NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.1813 8.1744 110.9442 61.1264 71.1274 173.2837 8 D 4.4831 7.7349 122.1146 49.9858 40.2944 174.0086 9 P 4.3778 0.0000 0.0000 65.3187 32.4575 177.5003 10 R 4.1786 8.2339 116.1724 56.9697 30.5132 176.8033 11 A 4.1588 7.5820 120.9276 51.1905 18.9474 177.0828 12 K 3.8462 8.6546 121.4589 56.3480 32.6363 176.3056 13 W 4.2328 8.8790 135.0000 57.5655 31.0749 175.4339 14 V 4.1061 7.5753 124.8961 59.9886 32.1024 172.9486 15 P 3.8396 0.0000 0.0000 62.0364 32.1846 175.7116 16 Q 4.7700 8.9603 118.5725 54.6184 31.2881 174.6808 17 D 5.6196 8.6171 116.1318 54.3737 41.8663 175.7983 18 N 4.8700 8.5185 114.7778 52.3745 38.9058 173.9654 19 D 4.3863 7.8564 119.2272 53.0591 42.7588 175.2166 20 I 3.1748 7.9790 120.8641 62.5982 38.0422 176.7629 21 Q 4.2041 8.0852 118.5229 56.3359 29.2870 175.4736 22 A 4.7474 7.5021 121.6493 50.7448 20.5036 177.6479 23 C 4.7161 8.8414 117.7531 59.1383 36.7277 174.1594 24 D 4.8155 8.1410 119.1182 53.2962 40.4938 175.4052 25 Y 4.7699 8.3003 122.3234 57.6290 39.2501 176.6299 26 W 4.4047 8.0322 124.4611 59.8175 28.2497 177.8708 27 R 3.4175 5.8400 117.3831 58.1060 29.7449 176.4844 28 H 5.1508 8.5464 116.2373 55.9924 28.8704 174.5585 29 C 2.8252 8.2041 117.1360 56.8188 42.6018 173.9791 30 S 4.9264 7.4770 114.5623 56.5325 62.4767 173.7400 31 I 3.4504 7.3056 119.2954 60.2850 39.4023 173.7337 32 D 5.0036 8.6814 128.6512 52.3911 43.8966 172.9520 33 G 4.2485 8.1813 113.8102 44.5814 0.0000 175.7862 34 N 5.4286 10.0033 122.7565 50.7406 42.0860 173.4923 35 I 4.1011 8.1133 123.1958 61.2666 37.3638 176.4168 36 C 4.1982 8.9480 124.8025 60.0286 36.8013 175.9623 37 D 4.3550 8.0932 117.8563 56.5470 40.7592 178.0122 38 C 4.7160 8.0858 114.4523 57.7972 40.3229 173.8758 39 S 4.6095 8.3373 114.0319 58.1480 63.3181 174.8365 40 G 4.0049 8.8473 108.0656 46.0857 0.0000 174.2942 41 G 4.2941 7.6927 110.5251 44.4798 0.0000 171.8413 42 S 4.8533 8.3899 114.2686 55.7499 66.5806 174.1000 43 L 3.8914 8.6108 120.9895 58.2706 41.4717 178.3731 44 T 4.6190 7.7705 103.3714 60.8415 69.8307 172.8236 45 N 5.0662 7.6821 118.5018 51.6053 42.2057 173.4673 46 C 4.6996 8.4602 118.2062 56.0570 35.8866 172.2109 47 P 4.7156 0.0000 0.0000 60.9246 31.6844 174.4163 48 P 4.3087 0.0000 0.0000 64.5767 31.5840 177.0436 49 G 3.9594 9.0058 111.1188 45.0581 0.0000 173.1488 50 T 4.2583 6.7929 108.8115 60.1700 71.2225 174.0993 51 K 4.5672 8.7046 121.3529 54.4543 35.1922 175.2326 52 L 4.7478 8.7405 126.8431 53.5949 43.2745 176.0261 53 A 4.6463 8.7090 128.7657 52.7645 18.9683 176.9108 54 T 4.3714 8.7169 108.6370 63.4571 70.5780 175.2802 55 A 4.5416 8.0517 124.1363 51.2692 21.0448 176.4990 56 S 3.6562 7.2861 120.0222 58.0062 68.7626 178.5636 *58 V 4.7814 8.7879 109.5640 61.7752 32.6185 172.9726 59 A 5.0396 8.2144 121.6835 50.8030 22.7465 175.5310 60 S 5.0558 8.8838 116.5031 58.2914 64.2267 174.0451 61 C 5.2532 9.5927 123.2442 54.9997 41.4675 172.5891 62 Y 4.5585 9.0310 125.6416 57.4507 39.8741 173.7826 63 N 3.5329 8.4760 127.5094 51.7369 39.1595 174.0496 64 P 4.0734 0.0000 0.0000 64.9088 32.0651 177.7787 65 T 3.9069 8.3628 116.9820 65.7939 68.2981 174.6836 66 D 4.6261 7.4362 116.2650 52.1502 40.5752 176.2267 67 G 3.7600 7.8533 107.8843 45.4584 0.0000 172.7084 68 Q 4.5486 7.3679 120.5390 53.9050 31.9714 174.5367 69 S 5.1049 8.3349 121.4391 57.9257 64.9047 172.5944 70 Y 5.1334 9.1339 121.7635 56.0111 41.7575 174.4183 71 L 4.8776 8.8831 125.6356 54.6544 43.6963 175.2475 72 I 4.7039 8.9197 127.4574 59.5648 39.5701 174.5736 73 A 4.5044 8.0678 128.8856 50.5028 19.7539 177.0771 74 Y 4.5001 8.2000 121.9469 57.8952 36.5838 174.4488 75 R 4.3078 7.8728 121.0029 55.8004 32.0114 175.9399 76 D 5.0411 9.0844 124.1520 54.3946 42.7189 174.6806 77 C 5.1160 9.1855 119.5596 56.3245 40.7006 172.3514 78 C 5.7209 8.9934 120.6559 54.4577 44.7123 174.8488 79 G 4.0318 9.6203 105.8406 45.6329 0.0000 172.8557 80 Y 4.8590 7.4766 114.7170 55.4308 41.9086 174.6474 81 N 4.4131 8.7531 121.3511 53.4284 39.5625 174.9333 82 V 3.9429 8.7267 122.1653 61.3046 31.6599 176.4738 83 S 4.1459 8.3906 118.9567 59.6779 62.8117 175.8810 84 G 3.9992 7.7949 107.2705 44.9856 0.0000 173.1185 85 R 4.5596 7.5870 118.3399 55.5497 32.7905 175.1505 86 C 4.1831 8.7842 117.9234 57.3966 37.6618 171.4973 87 P 4.9051 0.0000 0.0000 63.2913 31.9604 177.3775 88 C 5.1091 9.5450 120.4504 55.1001 45.0041 173.1006 