NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 G 3.8767 8.4545 109.7420 46.3103 0.0000 173.7287 *14 S 3.5254 7.9389 113.0005 58.6406 63.0388 168.9379 15 D 4.8592 8.7117 128.2202 52.7363 43.4050 174.3107 16 L 5.2479 8.3694 125.7795 52.8853 45.9982 176.1704 17 V 5.0130 9.3150 122.0949 59.9566 35.3818 174.3927 18 S 4.9792 8.9658 116.6519 56.6407 66.1600 172.3298 19 C 4.9855 8.9089 121.4727 57.7261 34.8535 172.7619 20 S 5.4684 8.5661 121.0653 57.0199 66.3741 172.4706 21 Y 5.4007 8.6688 120.6104 55.7285 42.0381 173.4415 22 R 5.0487 9.1426 121.0825 54.6399 33.0901 174.6779 23 S 5.3874 9.1144 119.5342 55.5464 67.5306 172.2885 24 L 5.2548 8.8100 119.8864 52.6284 43.4727 176.6190 25 A 4.8949 8.7841 126.4536 51.6491 19.3382 177.0682 26 A 4.0494 9.0995 123.1419 51.7582 18.9312 177.2693 27 P 4.1561 0.0000 0.0000 65.3644 31.5689 176.9333 28 D 4.7270 7.9031 114.9340 52.6133 39.6325 175.9865 29 L 4.0322 7.9583 122.9539 56.2469 42.3257 177.1715 30 T 4.5387 8.5563 116.1757 59.8132 72.4965 175.5218 31 L 3.8830 8.1792 120.2498 57.8438 41.4392 179.7683 32 R 3.8853 7.8777 118.2811 59.4129 30.0735 178.0041 33 D 4.3541 7.9610 118.3852 57.2553 40.7861 178.7021 34 L 3.9418 7.6192 120.7495 58.1530 42.1543 178.9405 35 L 3.9890 7.8413 118.9432 57.8238 41.4674 179.0542 36 D 4.3540 8.4035 119.1540 57.6320 40.7465 178.9684 37 I 3.6367 7.8154 119.9945 64.5021 37.0465 178.7602 38 V 3.6040 7.9340 118.8668 65.9015 31.4744 177.8774 39 E 3.9443 8.6297 118.6825 59.7949 29.3897 179.0983 40 T 3.8899 8.0297 115.8702 67.2261 68.5541 176.6831 41 S 4.2071 8.3893 116.8135 61.4738 62.8944 176.6772 42 Q 4.0378 8.3981 120.7533 59.0083 28.1820 178.8479 43 A 3.9567 7.8560 121.2796 55.4716 18.4481 179.2503 44 H 4.1597 8.2558 116.6533 59.5461 30.0446 177.2157 45 N 4.3240 8.4396 118.2125 56.1921 38.1110 177.1340 46 A 3.9332 7.5349 120.8567 55.3141 18.4688 179.6540 47 R 3.9880 7.4412 113.9432 58.8535 30.2734 178.2116 48 A 4.3108 7.8187 117.3463 50.9673 19.5500 176.7374 49 Q 3.4831 7.9525 115.0094 57.1265 26.4418 173.5217 50 L 4.9861 8.2895 117.4044 53.3178 43.9701 176.4786 51 T 5.1473 9.7092 111.7970 59.5396 72.6831 173.6533 52 G 3.7637 7.1020 106.7467 45.2761 0.0000 171.1901 53 A 4.7533 7.7077 121.5794 50.0512 23.0244 175.5242 54 L 5.0848 9.5042 124.8911 53.1704 45.0235 174.7210 55 F 5.5042 9.4661 129.0027 56.6340 41.9382 173.3210 56 Y 4.6598 8.1858 126.7775 55.6244 41.4169 174.7988 57 S 3.9733 7.5313 119.2951 58.7296 65.9571 174.0541 58 Q 3.2617 9.6636 128.0475 57.0236 26.7329 174.8613 59 G 3.8630 7.5519 103.5223 45.0070 0.0000 172.7895 60 V 4.5508 7.0662 120.0813 60.7916 34.0719 174.3253 61 F 5.5863 8.8558 126.4155 56.0877 41.6268 174.8125 62 F 5.3184 9.4992 120.4943 55.8634 42.8729 173.7857 63 Q 4.9215 8.6392 123.6080 53.9266 32.9197 173.2927 64 W 5.1560 8.8319 135.0000 55.5964 33.2968 174.1155 65 L 5.4844 8.7838 127.3735 52.9585 44.7917 175.4187 66 E 5.1014 9.9423 120.1642 54.3729 33.7258 176.1925 67 G 4.2100 7.7590 106.8590 45.4613 0.0000 172.1502 68 R 4.6373 7.7831 119.6176 54.6975 32.0176 175.4120 69 P 4.1895 0.0000 0.0000 66.0383 31.3047 178.8241 70 A 3.9549 7.9950 118.3453 55.1442 18.3822 179.3672 71 A 3.9522 7.9399 118.8256 55.2030 18.6100 179.8561 72 V 3.5011 7.8273 116.5424 66.2110 31.6456 178.2215 73 A 4.0101 8.2988 120.7967 55.0212 18.0733 179.4696 74 E 3.8837 8.5464 117.8031 59.5836 29.5772 180.0222 75 V 3.6368 7.8551 119.2088 65.0317 31.4672 178.3999 76 M 4.0359 8.0727 119.5261 58.2277 31.5523 178.5512 77 T 3.8007 7.5995 109.1773 65.3035 68.9832 175.8528 78 H 4.3939 7.6593 118.2922 58.6215 28.6106 177.7277 79 I 3.6946 7.8778 121.6331 64.5507 36.6535 178.5036 80 Q 3.8736 7.9886 117.9043 58.1546 28.5976 177.8773 81 R 4.3724 7.3861 116.4250 55.2811 30.5418 176.1762 82 D 4.3751 7.3510 120.5554 54.4184 