NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5950 8.2076 120.1901 53.8397 43.4814 177.4385 6 P 3.8910 0.0000 0.0000 65.7382 31.1807 177.0003 7 Q 4.3384 8.2796 117.6462 58.0427 28.9782 179.4801 8 L 3.9910 7.7419 121.4596 57.7782 42.2238 178.6580 9 K 3.7980 8.0139 118.6588 59.6595 31.9560 179.2936 10 F 4.3181 7.8280 117.5141 60.3706 38.7143 177.4261 11 A 4.0048 8.2130 120.3958 55.6229 18.2456 179.5380 12 M 3.8852 8.2725 117.1062 58.4461 31.9145 178.7483 13 Q 4.0094 7.8158 120.8366 58.6015 29.0062 178.3875 14 R 3.8011 7.7923 118.1884 59.4435 30.2182 177.9861 15 D 4.5324 8.7127 120.5276 57.3374 41.1678 178.0690 16 L 4.4823 7.9350 115.6658 53.3256 41.9411 178.5099 17 G 3.7755 7.8052 105.7946 47.3292 0.0000 174.0872 18 I 4.3592 7.2572 121.2742 59.2024 37.4090 175.5796 19 F 4.5432 8.7653 124.4700 56.0829 40.2046 175.0567 20 P 4.2851 0.0000 0.0000 66.3832 30.8637 178.8814 21 T 4.1706 8.0466 105.7815 63.8112 69.0037 175.3788 22 Q 4.5296 8.6072 120.8142 56.7799 29.7683 177.1357 23 L 4.0900 7.5146 120.5522 58.0777 42.0502 177.2004 24 P 4.2412 0.0000 0.0000 65.8448 31.2781 178.4101 25 Q 4.0301 8.1204 117.7516 59.0318 28.9354 177.4656 26 Y 3.7705 7.9927 120.7173 60.5929 38.8923 177.7285 27 L 3.6467 8.1026 120.1447 57.7983 41.6149 179.4137 28 Q 3.8755 7.9218 119.2673 59.4847 28.9759 178.4801 29 T 3.7593 7.6646 116.7523 66.4123 68.6160 176.2089 30 E 3.6603 7.7521 121.4645 59.0633 29.5685 178.8696 31 K 3.9470 7.8778 119.4479 59.5599 32.4325 178.8003 32 L 4.0291 8.3599 120.6022 57.1555 40.0574 179.3335 33 A 4.0058 8.4446 121.4594 54.6270 18.0144 179.3855 34 R 4.4099 7.3449 112.5043 58.5327 30.2960 178.6614 35 T 4.0810 8.0034 110.0016 63.3666 68.9113 175.6107 36 Q 4.5600 7.7836 118.3190 55.0033 29.8368 176.8389 37 A 3.9087 7.3955 123.1889 55.3915 18.3231 179.7145 38 A 3.7859 7.8774 118.2295 55.1151 18.5336 179.4707 39 A 3.8149 7.7969 118.7941 55.4319 18.6086 179.8155 40 I 3.2573 7.8417 118.6421 64.0052 36.8106 178.3857 41 E 2.5400 7.1543 119.4076 58.5913 29.5847 178.3251 42 R 3.9352 7.8365 119.0436 59.4659 29.5492 177.9392 43 E 3.9672 8.0088 118.8126 59.3576 29.6084 178.1978 44 F 4.8245 8.2277 115.3015 58.6277 39.5963 176.9177 45 G 3.8077 8.4107 108.8190 46.2819 0.0000 175.4831 46 A 4.0265 8.9448 125.3079 55.3316 18.6494 178.7587 47 Q 4.5623 7.9372 112.7232 53.8127 28.7994 180.7546 48 F 4.8891 8.5800 121.7507 59.8912 39.7516 175.1530 49 A 4.3093 8.9856 130.4264 51.6989 19.5579 176.7019 50 G 3.9415 6.3546 104.5322 46.5941 0.0000 173.1484 51 S 5.1005 8.2836 112.6614 56.6771 66.2468 172.8543 52 W 5.1077 8.2054 117.7907 56.0229 31.9136 172.8711 53 I 4.8141 8.5640 121.0060 60.3364 38.0260 175.2044 54 E 4.9696 9.4388 126.3731 54.4687 33.5794 174.2230 55 R 4.5568 8.5646 125.3295 54.2772 31.5071 175.4024 56 N 4.4945 8.7611 124.9637 53.2250 39.1457 175.9160 57 E 4.0964 8.4924 116.7539 58.5008 30.0394 177.2460 58 D 4.4995 7.9928 117.8655 53.3581 39.5675 177.2936 59 G 3.9647 8.0907 108.1526 46.5272 0.0000 174.0507 60 S 4.6647 8.4625 115.2089 57.6494 65.1681 173.1295 61 F 5.5315 9.1941 119.1705 55.8629 41.6436 175.2733 62 K 4.7192 9.1484 119.4829 55.4654 36.7345 174.5453 63 L 4.5765 8.4669 124.0384 54.1396 43.6835 175.1393 64 V 4.6704 8.3466 126.2262 60.8644 34.3567 174.0413 65 A 5.0683 8.6237 127.5639 50.0303 22.5301 174.6144 66 A 5.3500 9.2565 125.7818 51.1901 22.3512 176.4284 67 T 5.2713 9.4214 114.9372 59.8213 72.3770 174.2760 68 S 5.2268 8.7414 119.3328 57.6868 64.3914 174.6995 69 G 4.3545 7.6117 110.5910 45.1281 0.0000 172.6812 70 A 4.2533 8.5550 122.9592 54.0671 20.0116 179.0507 71 R 3.6733 7.5858 114.8417 57.3131 29.5421 180.2159 72 K 4.5256 8.4761 122.3620 53.5359 33.3275 172.6611 73 S 4.7278 7.5724 110.4568 58.1427 65.4300 172.4989 74 S 5.1942 8.5409 116.7501 55.4852 64.6147 174.1088 75 T 4.0425 8.9695 118.0473 63.6326 68.7823 175.3513 76 L 4.4805 7.9190 123.3924 52.8475 42.8166 184.5647 77 G 4.2657 8.3751 103.4702 45.7576 0.0000 177.0926 78 G 3.7261 