89 L 4.9659 8.5194 122.8641 53.7072 44.2544 174.9870 90 N 5.0661 9.0186 124.1884 50.8632 42.7172 174.7773 91 T 4.9834 7.5977 110.3779 61.0034 69.1286 173.9929 92 E 3.8502 8.3119 122.6679 58.8035 29.5476 177.8967 93 G 3.7457 8.7991 111.7508 45.4479 0.0000 172.2409 94 E 4.3000 7.8861 121.2199 56.0713 29.9286 176.2192 95 L 4.7409 8.0496 126.5715 52.1404 45.0791 174.2257 96 P 4.6049 0.0000 0.0000 62.2788 32.3612 177.8029 97 V 3.7781 8.4010 119.3356 64.4567 31.6302 176.7947 98 Y 4.4406 8.0376 116.7281 58.2886 38.6280 176.0215 99 R 4.7694 7.3382 120.2334 53.8724 30.2889 174.4427 100 P 4.5633 0.0000 0.0000 65.1233 32.1240 179.3906 101 E 3.6687 8.2215 116.4362 58.4069 29.3862 177.4618 102 F 4.8584 8.2415 115.6105 56.7666 40.1010 174.0884 103 A 4.7712 8.3261 125.6775 51.5613 18.7960 177.3848 104 N 5.0424 8.9155 119.9559 52.9107 37.8610 175.7677 105 D 4.6618 7.8610 118.2553 55.8962 41.3948 176.8865 106 I 3.4862 7.3219 120.1299 60.7954 37.4177 176.1423 107 I 3.8546 7.7085 125.5709 60.8056 36.0859 176.1913 108 W 4.8520 8.7616 127.7464 55.9131 27.3388 176.3129 109 C 5.0415 7.7249 116.6457 55.9132 37.1611 174.4182 110 F 4.5133 7.9022 119.6738 59.1687 38.9702 176.1519 111 G 4.1672 9.5639 112.4786 46.1793 0.0000 173.5702 112 A 4.8058 7.5064 121.5507 51.5317 18.9849 176.9234 113 E 4.0218 8.6647 120.1394 58.1896 30.0283 177.3878 114 D 4.5972 9.0427 120.2051 54.9112 38.1549 173.4325 115 D 4.4107 7.8954 114.1832 54.8104 39.0918 173.8765 116 A 4.0930 7.6205 121.1502 53.1538 18.5743 178.3975 117 M 4.6554 8.3901 119.6711 54.5837 34.0663 176.0213 118 T 4.2162 7.6442 109.7187 61.6269 70.3523 172.7178 119 Y 4.3585 8.5524 124.5315 57.4876 40.0937 173.6692 120 H 4.7472 7.8297 124.7612 57.1182 32.4673 171.0833 121 C 4.8481 6.8243 109.6235 55.0846 45.5611 171.7212 122 T 5.3936 9.0365 115.1078 61.8126 71.9307 173.7120 123 I 4.7567 8.3010 117.5756 58.7066 40.2676 175.7155 124 S 4.5941 8.3648 117.8030 56.7865 63.0218 172.9470 125 P 4.4174 0.0000 0.0000 62.1544 32.6816 176.3483 126 I 4.4358 8.0578 121.5742 61.4896 37.6228 176.3805 127 V 4.3087 9.6976 117.5779 60.3081 33.1020 176.9708 128 G 3.9415 7.0036 106.3866 46.0007 0.0000 171.4785 129 K 4.7924 8.2096 119.1844 54.6479 34.5868 174.6441 130 A 4.6862 8.4352 123.2630 51.0532 22.4432 176.7450 131 S 4.4809 8.7025 113.8675 59.0293 62.2832 169.4450 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 T 8.17 4.18 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 1.23 0.00 0.00 8 D 7.73 4.48 0.00 2.87 2.64 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 0.00 0.00 0.00 0.00 9 P 0.00 4.38 0.00 2.24 2.20 0.00 3.83 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 2.00 2.00 0.00 10 R 8.23 4.18 0.00 1.97 2.03 0.00 3.17 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 11 A 7.58 4.16 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 12 K 8.65 3.85 0.00 1.76 1.81 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.54 7.81 13 W 8.88 4.23 0.00 3.37 3.21 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 14 V 7.58 4.11 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 0.84 0.00 0.00 0.95 0.00 0.00 15 P 0.00 3.84 0.00 2.26 1.75 0.00 3.68 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 2.09 2.19 0.00 16 Q 8.96 4.77 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 17 D 8.62 5.62 0.00 2.59 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 18 N 8.52 4.87 0.00 2.86 2.94 0.00 0.00 5.96 8.06 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 19 D 7.86 4.39 0.00 2.66 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 I 7.98 3.17 1.36 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 -0.13 0.00 0.00 21 Q 8.09 4.20 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 22 A 7.50 4.75 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 23 C 8.84 4.72 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 8.14 4.82 0.00 2.48 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 25 Y 8.30 4.77 0.00 3.46 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 26 W 8.03 4.40 0.00 3.72 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 27 R 5.84 3.42 0.00 1.47 1.54 0.00 3.06 0.00 0.00 2.63 7.34 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 8.55 5.15 0.00 3.65 3.42 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.20 2.83 0.00 2.19 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.93 0.00 