.1777 18 E 3.7220 7.7855 119.0231 58.7477 29.4304 178.1001 19 E 4.0584 8.1198 118.7257 58.5983 30.0718 177.8304 20 K 4.0901 8.2237 116.3840 56.1181 32.9136 177.7534 21 G 3.9717 8.9942 106.5881 44.9056 0.0000 172.1882 22 Y 4.8204 6.2668 114.9535 56.1883 40.7018 173.8211 23 A 4.6581 8.5155 120.4716 50.4681 21.9912 175.5747 24 R 4.4996 8.6467 121.0992 55.5746 32.1901 178.2207 25 V 3.5852 8.5190 121.1191 66.3257 31.5436 178.5428 26 S 4.1249 8.0629 113.4064 61.7470 62.6933 176.1167 27 D 4.3779 8.0701 122.0021 56.8694 40.5661 178.6199 28 I 3.6266 8.0002 120.1822 64.3442 37.1203 178.1034 29 A 3.9784 8.2523 121.8397 55.2453 18.0584 179.2354 30 E 3.8153 8.2973 117.3255 59.5585 29.5549 179.0351 31 A 3.9921 8.1035 119.4755 54.2935 18.5057 178.5392 32 L 4.2460 7.8743 114.5833 53.2709 43.0523 176.0567 33 A 3.7057 7.5753 121.1304 53.4324 16.2427 176.1579 34 V 4.5899 7.8673 112.9616 59.7964 36.6458 175.4901 35 H 4.5242 8.5408 120.2173 55.0409 30.4330 174.2110 36 P 4.3771 0.0000 0.0000 65.7258 30.8540 178.7988 37 S 4.1330 8.1478 113.0677 61.6273 62.4736 175.9994 38 S 4.2242 8.1382 117.4847 61.4370 62.5050 176.9837 39 V 3.8104 7.7260 120.6842 66.3688 31.5034 178.1201 40 T 4.1669 8.3160 115.8164 66.2741 68.3113 176.7021 41 K 3.9118 8.1545 121.6918 59.7763 32.3608 178.6015 42 M 3.8161 7.7835 118.4804 58.4575 32.0014 178.2590 43 V 3.5957 8.2358 118.7056 66.2448 31.7421 177.9938 44 Q 4.2607 8.2924 117.7406 58.8171 28.4433 178.9556 45 K 3.9810 7.9312 120.4569 59.5813 32.3030 179.0356 46 L 4.2362 8.4967 119.6678 57.7350 41.5955 179.0484 47 D 5.0600 8.6960 120.0715 56.7782 40.9705 178.2179 48 K 4.0203 7.9777 119.2858 59.3880 32.3518 177.7992 49 D 4.5312 8.1882 116.1880 54.0246 41.0030 176.1410 50 E 3.7862 7.7350 117.6942 57.7661 27.2464 175.1412 51 Y 4.3074 8.3818 118.8737 59.5831 38.8279 175.1694 52 L 5.0107 7.4003 118.5251 55.0532 42.8223 173.0786 53 I 4.9030 8.4101 112.0336 58.9579 39.2090 174.7209 54 Y 4.2863 9.6667 127.5406 57.5946 38.0640 176.2140 *59 G 3.9136 8.0010 116.8519 44.6956 0.0000 173.4218 60 L 4.3909 6.9153 125.7754 54.1889 42.5292 174.5992 61 V 4.5068 8.1293 126.4077 60.9012 34.1505 174.7435 62 L 4.8023 8.6409 127.9251 54.8112 42.6443 177.0916 63 T 4.4066 8.7211 113.7733 60.4035 70.4642 175.8429 64 S 4.1468 8.5928 116.2186 61.4243 62.5878 176.4787 65 K 4.0574 8.0868 122.8607 59.4426 32.0640 178.9628 66 G 3.8848 8.1248 105.8094 47.6667 0.0000 175.9371 67 K 4.2612 8.5949 121.1695 59.3344 32.1240 179.5981 68 K 3.9789 8.2727 118.7667 59.5411 31.9062 179.5724 69 I 3.8808 7.9682 120.1953 64.2647 37.0552 178.5392 70 G 3.5289 8.5440 106.9450 47.7302 0.0000 175.5601 71 K 3.1999 7.5563 122.2327 58.9677 32.1388 179.1094 72 R 4.0887 7.9362 118.3615 59.2717 29.9571 179.0969 73 L 3.9416 8.1912 119.1163 57.7723 41.6017 179.7306 74 V 3.6021 7.7103 118.2613 66.0250 31.3788 177.4366 75 Y 4.0568 8.2739 119.4842 60.6316 38.6818 177.9197 76 R 3.5788 8.3900 120.0262 59.5277 30.1207 177.8478 77 H 3.8674 8.2152 117.8920 59.1996 29.8711 176.6771 78 E 3.8917 8.2092 121.0152 59.1986 29.4128 178.3553 79 L 3.7705 7.7430 120.5432 58.3248 42.1233 179.0507 80 L 4.0748 7.8119 118.6513 57.7487 41.3769 179.4553 81 E 3.9409 8.1352 118.7111 59.4852 29.4170 179.3545 82 Q 3.9773 8.2755 118.2155 58.6940 28.8557 178.5559 83 F 4.2703 8.4411 121.7900 61.5373 39.5231 177.2915 84 L 3.3246 7.5976 118.3647 57.2694 41.4380 179.4988 85 R 3.7805 8.0979 118.9540 59.5900 29.8528 178.6784 86 I 3.6687 7.8785 118.7995 63.9402 37.1546 177.5588 87 I 3.8707 7.0415 110.7134 60.9831 37.7660 176.5308 88 G 3.8675 7.4286 108.7509 45.2197 0.0000 174.0931 89 V 