8.5886 107.7892 45.5851 0.0000 170.6711 79 V 4.3122 7.6381 122.8088 60.6162 33.9582 174.1733 80 E 4.0464 8.7065 130.4175 56.3293 30.2556 175.9946 81 V 4.6539 8.3615 127.4549 62.3955 33.1074 175.0584 82 R 4.6809 8.9336 126.1616 54.7095 33.3824 173.4687 83 N 5.3106 8.8622 123.5919 52.6608 39.9410 174.7184 84 V 4.1905 8.9555 115.6903 59.5014 36.3172 175.2649 85 R 3.6459 8.8114 121.2739 58.9779 30.3406 176.2374 86 Y 4.8082 7.8164 117.4968 57.4256 39.5590 175.9386 87 S 4.8021 9.3639 117.5417 56.5662 66.5070 175.2039 88 L 3.9827 8.4178 126.1587 59.0816 41.7986 179.8488 89 K 3.9247 8.1880 122.9805 59.8896 31.4123 180.5901 90 Q 4.1935 7.7658 118.5231 59.1535 28.7703 179.1040 91 L 3.9509 8.1530 119.9433 57.5043 41.5779 179.3668 92 Q 4.0233 8.8907 120.6336 59.1237 29.0167 178.4328 93 S 4.1205 8.2924 115.1836 61.4548 62.8701 176.3609 94 A 3.9135 7.7706 124.5093 54.9477 18.0840 179.2798 95 M 4.0434 8.1596 116.7928 58.8897 32.2958 178.3736 96 E 4.1065 8.3222 118.8211 59.4543 29.7267 179.3324 97 Q 4.0959 7.8823 117.7120 58.6333 28.3334 178.5383 98 L 3.7544 7.4877 120.1453 57.1526 41.6471 179.0700 99 D 4.7943 8.3072 118.9340 57.2585 40.5802 178.5699 100 A 4.1116 8.3573 120.7369 55.2857 18.5077 179.7821 101 G 3.7553 8.2229 103.6121 47.2941 0.0000 175.4340 102 A 4.2346 7.8793 125.1098 55.4599 18.9577 179.5345 103 N 4.5504 8.2618 113.0450 55.4832 37.5211 176.5231 104 A 4.6364 8.2575 124.3730 54.0781 21.6903 182.4579 105 R 4.3352 5.8400 113.2384 54.7473 29.2474 180.3233 *113 L 4.1723 8.4444 114.7538 56.1233 43.0649 176.2425 114 D 4.6656 8.0010 115.3846 53.6028 40.3238 174.9945 115 G 4.2415 9.0007 108.0009 44.3981 0.0000 173.4954 116 V 4.2913 6.8013 119.1061 61.9649 32.1723 175.3979 117 Q 4.3272 9.2716 127.9055 57.7728 29.1323 176.1093 118 S 4.4753 7.9206 110.7418 58.0467 65.9718 173.6117 119 W 6.2546 8.0135 115.4715 56.4851 30.7166 173.2760 120 Y 4.8123 7.7109 117.1284 56.2407 40.4889 173.0431 121 V 4.0015 8.6827 121.1905 63.0718 32.5705 175.4184 122 D 4.8283 9.1344 128.4245 51.3225 41.4521 173.9708 123 P 4.1538 0.0000 0.0000 65.1043 31.8040 178.6279 124 R 2.5418 7.2062 116.6819 58.1560 29.6765 176.7545 125 S 4.4955 7.7709 109.2356 56.7267 63.7892 173.4325 126 N 4.0153 8.1604 118.0785 53.8693 37.4627 171.8147 127 A 4.4893 7.0149 118.1425 51.7191 23.5072 176.3086 128 V 4.4408 8.3598 119.7405 61.5982 33.3811 174.7329 129 V 4.5480 8.3998 128.4473 61.3767 33.4460 174.4081 130 V 4.8723 8.8902 127.9629 61.1789 34.0788 174.0789 131 K 5.1487 9.6014 128.0142 55.1466 34.2067 176.0586 132 V 4.9562 8.5724 116.8147 59.2251 36.2474 175.0477 133 D 5.0344 8.7659 122.8346 53.7077 42.1709 176.0307 134 D 4.4735 8.5886 121.2627 56.3611 41.0556 177.2334 135 G 3.9098 9.2522 112.2092 45.3612 0.0000 173.1581 136 A 4.6804 7.9807 121.6876 52.0004 19.0652 178.4978 137 T 3.9110 8.0064 115.7013 66.7318 67.1417 175.7313 138 D 4.3927 8.0907 120.2389 57.2141 40.8922 178.2923 139 A 4.1864 8.1533 121.4212 54.8674 18.2864 179.9787 140 G 3.5862 8.0549 104.2199 47.8286 0.0000 175.9542 141 V 3.5734 7.4707 119.5452 65.9125 31.5921 177.8812 142 D 4.3348 7.9446 118.0774 57.3344 40.5857 178.4853 143 F 4.2894 8.3891 121.2527 61.3983 39.3699 177.4027 144 V 2.9918 7.8141 117.5729 65.4977 31.0543 177.6387 145 A 3.9102 8.1699 122.3372 55.8036 18.3192 179.7961 146 L 4.1024 8.2317 121.8410 60.6089 41.1253 181.9139 147 S 4.3268 7.6235 118.7619 61.2183 61.9383 177.6334 148 G 3.9370 7.6376 107.0273 45.6283 0.0000 172.9841 149 A 4.4127 7.2490 120.7100 49.7081 19.8303 177.5609 150 D 4.2958 8.3741 121.2519 54.1027 41.1929 177.2859 151 S 4.0901 8.6314 122.0018 60.3653 63.0449 175.3421 152 A 4.1704 8.0952 124.1821 54.2935 18.4278 177.9694 153 Q 4.5470 8.1621 113.4611 55.6843 29.7788 175.3385 154 V 4.7960 7.6681 118.0441 61.5032 34.8567 174.5613 155 R 4.5542 9.4049 127.4814 54.6036 32.8785 173.8933 156 I 4.7944 8.5790 129.9691 61.0082 38.4456 175.6897 157 E 4.8466 9.2160 125.0772 54.6869 33.6212 172.1849 158 S 4.9988 