NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.8428 8.0544 114.0614 62.0911 32.8997 172.0913 8 D 4.0956 8.7815 128.4067 51.5184 39.5805 170.9593 9 P 4.4762 0.0000 0.0000 64.7333 32.8777 176.6985 10 R 4.6290 7.9638 118.6199 56.0151 30.3917 175.7521 11 A 4.8098 7.6282 118.7803 49.5257 22.2195 176.6630 12 K 4.0074 8.6472 121.8182 56.0230 32.7532 176.5523 13 W 4.4565 9.0138 135.0000 58.1195 30.9328 175.3401 14 Q 4.1202 7.5500 121.5331 53.2402 29.4565 173.1013 15 P 4.1838 0.0000 0.0000 62.4673 32.3367 175.6498 16 Q 4.6731 8.6064 117.1200 54.9162 31.7729 173.9726 17 D 5.5205 8.5715 116.4325 54.4296 41.7569 175.6828 18 N 4.9746 10.1737 115.3672 51.8528 38.3589 173.5092 19 D 4.4400 8.1087 117.2561 51.8876 42.8065 175.2220 20 I 2.7712 7.5858 114.1597 60.6441 36.5635 174.4443 21 Q 4.2118 7.4777 115.3630 56.0231 29.4069 175.5351 22 A 4.5836 7.5576 121.8408 51.1788 20.0140 178.7548 23 C 4.8766 8.8942 117.8692 58.4876 38.8783 174.1022 24 D 4.4789 8.0516 119.3010 52.8362 39.5836 175.0188 25 Y 4.8995 7.9183 120.4485 57.4568 39.7218 175.6920 26 W 4.6033 9.0060 135.0000 60.8652 30.7640 178.4947 27 R 2.9396 6.0123 114.5279 58.9303 29.1813 177.1520 28 H 4.9576 8.3838 114.3639 56.1783 28.5482 174.6346 29 C 3.3027 7.7356 117.0108 57.9111 41.3671 174.9131 30 S 4.9984 7.9417 116.1887 56.8542 62.2602 174.7030 31 I 3.4872 7.2178 112.7879 61.8004 39.2428 175.3018 32 A 4.6953 8.7148 125.0960 52.7842 20.9853 173.8588 33 G 4.1605 7.6553 115.4082 45.3250 0.0000 173.7086 34 N 5.4505 10.3753 124.0180 50.8499 42.0143 173.5151 35 I 4.2320 8.3265 122.6690 61.2490 37.9494 177.0227 36 C 4.2603 8.4468 122.9626 59.9189 39.8497 175.5987 37 D 4.2483 8.1453 118.7892 57.3412 40.8046 177.9196 38 C 4.7751 7.7412 113.9885 57.4656 40.3734 174.1247 39 S 4.4161 7.5445 114.8972 57.2099 62.4286 174.5793 40 A 3.9179 8.7223 122.5658 53.0469 16.8679 178.9133 41 G 4.2485 7.6631 108.2082 45.0566 0.0000 172.5206 42 S 4.8419 8.5262 115.2869 56.2330 66.5431 174.6834 43 L 3.7239 8.6311 121.5718 57.9383 41.5679 177.8401 44 T 4.6838 7.5123 103.7976 60.7022 70.1799 173.5297 45 S 4.8131 7.9975 118.7065 56.9837 65.6075 172.9439 46 C 4.7491 8.3199 119.9396 55.5694 41.0868 172.0487 47 P 4.8597 0.0000 0.0000 60.8357 32.0036 174.7660 48 P 4.2596 0.0000 0.0000 63.7424 31.7067 178.2434 49 G 4.1077 8.6530 108.0949 46.0678 0.0000 173.2911 50 T 4.4991 6.9262 112.4740 60.4365 69.3999 173.4643 51 L 4.7809 9.0969 126.3116 52.8407 44.5978 175.8689 52 V 4.4308 8.3140 122.9915 62.3610 32.1280 175.6255 53 A 4.5949 8.3858 129.6232 52.0186 19.1428 177.0755 54 S 4.4663 8.8008 115.2247 60.2409 64.0252 176.1160 55 G 4.1282 8.4176 107.3454 45.9959 0.0000 173.2588 56 S 4.7244 7.2891 113.9749 58.7288 66.2138 176.1489 *58 V 4.7043 7.8759 113.0684 61.6477 32.8466 175.3019 59 G 4.2607 8.2065 108.3906 44.9916 0.0000 171.7800 60 S 5.0955 8.8274 119.3036 57.4462 62.8562 173.5878 61 C 5.1308 9.8817 126.9264 55.6521 42.5198 172.7671 62 Y 4.7044 9.0297 124.6822 56.7295 39.0567 174.2510 63 N 3.1400 8.4578 127.7102 52.1093 39.2354 174.0111 64 P 4.0657 0.0000 0.0000 65.0767 31.1529 175.6558 65 P 4.0550 0.0000 0.0000 64.8127 31.5683 175.6420 66 D 4.4586 7.5727 119.6952 52.3286 40.9502 176.6596 67 P 4.4035 0.0000 0.0000 62.0357 30.7135 175.5263 68 N 5.0099 7.6148 114.9275 51.8057 41.0123 174.5532 69 K 4.9972 8.4661 119.8586 56.3994 33.4900 175.7828 70 Y 4.9096 9.7126 121.0493 56.2288 42.7753 174.9736 71 I 4.5574 8.9442 123.8585 61.2458 38.3247 175.0162 72 T 4.4993 8.8106 125.3694 62.0875 70.0715 174.1588 73 A 4.5825 8.0872 129.3654 50.5570 19.7005 176.3656 74 Y 4.6756 8.2073 120.1600 57.7225 38.3195 174.8274 75 R 4.6727 8.4220 123.4995 55.1483 32.4760 175.6197 76 D 5.3598 8.3623 122.8451 53.8443 43.5177 175.1217 77 C 5.0041 9.2309 119.5348 56.0339 40.3081 172.7624 78 C 5.6680 9.3485 123.0081 54.5716 43.3224 175.0121 79 G 4.0824 10.0476 105.3171 45.9836 0.0000 172.5971 80 Y 4.7571 7.4204 114.4930 56.1073 41.9956 174.2159 81 N 4.7046 8.4966 119.8516 52.5630 40.0086 175.1217 82 V 3.6892 8.4388 115.4673 61.9362 32.0997 176.9242 83 S 4.1438 7.9935 119.0877 59.6784 62.8357 175.8729 84 G 4.1071 7.6807 107.8388 45.2329 0.0000 173.6660 85 R 4.6926 7.2272 123.8197 55.9921 28.8438 181.4079 86 C 4.7786 8.9224 123.5362 58.1130 