3.69 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 3.45 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.62 0.90 0.00 0.00 32 D 8.68 5.00 0.00 2.68 2.42 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 33 G 8.18 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 34 N 10.00 5.43 0.00 2.72 2.85 0.00 0.00 7.39 7.24 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 35 I 8.11 4.10 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.63 0.97 0.00 0.00 36 C 8.95 4.20 0.00 2.99 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 37 D 8.09 4.35 0.00 2.72 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 38 C 8.09 4.72 0.00 3.12 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 39 S 8.34 4.61 0.00 4.02 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 40 G 8.85 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 41 G 7.69 4.29 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 0.00 42 S 8.39 4.85 0.00 3.89 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 43 L 8.61 3.89 0.00 1.65 1.70 0.95 0.57 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 44 T 7.77 4.62 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 1.22 0.00 0.00 45 N 7.68 5.07 0.00 2.70 2.66 0.00 0.00 7.03 7.54 0.00 0.00 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 8.46 4.70 0.00 2.89 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 47 P 0.00 4.72 0.00 1.97 2.09 0.00 3.73 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 2.07 2.08 0.00 48 P 0.00 4.31 0.00 2.02 1.98 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 49 G 9.01 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 0.00 0.00 0.00 50 T 6.79 4.26 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 0.19 0.00 0.00 51 K 8.70 4.57 0.00 1.61 1.94 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.33 1.70 7.81 52 L 8.74 4.75 0.00 1.75 1.51 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.71 4.65 1.45 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 0.00 0.00 54 T 8.72 4.37 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 1.27 0.00 0.00 55 A 8.05 4.54 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 56 S 7.29 3.66 0.00 3.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.78 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 0.65 0.00 0.00 0.80 0.00 0.00 59 A 8.21 5.04 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.88 5.06 0.00 4.00 3.99 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 61 C 9.59 5.25 0.00 3.19 3.64 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 0.00 0.00 0.00 0.00 62 Y 9.03 4.56 0.00 3.19 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 63 N 8.48 3.53 0.00 1.44 2.19 0.00 0.00 6.53 8.49 0.00 0.00 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 2.17 2.24 0.00 3.20 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.14 0.00 65 T 8.36 3.91 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 1.12 0.00 0.00 66 D 7.44 4.63 0.00 2.64 2.62 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 67 G 7.85 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 68 Q 7.37 4.55 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.85 0.00 0.00 0.00 0.00 0.00 1.87 1.40 0.00 69 S 8.33 5.10 0.00 3.82 3.82 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 70 Y 9.13 5.13 0.00 3.40 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 71 L 8.88 4.88 0.00 1.85 1.58 1.09 0.92 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 72 I 8.92 4.70 1.25 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.18 0.00 0.00 73 A 8.07 4.50 1.10 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 74 Y 8.20 4.50 0.00 2.95 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 75 R 7.87 4.31 0.00 1.77 1.88 0.00 3.08 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 76 D 9.08 5.04 0.00 2.89 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 77 C 9.19 5.12 0.00 2.69 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 5.72 0.00 2.72 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 79 G 9.62 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 0.00 0.00 0.00 80 Y 7.48 4.86 0.00 2.59 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 81 N 8.75 4.41 0.00 2.66 2.75 0.00 0.00 7.03 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 8.73 3.94 2.28 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 0.93 