8.6449 118.6890 57.9920 63.9642 173.7913 159 S 4.6187 8.9029 117.2848 56.1690 65.6394 171.9809 160 P 4.2547 0.0000 0.0000 63.1508 32.3887 177.3712 161 G 3.8623 8.6650 112.1399 45.4022 0.0000 172.9845 162 K 4.4658 8.2697 119.2188 52.1964 34.6982 171.3483 163 L 4.2192 8.5604 126.4687 53.9723 41.7088 175.8084 164 Q 4.5957 8.1587 123.3436 54.1347 31.6239 174.8716 165 T 4.0457 8.3870 109.9854 62.2182 69.4084 174.2170 166 T 4.1766 8.1168 111.4927 61.9746 68.9709 173.6825 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 5 D 8.21 4.60 0.00 2.76 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 6 P 0.00 3.89 0.00 2.43 2.26 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 7 Q 8.28 4.34 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 8 L 7.74 3.99 0.00 1.75 1.79 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.01 3.80 0.00 1.62 1.41 0.00 1.57 0.00 0.00 1.40 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 10 F 7.83 4.32 0.00 3.25 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 11 A 8.21 4.00 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 12 M 8.27 3.89 0.00 1.91 2.13 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.76 0.00 13 Q 7.82 4.01 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 1.20 2.08 0.00 14 R 7.79 3.80 0.00 2.07 1.92 0.00 3.29 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 15 D 8.71 4.53 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 16 L 7.94 4.48 0.00 1.58 1.52 0.92 0.94 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 17 G 7.81 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 18 I 7.26 4.36 1.76 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.21 0.93 0.00 0.00 19 F 8.77 4.54 0.00 3.16 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 20 P 0.00 4.29 0.00 2.18 2.09 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 21 T 8.05 4.17 4.27 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 1.25 0.00 0.00 22 Q 8.61 4.53 0.00 2.42 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 23 L 7.51 4.09 0.00 1.97 1.82 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.24 0.00 2.22 2.11 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 25 Q 8.12 4.03 0.00 2.16 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 26 Y 7.99 3.77 0.00 2.98 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 27 L 8.10 3.65 0.00 1.89 1.64 1.01 1.23 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 28 Q 7.92 3.88 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 29 T 7.66 3.76 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 1.22 0.00 0.00 30 E 7.75 3.66 0.00 1.27 1.71 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 2.15 2.24 0.00 31 K 7.88 3.95 0.00 1.79 1.93 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.43 7.81 32 L 8.36 4.03 0.00 1.89 1.65 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.44 4.01 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 34 R 7.34 4.41 0.00 2.05 2.05 0.00 3.04 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 35 T 8.00 4.08 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 1.20 0.00 0.00 36 Q 7.78 4.56 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.50 0.00 37 A 7.40 3.91 1.42 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 38 A 7.88 3.79 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 39 A 7.80 3.81 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 40 I 7.84 3.26 1.74 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 1.10 0.73 0.48 0.00 0.00 41 E 7.15 2.54 0.00 1.16 1.73 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 2.09 1.76 0.00 42 R 7.84 3.94 0.00 1.97 1.84 0.00 3.09 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 43 E 8.01 3.97 0.00 2.03 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 2.72 2.49 0.00 44 F 8.23 4.82 0.00 3.31 3.17 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 45 G 8.41 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 0.00 0.00 