NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1113 8.3049 120.3191 54.9356 33.1423 175.0907 2 Y 4.3940 7.7446 123.9297 56.8787 38.5275 171.0132 3 V 4.5168 8.5307 123.4872 60.2161 35.2651 176.0187 4 K 4.3866 8.5966 123.7615 53.8933 32.6767 176.4518 5 F 4.2442 9.1298 122.6537 62.0685 39.1712 177.5718 6 D 4.2696 8.2392 117.5510 57.2130 40.4227 178.1893 7 D 4.4152 8.0147 118.7076 56.5088 41.0202 177.8839 8 F 4.4271 7.7315 120.6357 60.6130 39.5712 177.2946 9 A 3.4687 7.4790 119.3862 54.6555 18.0910 179.3524 10 K 3.8401 7.5245 116.3454 58.2406 32.4367 177.4850 11 L 4.2863 6.8639 118.5081 53.9340 42.6672 176.1122 12 D 4.6788 9.1786 123.0129 52.5570 42.6059 173.7700 13 L 5.0511 8.0777 125.3542 53.4708 43.4878 175.9638 14 R 5.1443 8.8675 122.0321 54.3351 34.9600 174.3687 15 V 4.5163 8.5618 121.3392 62.1101 33.4524 175.2211 16 G 4.4355 9.0734 113.6978 44.5381 0.0000 170.5648 17 K 4.8668 8.3348 119.8228 54.1968 35.4039 175.2109 18 I 4.3116 8.2845 128.5830 61.6348 37.3026 176.5235 19 I 4.0723 8.8388 128.9093 62.4840 38.6307 176.2321 20 E 4.5913 7.8664 121.9040 54.5608 33.2655 174.0744 21 V 4.4960 8.5618 128.7522 61.7952 33.3675 175.0762 22 K 4.6959 8.3635 130.6609 53.0491 35.9808 171.9392 23 D 4.7793 8.5277 121.3590 54.8127 41.9653 176.2261 24 H 4.4259 8.7942 123.6625 54.6095 30.1255 172.4827 25 P 4.6900 0.0000 0.0000 62.2059 29.0598 176.8412 26 N 5.2473 7.8616 130.4522 52.3705 39.1877 173.9267 27 A 4.4631 7.6389 122.2518 52.9283 22.5176 177.0714 28 D 4.4459 9.0920 125.9253 56.7991 40.3214 175.2034 29 K 4.4851 7.9271 118.6302 54.0610 32.1221 177.6351 30 L 5.0170 7.5886 119.4776 54.7436 43.9066 175.1123 31 Y 5.1065 9.2039 119.9026 56.6046 41.5819 175.2022 32 V 4.6075 9.4067 124.1360 61.4403 32.1787 174.8042 33 V 5.2935 8.4157 119.3108 59.1267 34.3158 174.5099 34 K 4.8450 8.4370 123.7709 54.7115 34.8421 174.6658 35 V 4.7102 9.6540 127.8562 61.1425 34.5372 173.8575 36 D 4.7277 9.4021 128.7300 52.8338 42.1253 176.0006 37 L 4.2742 8.8166 126.4638 54.5507 41.9691 177.6846 38 G 4.2235 9.0185 112.7180 45.2694 0.0000 174.8144 39 D 4.7706 7.7546 115.8283 52.7610 41.3107 174.8119 40 E 4.6431 7.7240 119.2519 54.6246 33.0220 173.6282 41 V 4.8212 7.8721 119.9067 60.7305 32.1292 173.5508 42 R 4.2595 8.7142 125.6923 55.7402 31.2044 175.2968 43 T 5.0076 8.5897 114.9878 59.8338 71.1623 173.3629 44 L 4.8046 8.9556 126.3031 53.6991 44.6378 175.5001 45 V 4.6690 8.6579 120.8675 61.8318 32.4233 174.9854 46 A 4.6305 9.0694 130.0459 50.1458 22.0497 175.5970 47 G 4.1387 8.7015 110.2611 44.3131 0.0000 173.1891 48 L 5.0304 7.6590 120.7193 54.1676 42.9242 178.3768 49 K 2.6925 7.6670 124.1298 59.6892 32.1079 179.5482 50 K 4.0081 7.9168 118.5047 56.6733 31.6827 178.7412 51 Y 4.6599 7.3706 110.1105 58.0135 40.0021 175.4424 52 Y 4.9604 8.9911 119.9689 56.5610 41.7602 175.4197 53 K 4.7547 9.9959 126.0896 52.8260 33.7016 174.6686 54 P 4.1947 0.0000 0.0000 66.0065 31.0491 179.2143 55 E 4.0675 8.2376 115.3265 61.1782 29.5815 180.5152 56 E 4.4660 8.8428 118.3685 59.4766 29.8842 178.9333 57 L 4.1433 7.9843 118.5086 56.1093 41.8740 177.1355 58 L 4.0227 7.2412 120.7108 56.2706 42.3661 176.5538 59 N 4.3466 8.8797 121.8623 53.6296 37.1355 174.4772 60 R 4.3470 7.5288 118.2919 56.1448 31.6450 175.2174 61 Y 4.5904 8.7082 120.8756 57.4044 38.8770 175.1446 62 V 4.8250 8.6304 116.7509 58.4826 36.3973 174.4008 63 V 4.9278 8.2216 120.7751 61.2323 34.1201 174.5545 64 V 4.8733 8.6573 126.2869 60.0449 35.0974 175.1943 65 V 4.4155 8.6875 123.7245 61.6488 29.9779 176.1849 66 A 4.0104 9.0076 130.1250 54.9812 18.4959 179.4040 67 N 4.7227 7.9302 109.8475 52.8477 37.4335 174.5811 68 L 3.9907 7.3296 120.6464 54.8277 42.5308 176.1342 69 E 3.8371 8.9171 126.4084 56.2604 29.7382 174.3803 70 P 4.4861 0.0000 0.0000 63.2090 32.1441 175.5090 71 K 4.7260 9.7598 123.8026 55.2960 37.1991 176.2077 72 K 