41.4599 176.7677 83 R 4.2646 8.5008 124.6181 57.4606 30.7184 177.3421 84 R 4.2521 8.2848 117.5026 57.4483 30.2917 175.3822 85 H 5.4503 7.7810 112.2014 54.6240 31.8034 171.9363 86 S 4.4976 9.0832 113.9348 57.5137 66.0592 172.8746 87 N 4.0965 8.6177 113.9034 54.3982 35.6188 175.2209 88 V 3.9116 7.4932 116.6210 62.8257 32.8011 175.5760 89 E 4.5576 9.6586 130.8459 54.8269 31.0274 174.8726 90 I 4.8478 8.3023 127.4424 59.9130 39.6701 175.2195 91 L 4.8372 8.2165 123.4290 52.5636 43.8331 176.8855 92 A 4.0452 8.9125 126.7005 52.1512 18.9170 176.5104 93 E 4.0324 8.5764 118.2624 57.3348 30.1799 176.3205 94 E 4.6470 8.6477 125.2670 53.5406 32.0221 173.3501 95 P 4.9653 0.0000 0.0000 62.6148 32.0954 175.6747 96 I 4.7137 8.1255 116.4374 59.0609 39.6824 175.8240 97 A 4.2122 8.8909 127.2421 54.7462 18.7649 177.7263 98 K 4.6060 7.5812 111.7230 55.4789 35.0641 175.6705 99 R 4.3146 8.5703 119.4698 57.1603 30.4715 177.0741 100 R 4.1670 9.3637 120.0283 56.7719 31.3143 176.8555 101 F 4.9918 8.7653 117.4185 56.0447 39.7963 175.0992 102 A 4.2243 8.2848 122.7216 54.0654 18.6683 179.0828 103 G 3.7816 8.9820 109.9770 45.3032 0.0000 173.7883 104 W 4.6088 8.1094 120.6592 55.0257 28.7248 176.4010 105 H 4.2576 8.6040 120.1325 58.0283 28.3023 176.2963 106 M 4.6734 7.7582 121.5693 54.5758 33.7890 173.3633 107 Q 4.3155 9.0317 129.3811 55.7735 30.2514 174.2540 108 L 5.0798 8.5674 128.4706 53.7945 44.0627 175.4179 109 S 4.7886 9.0838 122.1320 57.0147 65.8299 173.1210 110 C 4.9077 8.5555 125.5267 58.3952 33.5041 173.7628 111 S 4.3964 8.7590 121.5626 58.0294 63.6092 175.0869 112 E 3.9332 8.9350 120.6203 59.7379 29.1385 179.5003 113 A 4.0055 8.0042 120.1252 55.3558 17.9284 179.2818 114 D 4.3789 8.1483 117.2307 57.4211 41.0239 178.4973 115 M 4.0236 8.2497 118.9193 58.7142 32.2188 178.5640 116 R 3.9131 8.3417 118.6184 59.3267 30.0898 179.2532 117 S 4.1756 7.8073 112.6161 61.5123 63.0893 176.0638 118 L 4.1738 7.9921 121.9118 57.2314 41.3454 179.6197 119 G 3.8640 7.7747 104.6760 46.7443 0.0000 175.0445 120 L 4.3174 7.9935 126.5669 52.9401 41.1285 176.2285 121 A 4.0971 7.9664 126.1330 52.5115 19.0227 176.3099 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 13 G 8.45 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 *14 S 7.94 3.53 0.00 3.73 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 15 D 8.71 4.86 0.00 2.72 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 16 L 8.37 5.25 0.00 1.66 1.53 1.01 0.89 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 17 V 9.32 5.01 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 0.96 0.00 0.00 18 S 8.97 4.98 0.00 2.72 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.91 4.99 0.00 2.85 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 20 S 8.57 5.47 0.00 3.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.67 5.40 0.00 3.15 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 22 R 9.14 5.05 0.00 1.85 1.79 0.00 2.88 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.00 23 S 9.11 5.39 0.00 4.05 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 24 L 8.81 5.25 0.00 1.78 1.63 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.78 4.89 1.30 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 0.00 0.00 26 A 9.10 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.06 2.16 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 28 D 7.90 4.73 0.00 2.78 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 29 L 7.96 4.03 0.00 1.77 1.60 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.56 4.54 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 1.20 0.00 0.00 31 L 8.18 3.88 0.00 1.67 1.73 0.95 0.69 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 32 R 7.88 3.89 0.00 1.82 1.90 0.00 3.34 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 