0.00 46 A 8.94 4.03 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 47 Q 7.94 4.56 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 48 F 8.58 4.89 0.00 3.23 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 49 A 8.99 4.31 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 50 G 6.35 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 51 S 8.28 5.10 0.00 3.89 3.98 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 0.00 0.00 0.00 52 W 8.21 5.11 0.00 3.50 3.41 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 53 I 8.56 4.81 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 1.16 0.00 0.00 54 E 9.44 4.97 0.00 2.12 1.85 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 2.39 2.64 0.00 55 R 8.56 4.56 0.00 1.51 1.74 0.00 3.11 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.04 0.00 56 N 8.76 4.49 0.00 2.97 2.72 0.00 0.00 6.37 8.07 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 57 E 8.49 4.10 0.00 2.06 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 0.00 2.26 2.28 0.00 58 D 7.99 4.50 0.00 2.78 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 59 G 8.09 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 60 S 8.46 4.66 0.00 3.91 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 61 F 9.19 5.53 0.00 3.00 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 62 K 9.15 4.72 0.00 1.74 1.88 0.00 1.34 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.51 7.81 63 L 8.47 4.58 0.00 1.75 1.52 0.90 0.70 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 64 V 8.35 4.67 0.70 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 0.44 0.00 0.00 0.77 0.00 0.00 65 A 8.62 5.07 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 66 A 9.26 5.35 1.49 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 0.00 0.00 67 T 9.42 5.27 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 68 S 8.74 5.23 0.00 4.01 4.31 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 69 G 7.61 4.35 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 0.00 70 A 8.56 4.25 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 71 R 7.59 3.67 0.00 1.84 1.78 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 72 K 8.48 4.53 0.00 1.74 1.70 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 0.95 7.81 73 S 7.57 4.73 0.00 3.78 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 74 S 8.54 5.19 0.00 4.06 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 75 T 8.97 4.04 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 1.34 0.00 0.00 76 L 7.92 4.48 0.00 1.66 1.50 0.92 0.72 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 77 G 8.38 4.27 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 0.00 78 G 8.59 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 0.00 0.00 0.00 79 V 7.64 4.31 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 0.78 0.00 0.00 0.87 0.00 0.00 80 E 8.71 4.05 0.00 2.12 1.78 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 2.29 2.26 0.00 81 V 8.36 4.65 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 0.89 0.00 0.00 1.10 0.00 0.00 82 R 8.93 4.68 0.00 1.91 1.80 0.00 3.39 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 83 N 8.86 5.31 0.00 2.63 2.70 0.00 0.00 6.85 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 84 V 8.96 4.19 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 0.76 0.00 0.00 1.05 0.00 0.00 85 R 8.81 3.65 0.00 1.48 0.96 0.00 2.21 0.00 0.00 2.73 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.27 0.00 86 Y 7.82 4.81 0.00 3.03 2.81 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 87 S 9.36 4.80 0.00 4.06 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 88 L 8.42 3.98 0.00 2.00 1.78 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.19 3.92 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.11 7.81 90 Q 7.77 4.19 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 91 L 8.15 3.95 0.00 1.69 1.69 0.96 0.64 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 