4.7483 8.6567 124.9007 53.3970 33.9025 176.6917 73 L 4.4576 8.9815 128.9912 53.8882 41.6393 179.6374 *75 G 4.4789 7.3539 106.3929 44.7138 0.0000 173.5169 76 I 4.6986 7.2259 116.4681 58.1754 41.9573 174.7755 77 G 4.0911 8.5667 109.9769 46.3591 0.0000 173.0273 78 S 5.0716 9.6821 120.0504 56.4363 66.1053 172.4731 79 Q 4.4911 8.3953 126.9258 55.6920 31.3024 175.8157 80 G 4.0948 10.3285 113.5608 44.1844 0.0000 171.2777 81 M 4.8674 7.7809 113.6458 53.7138 34.5262 174.0952 82 L 4.7160 8.4365 121.1589 54.5516 43.0288 176.3234 83 L 4.5694 8.9013 123.6423 54.1332 43.2844 175.7250 84 A 5.0200 8.2657 122.9902 50.5962 22.2862 175.6253 85 A 4.5842 9.2670 123.6768 51.5078 21.0014 176.5999 86 D 5.1990 8.5403 118.7446 52.2026 42.0671 175.7793 87 D 4.6778 8.6351 127.3311 52.8936 39.5956 178.7812 88 G 4.0517 8.1034 105.2964 47.3553 0.0000 172.7653 89 E 4.4523 8.0089 118.7238 57.7477 33.0016 177.1510 90 R 4.5245 8.5990 118.7849 56.5948 31.9888 177.4690 91 V 4.6817 8.2190 117.7958 61.7293 34.2158 174.5448 92 A 4.8663 8.9787 129.9278 49.7788 21.5669 175.2696 93 L 4.4224 8.6804 123.0903 55.3387 42.0869 177.4372 94 L 4.6551 8.6705 122.1347 54.6980 43.4337 175.8403 95 M 4.6018 8.0685 116.1473 53.8636 33.5055 172.8366 96 P 4.5446 0.0000 0.0000 62.3111 32.1537 176.5728 97 D 4.5279 8.4400 118.8288 54.8543 39.9291 175.9611 98 K 4.6144 7.3768 117.5062 54.4665 36.3444 175.1945 99 E 3.7676 8.2316 119.2258 56.0265 30.2177 176.7605 100 V 4.5123 7.5546 113.5342 59.0537 35.9849 174.9595 101 K 3.8549 8.7091 121.9860 56.8799 32.3341 176.2043 102 L 4.1163 8.3961 125.8052 56.4236 42.0489 177.4582 103 G 4.1348 9.5929 110.2725 46.1556 0.0000 173.3944 104 A 4.1076 7.6541 122.4570 51.8745 19.4154 177.3491 105 K 4.4974 8.6754 124.2386 56.3150 33.0867 176.0811 106 V 4.4320 8.7786 128.5429 61.4742 32.8461 175.9466 107 R 4.4240 8.4025 122.9906 56.7465 29.1735 174.6200 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 8.30 4.11 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 2 Y 7.74 4.39 0.00 3.15 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 3 V 8.53 4.52 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 0.78 0.00 0.00 0.99 0.00 0.00 4 K 8.60 4.39 0.00 1.75 1.72 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.24 7.81 5 F 9.13 4.24 0.00 3.20 3.22 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 6 D 8.24 4.27 0.00 2.75 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 7 D 8.01 4.42 0.00 2.92 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 8 F 7.73 4.43 0.00 3.00 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 9 A 7.48 3.47 1.02 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 10 K 7.52 3.84 0.00 1.67 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.77 7.81 11 L 6.86 4.29 0.00 1.43 1.46 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 12 D 9.18 4.68 0.00 2.65 2.57 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 0.00 0.00 0.00 0.00 13 L 8.08 5.05 0.00 1.64 1.59 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.87 5.14 0.00 1.67 1.76 0.00 3.49 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 15 V 8.56 4.52 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 1.13 0.00 0.00 0.99 0.00 0.00 16 G 9.07 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 0.00 0.00 0.00 0.00 17 K 8.33 4.87 0.00 1.36 1.38 0.00 1.15 0.00 0.00 1.45 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.08 0.77 7.81 18 I 8.28 4.31 2.02 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 1.17 0.34 0.92 0.00 0.00 19 I 8.84 4.07 1.83 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 1.23 0.75 0.88 0.00 0.00 20 E 7.87 4.59 0.00 1.95 1.68 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 2.22 2.26 0.00 21 V 8.56 4.50 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 0.19 0.00 0.00 0.87 0.00 0.00 22 K 8.36 4.70 0.00 1.47 