33 D 7.96 4.35 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 34 L 7.62 3.94 0.00 1.54 1.71 0.85 0.78 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 35 L 7.84 3.99 0.00 1.96 1.70 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.40 4.35 0.00 2.86 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 37 I 7.82 3.64 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.81 0.00 0.00 38 V 7.93 3.60 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 1.16 0.00 0.00 1.03 0.00 0.00 39 E 8.63 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 2.34 2.54 0.00 40 T 8.03 3.89 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 1.19 0.00 0.00 41 S 8.39 4.21 0.00 4.00 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 42 Q 8.40 4.04 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 43 A 7.86 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.26 4.16 0.00 3.23 3.32 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.44 4.32 0.00 3.01 3.10 0.00 0.00 6.95 6.87 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 46 A 7.53 3.93 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 47 R 7.44 3.99 0.00 1.91 1.96 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 48 A 7.82 4.31 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 49 Q 7.95 3.48 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 50 L 8.29 4.99 0.00 1.70 1.63 1.06 0.67 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 51 T 9.71 5.15 4.78 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 1.36 0.00 0.00 52 G 7.10 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 0.00 0.00 0.00 0.00 53 A 7.71 4.75 0.34 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 54 L 9.50 5.08 0.00 1.68 1.55 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.47 5.50 0.00 3.06 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 56 Y 8.19 4.66 0.00 2.90 2.68 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 0.00 0.00 0.00 57 S 7.53 3.97 0.00 3.19 3.32 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 58 Q 9.66 3.26 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 59 G 7.55 3.86 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 0.00 0.00 0.00 60 V 7.07 4.55 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 0.70 0.00 0.00 0.82 0.00 0.00 61 F 8.86 5.59 0.00 3.25 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 62 F 9.50 5.32 0.00 3.13 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.64 4.92 0.00 1.63 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 64 W 8.83 5.16 0.00 3.51 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 65 L 8.78 5.48 0.00 1.56 1.51 1.05 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 66 E 9.94 5.10 0.00 2.20 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 0.00 2.65 2.47 0.00 67 G 7.76 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 68 R 7.78 4.64 0.00 1.88 1.87 0.00 3.46 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.60 0.00 69 P 0.00 4.19 0.00 2.15 2.12 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 70 A 7.99 3.95 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 71 A 7.94 3.95 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 72 V 7.83 3.50 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 0.97 0.00 0.00 1.02 0.00 0.00 73 A 8.30 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 74 E 8.55 3.88 0.00 2.08 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 2.33 2.39 0.00 75 V 7.86 3.64 2.24 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 1.00 0.00 0.00 0.96 0.00 0.00 76 M 8.07 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.82 0.00 77 T 7.60 3.80 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 1.23 0.00 0.00 78 H 7.66 4.39 0.00 3.42 