0.00 0.00 1.14 0.00 0.00 83 S 8.39 4.15 0.00 3.97 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 84 G 7.79 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 85 R 7.59 4.56 0.00 1.81 1.83 0.00 3.34 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 86 C 8.78 4.18 0.00 3.15 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 87 P 0.00 4.91 0.00 2.08 2.08 0.00 3.73 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 2.01 0.00 88 C 9.55 5.11 0.00 2.81 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 89 L 8.52 4.97 0.00 1.51 1.48 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.02 5.07 0.00 2.29 1.93 0.00 0.00 6.16 7.59 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 91 T 7.60 4.98 4.15 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 1.12 0.00 0.00 92 E 8.31 3.85 0.00 1.86 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 1.95 2.23 0.00 93 G 8.80 3.75 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 0.00 0.00 0.00 94 E 7.89 4.30 0.00 2.02 1.81 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 2.59 2.51 0.00 95 L 8.05 4.74 0.00 1.51 1.41 0.88 0.90 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 96 P 0.00 4.60 0.00 1.76 2.06 0.00 3.16 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 2.15 2.07 0.00 97 V 8.40 3.78 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 0.83 0.00 0.00 0.95 0.00 0.00 98 Y 8.04 4.44 0.00 3.15 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 99 R 7.34 4.77 0.00 1.74 1.96 0.00 3.39 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.49 0.00 100 P 0.00 4.56 0.00 2.56 2.49 0.00 3.76 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 101 E 8.22 3.67 0.00 1.55 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 1.61 1.47 0.00 102 F 8.24 4.86 0.00 3.13 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 0.00 103 A 8.33 4.77 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.92 5.04 0.00 2.82 2.92 0.00 0.00 7.10 8.12 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 0.00 105 D 7.86 4.66 0.00 2.64 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 0.00 106 I 7.32 3.49 0.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.33 -0.52 0.00 0.00 107 I 7.71 3.85 1.66 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 1.28 0.68 0.97 0.00 0.00 108 W 8.76 4.85 0.00 3.67 3.40 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 0.00 109 C 7.72 5.04 0.00 2.68 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 F 7.90 4.51 0.00 3.26 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 0.00 111 G 9.56 4.17 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 0.00 0.00 0.00 112 A 7.51 4.81 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 0.00 113 E 8.66 4.02 0.00 2.08 1.90 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 2.40 2.41 0.00 114 D 9.04 4.60 0.00 2.84 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 0.00 115 D 7.90 4.41 0.00 2.86 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 A 7.62 4.09 1.26 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 0.00 117 M 8.39 4.66 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 118 T 7.64 4.22 4.29 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 1.22 0.00 0.00 119 Y 8.55 4.36 0.00 3.20 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 0.00 120 H 7.83 4.75 0.00 3.31 3.18 0.00 5.87 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.82 4.85 0.00 3.20 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 0.00 122 T 9.04 5.39 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 1.54 0.00 0.00 123 I 8.30 4.76 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 0.92 0.00 0.00 124 S 8.36 4.59 0.00 3.82 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 0.00 125 P 0.00 4.42 0.00 2.15 2.11 0.00 3.81 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 2.05 1.92 0.00 126 I 8.06 4.44 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.43 1.13 0.00 0.00 127 V 9.70 4.31 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 0.63 0.00 0.00 0.89 0.00 0.00 128 G 7.00 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 0.00 0.00 0.00 129 K 8.21 4.79 0.00 1.66 1.66 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.03 1.40 7.81 130 A 8.44 4.69 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 0.00 131 S 8.70 4.48 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.