37.8616 170.1076 87 A 4.9848 8.0463 123.3836 51.7653 19.4733 177.3560 88 C 4.9110 9.8056 118.8600 55.7938 45.6732 173.5986 89 L 4.7841 8.3664 122.7127 54.1801 43.4914 174.5289 90 N 5.0013 9.2477 124.1643 51.0965 41.9175 175.2155 91 T 4.7090 7.6065 109.7362 61.3876 70.0590 173.5934 92 E 4.1367 8.0172 123.4123 58.6801 28.3033 176.7611 93 G 3.8822 8.6823 112.7256 45.7987 0.0000 172.7918 94 E 4.3212 7.6469 119.5732 56.8171 29.4287 174.2922 95 L 3.5723 7.8364 124.5648 52.8112 41.3978 172.5607 96 P 4.4007 0.0000 0.0000 61.5055 32.0668 177.5347 97 V 3.6152 8.2623 119.0628 64.9372 31.4440 176.9493 98 Y 4.4446 6.9126 118.8144 57.3848 34.3467 174.5552 99 N 4.1303 7.9867 122.8391 53.2775 38.6350 174.2502 100 K 3.6408 8.6573 112.3982 58.8688 32.9350 174.9128 101 D 4.8519 7.7057 117.2627 53.9140 42.0270 175.4935 102 A 4.8184 7.4656 123.8746 51.9616 18.8554 177.0254 103 N 4.9555 9.3239 120.1609 52.7780 37.5764 175.5208 104 D 4.4535 7.8770 118.8210 55.8116 41.6229 176.9652 105 I 3.5476 7.2837 120.5044 60.6702 37.4500 176.2466 106 I 3.7860 7.6391 118.9158 59.3004 36.0499 174.8692 107 W 4.4528 8.3273 127.2961 57.5763 28.1710 177.3254 108 C 4.7675 7.6465 117.8139 56.0341 43.1832 174.7299 109 F 4.3137 7.8032 119.8734 60.5311 37.3418 172.1056 110 G 4.0716 8.8818 111.6820 42.5715 0.0000 171.1662 111 G 4.4217 7.0797 114.5775 46.5774 0.0000 174.0393 112 E 4.4867 10.1779 123.5045 55.5603 31.0830 175.7088 113 D 5.1740 8.3091 127.8924 54.3278 41.8735 176.4620 114 G 3.7238 7.9211 110.1429 46.7254 0.0000 173.4326 115 M 4.5900 8.4595 122.6558 54.5797 34.2723 175.2759 116 T 4.3255 7.6421 115.2159 61.3555 69.1023 172.7111 117 Y 4.4980 8.6701 130.3849 57.9258 38.7675 173.8012 118 H 4.7410 8.0545 126.2206 57.5857 32.6003 172.9620 119 C 4.4596 6.2336 114.5067 55.6716 45.3833 172.7577 120 S 5.2875 8.6435 118.8288 56.9136 65.9651 173.6867 121 I 4.4808 8.9280 125.1595 59.6403 39.8637 174.9332 122 S 4.8758 8.2781 119.6505 56.6658 62.2800 172.9407 123 P 4.4596 0.0000 0.0000 62.3857 33.3130 177.6673 124 V 3.9774 8.2929 123.8895 61.2498 31.7305 175.6247 125 S 4.5993 9.6650 120.3802 57.0721 63.8693 174.2321 126 G 4.1843 7.6400 110.0837 44.8394 0.0000 172.7513 127 A 4.0481 8.0567 121.5618 52.2997 18.5358 177.5285 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 7 V 8.05 3.84 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 0.87 0.00 0.00 0.94 0.00 0.00 8 D 8.78 4.10 0.00 2.87 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 9 P 0.00 4.48 0.00 2.24 2.19 0.00 3.81 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 2.00 2.00 0.00 10 R 7.96 4.63 0.00 1.85 1.98 0.00 3.11 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 11 A 7.63 4.81 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.01 0.00 1.75 1.80 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 13 W 9.01 4.46 0.00 3.33 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 14 Q 7.55 4.12 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 15 P 0.00 4.18 0.00 2.26 2.24 0.00 3.58 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 16 Q 8.61 4.67 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.55 0.00 17 D 8.57 5.52 0.00 2.59 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 18 N 10.17 4.97 0.00 2.69 2.90 0.00 0.00 6.64 7.94 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 19 D 8.11 4.44 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 2.77 1.37 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.39 -0.64 0.00 0.00 21 Q 7.48 4.21 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 22 A 7.56 4.58 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 23 C 8.89 4.88 0.00 3.14 3.34 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 24 D 8.05 4.48 0.00 2.63 2.77 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 25 Y 7.92 4.90 0.00 3.05 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 26 W 9.01 4.60 0.00 3.27 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 27 R 6.01 2.94 0.00 1.42 1.47 0.00 3.04 0.00 0.00 2.80 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.38 4.96 0.00 3.61 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.74 3.30 0.00 2.75 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 30 S 7.94 5.00 0.00 3.68 