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.88 3.69 1.76 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.73 0.00 0.00 80 Q 7.99 3.87 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 81 R 7.39 4.37 0.00 1.78 1.96 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 82 D 7.35 4.38 0.00 2.80 2.52 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 83 R 8.50 4.26 0.00 1.84 1.97 0.00 3.26 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 84 R 8.28 4.25 0.00 1.97 2.00 0.00 3.11 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 85 H 7.78 5.45 0.00 3.49 3.49 0.00 5.54 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.08 4.50 0.00 3.91 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 87 N 8.62 4.10 0.00 2.96 2.86 0.00 0.00 6.48 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 88 V 7.49 3.91 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 0.22 0.00 0.00 0.55 0.00 0.00 89 E 9.66 4.56 0.00 2.15 1.86 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 2.23 2.32 0.00 90 I 8.30 4.85 1.87 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 1.34 0.67 0.92 0.00 0.00 91 L 8.22 4.84 0.00 1.61 1.56 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.91 4.05 1.24 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 93 E 8.58 4.03 0.00 1.83 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 0.00 2.29 2.32 0.00 94 E 8.65 4.65 0.00 2.03 1.69 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 2.22 2.30 0.00 95 P 0.00 4.97 0.00 1.99 1.98 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 96 I 8.13 4.71 2.01 0.00 0.00 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 1.22 0.74 1.09 0.00 0.00 97 A 8.89 4.21 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 98 K 7.58 4.61 0.00 1.86 1.77 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.46 7.81 99 R 8.57 4.31 0.00 1.90 2.20 0.00 3.27 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 100 R 9.36 4.17 0.00 1.58 0.80 0.00 2.29 0.00 0.00 2.62 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.45 0.00 101 F 8.77 4.99 0.00 3.36 3.06 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 0.00 102 A 8.28 4.22 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 0.00 103 G 8.98 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 0.00 0.00 0.00 104 W 8.11 4.61 0.00 3.71 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 0.00 105 H 8.60 4.26 0.00 3.40 3.43 0.00 5.77 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 M 7.76 4.67 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 107 Q 9.03 4.32 0.00 1.42 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 1.87 1.16 0.00 108 L 8.57 5.08 0.00 1.73 1.59 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.08 4.79 0.00 3.98 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 0.00 110 C 8.56 4.91 0.00 2.99 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.76 4.40 0.00 4.06 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 0.00 112 E 8.94 3.93 0.00 2.09 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 2.42 2.46 0.00 113 A 8.00 4.01 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 0.00 114 D 8.15 4.38 0.00 2.93 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 0.00 115 M 8.25 4.02 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 116 R 8.34 3.91 0.00 2.07 1.96 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 117 S 7.81 4.18 0.00 4.06 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 0.00 118 L 7.99 4.17 0.00 1.77 1.71 0.81 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 119 G 7.77 3.86 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 0.00 0.00 0.00 120 L 7.99 4.32 0.00 1.60 1.88 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.97 4.10 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.