3.5548 7.3213 119.7192 61.9847 32.2127 175.3838 90 D 4.2841 8.7315 125.7376 54.8516 41.5331 176.4277 91 E 3.9156 9.1353 126.7320 59.9028 29.2638 178.8225 92 E 4.0739 8.0178 116.0538 58.4733 29.5271 178.4799 93 K 4.3282 8.1841 117.6609 57.2069 32.5106 178.7523 94 I 3.6829 7.3934 121.0418 64.4690 36.9860 177.3513 95 Y 4.0289 8.0427 119.6002 61.0573 38.5323 177.8927 96 N 4.2778 8.2826 116.6764 56.2713 38.5446 177.1280 97 D 4.3610 7.7945 120.2056 57.2923 40.8871 178.8817 98 V 3.4425 7.7681 118.7906 66.0638 31.2846 177.8614 99 E 4.0404 7.4574 118.8546 58.2359 29.2001 178.9638 100 G 3.8277 7.2761 103.5686 46.6463 0.0000 175.5043 101 I 4.0978 7.9685 115.3666 62.5322 37.5872 177.6323 102 E 3.7601 8.1970 119.4455 59.7201 29.1351 178.7110 103 H 4.4662 7.8262 113.6968 57.2630 29.0902 175.3863 104 H 4.9009 8.2238 116.3378 55.1209 29.0727 173.3779 105 L 4.6658 7.6006 119.4602 52.5456 43.8538 177.3735 106 S 4.3869 8.3124 118.2248 57.8112 65.2700 175.3692 107 W 4.0783 8.7265 122.2024 59.6696 28.7138 178.2938 108 N 4.3636 8.3058 116.7920 56.9246 38.4689 176.9315 109 S 4.0824 7.8807 116.2564 61.5230 62.8665 176.6830 110 I 3.5873 7.8281 122.4599 64.6143 37.0136 178.2080 111 D 4.5071 8.7184 119.9832 57.5926 40.6392 179.1968 112 R 3.9947 8.2763 118.6459 59.2036 30.0674 179.1636 113 I 3.6848 8.2773 120.3157 63.9521 37.0679 178.6940 114 G 3.7119 8.1893 106.9878 47.9235 0.0000 175.5931 115 D 4.4747 8.0439 120.9165 56.7996 40.9351 178.5665 116 L 3.9823 7.9923 121.0926 58.2261 42.1367 179.2533 117 V 3.8732 8.0522 118.2276 66.0819 31.4548 177.7819 118 Q 4.0268 8.1263 119.1512 59.1484 28.6754 177.2519 119 Y 3.9705 8.2847 119.9887 61.1375 39.2311 178.2497 120 F 4.2617 8.2893 117.9192 60.3166 38.8315 177.7514 121 E 4.2180 8.3143 117.9978 58.8014 29.3644 178.3001 122 E 4.5043 8.0120 115.7383 56.7315 30.4941 176.4650 123 D 4.3106 7.5506 119.4221 52.1795 42.6157 174.7633 124 D 4.4025 8.7950 127.1665 57.0936 41.1181 177.6398 125 A 4.0710 8.2205 121.3959 55.1161 18.2793 179.8031 126 R 3.9936 8.1730 116.8852 59.2754 30.0745 179.2970 127 K 4.1340 8.1074 117.9714 59.4542 32.1257 179.3688 128 K 4.0180 8.1773 118.8283 59.6158 32.0889 179.2080 129 D 4.4485 8.2728 119.2586 57.0470 40.7091 178.5889 130 L 4.0638 8.0953 121.1255 58.1191 41.8954 179.1861 131 K 3.9889 8.0438 117.5056 59.3562 32.2189 179.1258 132 S 4.2935 8.1173 115.5097 61.8231 62.7281 176.8316 133 I 3.7242 7.6540 121.8713 64.5979 36.6294 178.5173 134 Q 3.9738 7.9028 117.6557 58.4731 28.5810 178.3135 135 K 4.2821 7.7018 117.3190 57.3368 32.7946 178.4020 136 K 4.1993 8.3817 119.4031 58.8076 31.9465 179.2983 137 T 3.7684 7.6097 115.0806 65.3595 68.8218 173.2649 138 E 4.3842 8.0011 125.0570 56.5818 30.3889 175.1499 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 4 P 0.00 4.22 0.00 2.05 1.83 0.00 3.53 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 1.97 1.98 0.00 5 S 7.97 3.94 0.00 4.00 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 6 M 8.84 4.07 0.00 1.98 2.05 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 2.66 2.58 0.00 7 E 8.11 3.92 0.00 2.25 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 2.37 2.38 0.00 8 D 8.13 4.37 0.00 2.92 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 9 Y 8.27 3.85 0.00 3.20 3.02 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 10 I 8.03 3.76 1.81 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.90 0.00 0.00 11 E 8.44 3.94 0.00 2.17 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 0.00 2.32 2.32 0.00 12 Q 8.23 3.97 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 13 I 8.34 3.76 