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 31 I 7.22 3.49 1.72 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.82 0.00 0.00 32 A 8.71 4.70 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 33 G 7.66 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 34 N 10.38 5.45 0.00 2.64 2.64 0.00 0.00 7.41 5.12 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 35 I 8.33 4.23 1.86 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 1.16 0.91 0.99 0.00 0.00 36 C 8.45 4.26 0.00 3.14 3.08 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 37 D 8.15 4.25 0.00 2.73 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 38 C 7.74 4.78 0.00 3.14 3.09 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 39 S 7.54 4.42 0.00 3.94 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 40 A 8.72 3.92 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 41 G 7.66 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 0.00 0.00 0.00 0.00 42 S 8.53 4.84 0.00 3.93 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 43 L 8.63 3.72 0.00 1.67 1.72 0.98 0.65 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 44 T 7.51 4.68 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 1.18 0.00 0.00 45 S 8.00 4.81 0.00 3.86 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 46 C 8.32 4.75 0.00 2.90 2.91 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 47 P 0.00 4.86 0.00 1.81 2.07 0.00 3.59 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 48 P 0.00 4.26 0.00 2.17 1.94 0.00 3.61 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 49 G 8.65 4.11 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 0.00 0.00 0.00 50 T 6.93 4.50 3.76 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 1.14 0.00 0.00 51 L 9.10 4.78 0.00 1.57 1.53 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.31 4.43 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 0.76 0.00 0.00 0.92 0.00 0.00 53 A 8.39 4.59 1.41 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 0.00 0.00 0.00 54 S 8.80 4.47 0.00 3.99 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 55 G 8.42 4.13 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 0.00 0.00 0.00 56 S 7.29 4.72 0.00 3.89 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.70 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 0.75 0.00 0.00 0.94 0.00 0.00 59 G 8.21 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 60 S 8.83 5.10 0.00 3.94 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 61 C 9.88 5.13 0.00 2.98 3.35 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 62 Y 9.03 4.70 0.00 3.07 3.07 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 63 N 8.46 3.14 0.00 1.44 2.37 0.00 0.00 6.82 7.70 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 64 P 0.00 4.07 0.00 2.00 2.09 0.00 3.39 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 1.91 2.13 0.00 65 P 0.00 4.06 0.00 1.85 1.84 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 66 D 7.57 4.46 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.25 2.21 0.00 3.23 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 68 N 7.61 5.01 0.00 2.43 2.75 0.00 0.00 7.05 8.46 0.00 0.00 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 K 8.47 5.00 0.00 1.71 1.92 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.80 1.69 7.81 70 Y 9.71 4.91 0.00 3.10 3.03 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 71 I 8.94 4.56 1.91 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 1.26 0.88 0.89 0.00 0.00 72 T 8.81 4.50 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 0.24 0.00 0.00 73 A 8.09 4.58 1.13 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 0.00 0.00 74 Y 8.21 4.68 0.00 2.97 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 75 R 8.42 4.67 0.00 1.80 1.88 0.00 3.33 0.00 0.00 3.51 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 76 D 8.36 5.36 0.00 3.02 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 77 C 9.23 5.00 0.00 2.70 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 78 C 9.35 5.67 0.00 2.72 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 79 G 10.05 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 0.00 0.00 0.00 80 Y 7.42 4.76 0.00 2.56 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 