1.60 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.25 7.81 23 D 8.53 4.78 0.00 2.58 2.70 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 24 H 8.79 4.43 0.00 3.26 3.34 0.00 5.58 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.69 0.00 2.06 2.01 0.00 3.78 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 26 N 7.86 5.25 0.00 2.85 2.79 0.00 0.00 6.73 7.46 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 27 A 7.64 4.46 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 28 D 9.09 4.45 0.00 2.71 2.60 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 29 K 7.93 4.49 0.00 1.67 1.80 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.38 1.01 7.81 30 L 7.59 5.02 0.00 1.58 1.61 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 9.20 5.11 0.00 2.99 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 32 V 9.41 4.61 2.10 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 1.00 0.00 0.00 1.06 0.00 0.00 33 V 8.42 5.29 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 0.83 0.00 0.00 0.99 0.00 0.00 34 K 8.44 4.85 0.00 1.78 1.60 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.37 7.81 35 V 9.65 4.71 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 0.87 0.00 0.00 0.90 0.00 0.00 36 D 9.40 4.73 0.00 2.63 2.45 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 37 L 8.82 4.27 0.00 1.81 1.63 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.02 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 39 D 7.75 4.77 0.00 2.76 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 40 E 7.72 4.64 0.00 1.94 1.77 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 2.25 2.26 0.00 41 V 7.87 4.82 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 0.86 0.00 0.00 0.91 0.00 0.00 42 R 8.71 4.26 0.00 1.79 1.83 0.00 3.44 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 43 T 8.59 5.01 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 1.24 0.00 0.00 44 L 8.96 4.80 0.00 1.80 1.96 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.66 4.67 2.10 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 0.75 0.00 0.00 1.00 0.00 0.00 46 A 9.07 4.63 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 47 G 8.70 4.14 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 0.00 0.00 0.00 48 L 7.66 5.03 0.00 1.64 1.78 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.67 2.69 0.00 1.13 1.68 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.45 1.55 7.81 50 K 7.92 4.01 0.00 1.81 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.03 7.81 51 Y 7.37 4.66 0.00 2.93 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 52 Y 8.99 4.96 0.00 3.01 2.95 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 53 K 10.00 4.75 0.00 1.63 1.67 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.27 7.81 54 P 0.00 4.19 0.00 2.10 1.99 0.00 3.66 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.67 0.00 55 E 8.24 4.07 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 2.23 1.98 0.00 56 E 8.84 4.47 0.00 2.24 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 2.43 2.66 0.00 57 L 7.98 4.14 0.00 1.73 1.70 1.15 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.24 4.02 0.00 1.77 1.58 0.90 0.83 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 59 N 8.88 4.35 0.00 2.95 2.98 0.00 0.00 7.08 7.28 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 60 R 7.53 4.35 0.00 1.87 1.84 0.00 3.34 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 61 Y 8.71 4.59 0.00 2.83 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 62 V 8.63 4.82 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 0.81 0.00 0.00 0.93 0.00 0.00 63 V 8.22 4.93 2.10 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 1.15 0.00 0.00 0.97 0.00 0.00 64 V 8.66 4.87 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 0.73 0.00 0.00 0.98 0.00 0.00 