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.97 0.00 0.00 14 Y 8.26 4.02 0.00 3.20 3.14 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 15 M 8.19 4.08 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.70 0.00 16 L 7.92 3.88 0.00 1.82 1.79 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.73 3.64 1.72 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 1.40 0.66 0.81 0.00 0.00 18 E 7.79 3.72 0.00 1.58 1.97 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 2.25 2.21 0.00 19 E 8.12 4.06 0.00 1.92 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 2.20 2.28 0.00 20 K 8.22 4.09 0.00 1.34 1.05 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.23 7.81 21 G 8.99 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 22 Y 6.27 4.82 0.00 2.92 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 23 A 8.52 4.66 1.25 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 0.00 0.00 0.00 24 R 8.65 4.50 0.00 1.84 1.87 0.00 3.14 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 25 V 8.52 3.59 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 1.21 0.00 0.00 0.87 0.00 0.00 26 S 8.06 4.12 0.00 4.09 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 27 D 8.07 4.38 0.00 2.93 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 28 I 8.00 3.63 2.09 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 1.48 0.84 0.94 0.00 0.00 29 A 8.25 3.98 1.40 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 0.00 0.00 0.00 30 E 8.30 3.82 0.00 2.17 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 0.00 2.30 2.36 0.00 31 A 8.10 3.99 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 32 L 7.87 4.25 0.00 1.49 1.50 -0.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.58 3.71 1.31 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 0.00 0.00 34 V 7.87 4.59 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 0.77 0.00 0.00 0.98 0.00 0.00 35 H 8.54 4.52 0.00 3.25 3.21 0.00 5.88 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.38 0.00 2.29 2.29 0.00 3.35 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 1.83 1.92 0.00 37 S 8.15 4.13 0.00 4.07 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 38 S 8.14 4.22 0.00 4.20 4.01 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 39 V 7.73 3.81 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 1.08 0.00 0.00 1.22 0.00 0.00 40 T 8.32 4.17 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 1.39 0.00 0.00 41 K 8.15 3.91 0.00 1.91 1.96 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 42 M 7.78 3.82 0.00 1.23 1.32 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.91 0.00 43 V 8.24 3.60 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 0.89 0.00 0.00 1.01 0.00 0.00 44 Q 8.29 4.26 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.65 0.00 45 K 7.93 3.98 0.00 1.95 2.00 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 46 L 8.50 4.24 0.00 1.90 1.87 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.70 5.06 0.00 2.96 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 48 K 7.98 4.02 0.00 1.96 2.01 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 49 D 8.19 4.53 0.00 2.94 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 50 E 7.74 3.79 0.00 1.97 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 2.18 2.33 0.00 51 Y 8.38 4.31 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 52 L 7.40 5.01 0.00 2.06 1.85 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.41 4.90 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.98 0.95 0.00 0.00 54 Y 9.67 4.29 0.00 3.10 2.90 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 *59 G 8.00 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 60 L 6.92 4.39 0.00 1.68 1.70 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.13 4.51 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 1.03 0.00 0.00 1.01 0.00 0.00 62 L 8.64 4.80 0.00 1.67 1.70 1.17 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.72 4.41 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 1.30 0.00 0.00 64 S 8.59 4.15 0.00 4.10 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 65 K 8.09 4.06 0.00 1.81 1.80 0.00 1.32 0.00 0.00 1.29 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.49 7.81 66 G 8.12 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 67 K 8.59 4.26 0.00 2.06 2.04 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.63 1.73 7.81 68 K 8.27 3.98 0.00 1.85 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.78 7.81 69 I 7.97 3.88 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.28 0.92 0.00 0.00 70 G 8.54 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 3.20 0.00 1.60 1.81 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 72 R 7.94 4.09 0.00 2.18 2.39 0.00 3.39 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 73 L 8.19 3.94 0.00 1.79 1.67 0.95 1.01 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 74 V 7.71 3.60 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 1.09 0.00 0.00 1.09 0.00 0.00 75 Y 8.27 4.06 0.00 3.16 3.19 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 76 R 8.39 3.58 0.00 1.84 1.98 0.00 2.96 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.31 0.00 77 H 8.22 3.87 0.00 3.44 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.21 3.89 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 2.30 2.34 0.00 79 L 7.74 3.77 0.00 1.05 1.44 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.81 4.07 0.00 1.74 1.67 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.14 3.94 0.00 2.19 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 2.29 2.43 0.00 82 Q 8.28 3.98 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 83 F 8.44 4.27 0.00 3.07 3.29 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 84 L 7.60 3.32 0.00 1.60 1.47 0.85 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.10 3.78 0.00 1.91 2.07 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 86 I 7.88 3.67 2.03 0.00 0.00 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 1.58 0.74 0.68 0.00 0.00 87 I 7.04 3.87 1.67 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.24 0.74 0.00 0.00 88 G 7.43 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 89 V 7.32 3.55 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 0.68 0.00 0.00 0.76 0.00 0.00 90 D 8.73 4.28 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.14 3.92 0.00 2.09 1.94 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 2.37 2.48 0.00 92 E 8.02 4.07 0.00 2.21 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 2.33 2.34 0.00 93 K 8.18 4.33 0.00 1.90 1.82 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.65 7.81 94 I 7.39 3.68 2.02 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 1.34 0.74 0.89 0.00 0.00 95 Y 8.04 4.03 0.00 3.07 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 96 N 8.28 4.28 0.00 2.83 2.86 0.00 0.00 7.06 8.08 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 97 D 7.79 4.36 0.00 2.80 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 98 V 7.77 3.44 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 0.73 0.00 0.00 0.92 0.00 0.00 99 E 7.46 4.04 0.00 1.88 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 1.47 1.77 0.00 100 