81 N 8.50 4.70 0.00 2.69 2.73 0.00 0.00 7.00 7.71 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 82 V 8.44 3.69 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 1.00 0.00 0.00 1.00 0.00 0.00 83 S 7.99 4.14 0.00 3.92 3.70 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 84 G 7.68 4.11 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 0.00 0.00 0.00 85 R 7.23 4.69 0.00 1.80 0.96 0.00 3.22 0.00 0.00 3.58 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 86 C 8.92 4.78 0.00 2.88 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 87 A 8.05 4.98 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 88 C 9.81 4.91 0.00 2.72 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 89 L 8.37 4.78 0.00 1.55 1.49 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.25 5.00 0.00 2.38 2.14 0.00 0.00 6.30 7.09 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 91 T 7.61 4.71 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 1.11 0.00 0.00 92 E 8.02 4.14 0.00 1.89 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 0.00 1.87 1.78 0.00 93 G 8.68 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 94 E 7.65 4.32 0.00 2.15 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 2.24 2.25 0.00 95 L 7.84 3.57 0.00 1.75 1.61 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.40 0.00 1.60 1.87 0.00 3.18 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 1.93 1.97 0.00 97 V 8.26 3.62 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 0.80 0.00 0.00 0.91 0.00 0.00 98 Y 6.91 4.44 0.00 3.25 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 99 N 7.99 4.13 0.00 3.02 2.95 0.00 0.00 6.97 7.68 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 0.00 100 K 8.66 3.64 0.00 1.83 1.95 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.37 7.81 101 D 7.71 4.85 0.00 2.77 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 0.00 102 A 7.47 4.82 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 0.00 103 N 9.32 4.96 0.00 2.70 2.84 0.00 0.00 7.02 7.60 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 0.00 104 D 7.88 4.45 0.00 2.59 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 0.00 105 I 7.28 3.55 1.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.25 -0.55 0.00 0.00 106 I 7.64 3.79 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.19 0.74 0.00 0.00 107 W 8.33 4.45 0.00 3.50 3.30 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 0.00 108 C 7.65 4.77 0.00 2.64 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 0.00 109 F 7.80 4.31 0.00 3.22 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 0.00 110 G 8.88 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 0.00 0.00 0.00 111 G 7.08 4.42 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 0.00 112 E 10.18 4.49 0.00 1.96 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 2.23 2.25 0.00 113 D 8.31 5.17 0.00 2.79 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 0.00 114 G 7.92 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 0.00 0.00 0.00 115 M 8.46 4.59 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 116 T 7.64 4.33 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 1.34 0.00 0.00 117 Y 8.67 4.50 0.00 2.97 2.84 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 0.00 118 H 8.05 4.74 0.00 3.34 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 6.23 4.46 0.00 2.78 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 0.00 120 S 8.64 5.29 0.00 3.91 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 0.00 121 I 8.93 4.48 1.99 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 1.20 1.39 0.98 0.00 0.00 122 S 8.28 4.88 0.00 3.75 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 0.00 123 P 0.00 4.46 0.00 2.04 2.12 0.00 3.68 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 2.10 1.91 0.00 124 V 8.29 3.98 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 0.66 0.00 0.00 1.01 0.00 0.00 125 S 9.67 4.60 0.00 3.86 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 0.00 126 G 7.64 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 0.00 0.00 0.00 0.00 127 A 8.06 4.05 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 * Residues marked with a * may have inaccurate shift predictions.