92 Q 8.89 4.02 0.00 2.28 2.33 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 2.40 2.45 0.00 93 S 8.29 4.12 0.00 4.09 4.30 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 94 A 7.77 3.91 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 95 M 8.16 4.04 0.00 2.43 2.15 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 96 E 8.32 4.11 0.00 2.24 2.01 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 2.37 2.40 0.00 97 Q 7.88 4.10 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 98 L 7.49 3.75 0.00 1.63 0.89 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.31 4.79 0.00 3.00 2.87 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 0.00 100 A 8.36 4.11 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 0.00 101 G 8.22 3.76 0.00 0.00 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0.00 0.00 0.00 0.00 1.40 1.42 0.00 125 S 7.77 4.50 0.00 3.94 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 0.00 126 N 8.16 4.02 0.00 2.81 2.88 0.00 0.00 6.87 7.87 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 0.00 127 A 7.01 4.49 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 0.00 128 V 8.36 4.44 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 0.95 0.00 0.00 0.88 0.00 0.00 129 V 8.40 4.55 1.00 0.00 0.00 0.00 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 0.75 0.00 0.00 130 V 8.89 4.87 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 1.18 0.00 0.00 0.97 0.00 0.00 131 K 9.60 5.15 0.00 1.82 1.78 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.57 7.81 132 V 8.57 4.96 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 0.78 0.00 0.00 1.01 0.00 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0.00 0.00 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 0.99 0.00 0.00 142 D 7.94 4.33 0.00 2.93 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 0.00 143 F 8.39 4.29 0.00 3.00 3.17 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 0.00 144 V 7.81 2.99 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 0.77 0.00 0.00 0.78 0.00 0.00 145 A 8.17 3.91 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 0.00 146 L 8.23 4.10 0.00 1.70 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.62 4.33 0.00 3.68 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 0.00 148 G 7.64 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 0.00 149 A 7.25 4.41 1.03 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 0.00 150 D 8.37 4.30 0.00 2.59 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 0.00 151 S 8.63 4.09 0.00 3.96 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 0.00 152 A 8.10 4.17 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 0.00 153 Q 8.16 4.55 0.00 1.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 154 V 7.67 4.80 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 0.71 0.00 0.00 0.82 0.00 0.00 155 R 9.40 4.55 0.00 1.79 1.67 0.00 3.12 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 156 I 8.58 4.79 1.87 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 1.18 0.95 0.93 0.00 0.00 157 E 9.22 4.85 0.00 1.58 1.75 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 2.12 2.12 0.00 158 S 8.64 5.00 0.00 3.76 3.98 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 0.00 0.00 0.00 159 S 8.90 4.62 0.00 3.88 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 0.00 160 P 0.00 4.25 0.00 1.98 1.99 0.00 3.86 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 2.03 2.10 0.00 161 G 8.66 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 0.00 162 K 8.27 4.47 0.00 1.73 1.55 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 0.95 7.81 163 L 8.56 4.22 0.00 1.60 1.63 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 8.16 4.60 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 165 T 8.39 4.05 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 1.19 0.00 0.00 166 T 8.12 4.18 4.23 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.