G 7.28 3.83 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 0.00 0.00 0.00 101 I 7.97 4.10 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.13 0.96 0.00 0.00 102 E 8.20 3.76 0.00 1.93 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 0.00 2.21 1.74 0.00 103 H 7.83 4.47 0.00 2.87 3.18 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.22 4.90 0.00 3.07 3.25 0.00 5.61 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.60 4.67 0.00 1.44 1.43 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.31 4.39 0.00 4.10 4.01 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 0.00 107 W 8.73 4.08 0.00 3.45 3.28 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 0.00 108 N 8.31 4.36 0.00 2.89 2.85 0.00 0.00 7.24 7.63 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 0.00 109 S 7.88 4.08 0.00 3.96 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 0.00 110 I 7.83 3.59 1.99 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.36 0.92 0.00 0.00 111 D 8.72 4.51 0.00 2.88 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 0.00 112 R 8.28 3.99 0.00 1.90 1.93 0.00 3.28 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 113 I 8.28 3.68 1.87 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.74 0.51 0.00 0.00 114 G 8.19 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 0.00 0.00 0.00 115 D 8.04 4.47 0.00 2.89 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 0.00 116 L 7.99 3.98 0.00 1.86 1.91 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.05 3.87 2.33 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 1.06 0.00 0.00 1.17 0.00 0.00 118 Q 8.13 4.03 0.00 2.42 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.51 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 119 Y 8.28 3.97 0.00 2.89 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 0.00 120 F 8.29 4.26 0.00 3.37 3.12 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 0.00 121 E 8.31 4.22 0.00 2.22 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 0.00 2.41 2.50 0.00 122 E 8.01 4.50 0.00 2.10 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 2.49 2.15 0.00 123 D 7.55 4.31 0.00 2.59 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 0.00 124 D 8.79 4.40 0.00 2.76 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 0.00 125 A 8.22 4.07 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 0.00 126 R 8.17 3.99 0.00 1.94 1.95 0.00 2.52 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 127 K 8.11 4.13 0.00 2.02 1.87 0.00 1.86 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.64 1.81 7.81 128 K 8.18 4.02 0.00 2.00 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.64 7.81 129 D 8.27 4.45 0.00 2.96 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 0.00 130 L 8.10 4.06 0.00 2.02 1.86 0.96 -0.18 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 0.00 131 K 8.04 3.99 0.00 1.91 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.61 7.81 132 S 8.12 4.29 0.00 4.10 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 0.00 133 I 7.65 3.72 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.82 0.93 0.00 0.00 134 Q 7.90 3.97 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 135 K 7.70 4.28 0.00 1.90 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.69 7.81 136 K 8.38 4.20 0.00 1.99 1.85 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.69 7.81 137 T 7.61 3.77 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 0.00 138 E 8.00 4.38 0.00 2.03 2.25 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 2.17 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.