65 V 8.69 4.42 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 0.88 0.00 0.00 0.97 0.00 0.00 66 A 9.01 4.01 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 67 N 7.93 4.72 0.00 2.81 2.87 0.00 0.00 5.96 7.79 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 68 L 7.33 3.99 0.00 1.75 1.60 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.92 3.84 0.00 1.95 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 2.29 2.35 0.00 70 P 0.00 4.49 0.00 1.96 2.01 0.00 3.66 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 2.03 2.37 0.00 71 K 9.76 4.73 0.00 1.57 1.64 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 72 K 8.66 4.75 0.00 1.50 1.60 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.69 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.00 7.81 73 L 8.98 4.46 0.00 1.66 1.66 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 *75 G 7.35 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 76 I 7.23 4.70 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.46 0.91 0.00 0.00 77 G 8.57 4.09 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 0.00 0.00 0.00 78 S 9.68 5.07 0.00 3.84 3.66 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 79 Q 8.40 4.49 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.32 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 80 G 10.33 4.09 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 0.00 0.00 0.00 81 M 7.78 4.87 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 82 L 8.44 4.72 0.00 1.51 1.59 0.87 1.00 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 83 L 8.90 4.57 0.00 1.58 1.57 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.27 5.02 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 0.00 0.00 0.00 0.00 0.00 85 A 9.27 4.58 1.22 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 86 D 8.54 5.20 0.00 2.65 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 87 D 8.64 4.68 0.00 2.92 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 88 G 8.10 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 89 E 8.01 4.45 0.00 2.09 1.84 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 2.25 2.36 0.00 90 R 8.60 4.52 0.00 1.49 1.80 0.00 3.21 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 91 V 8.22 4.68 1.05 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 0.68 0.00 0.00 0.22 0.00 0.00 92 A 8.98 4.87 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 93 L 8.68 4.42 0.00 1.55 1.57 0.34 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.67 4.66 0.00 1.62 1.59 0.94 0.66 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 95 M 8.07 4.60 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 96 P 0.00 4.54 0.00 2.27 2.01 0.00 3.72 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 2.09 2.12 0.00 97 D 8.44 4.53 0.00 2.77 2.78 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 98 K 7.38 4.61 0.00 1.64 1.64 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.40 7.81 99 E 8.23 3.77 0.00 1.78 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.09 0.00 100 V 7.55 4.51 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 0.66 0.00 0.00 1.00 0.00 0.00 101 K 8.71 3.85 0.00 1.81 1.74 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.52 7.81 102 L 8.40 4.12 0.00 1.67 1.72 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 103 G 9.59 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 0.00 104 A 7.65 4.11 1.37 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 0.00 0.00 105 K 8.68 4.50 0.00 1.79 1.74 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.37 7.81 106 V 8.78 4.43 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 0.91 0.00 0.00 1.00 0.00 0.00 107 R 8.40 4.42 0.00 2.08 1.89 0.00 3.17 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 * Residues marked with a * may have inaccurate shift predictions.