NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0334 8.1633 120.7345 55.2829 33.9628 173.9137 2 R 5.0090 8.5107 118.9551 52.9242 33.5737 170.2457 3 V 5.0334 8.3148 120.5231 60.4063 35.8004 173.2784 4 V 4.8867 8.9164 124.1033 61.3886 33.7618 174.0931 5 I 5.0123 8.8864 129.2097 59.7336 39.7028 174.6937 6 Q 5.7907 9.0699 125.6092 53.0327 32.6715 174.5964 7 R 4.7759 8.4401 123.0788 55.9877 31.6561 175.4336 8 V 5.0547 9.0240 118.6497 59.8139 36.1724 176.0194 9 K 4.3496 9.2496 122.4747 56.4452 32.4197 176.6485 10 G 4.7952 7.1217 110.0383 43.9281 0.0000 171.6314 11 A 5.1090 8.3151 122.1377 50.4363 23.2235 175.2778 12 I 4.7939 8.9453 122.5246 59.2920 40.5575 174.3504 13 L 5.0034 9.1401 129.4225 53.6188 44.1525 175.2376 14 S 5.3197 9.5093 123.4019 57.0240 66.3635 173.6657 15 V 4.7258 8.5983 115.0140 59.2246 35.8763 174.9322 16 R 4.2991 8.5285 120.3973 56.1344 30.0841 176.7600 *27 L 4.9638 8.2611 123.5916 54.7496 43.2062 176.0306 28 E 4.6561 8.4177 124.6021 54.0279 31.9923 175.1417 29 I 4.3067 8.4916 128.1843 61.8487 37.7068 176.1392 30 I 4.7201 8.7102 115.6444 60.7752 40.2203 175.0254 31 S 4.7109 7.7216 117.2306 57.9518 67.1541 173.6112 32 E 5.3333 8.7299 122.3443 54.7268 33.6734 174.7108 33 I 4.6988 8.6658 115.5322 58.1193 41.3519 174.9852 34 K 4.6508 9.7825 131.8923 55.8475 30.6500 178.8188 35 N 4.7132 8.4348 125.3376 54.0123 39.6815 173.3654 36 G 4.3612 7.1866 109.3521 45.2747 0.0000 173.2143 37 L 5.3021 8.8213 124.8132 52.9482 45.5950 175.2523 38 I 4.5182 8.5836 124.5731 60.0246 39.9843 174.1070 39 C 5.1420 8.7631 126.5126 58.0581 31.6470 173.3596 40 F 4.9822 9.3396 124.7675 56.5067 39.7508 175.0392 41 L 5.0548 9.3038 128.6098 53.3408 43.8025 175.3752 42 G 4.3700 8.8791 115.0321 45.5709 0.0000 171.6716 43 I 5.1516 8.7357 125.1050 59.7575 39.1323 175.1031 44 H 3.6596 9.6430 127.7800 54.7816 30.4840 176.0007 45 K 3.8081 7.5385 125.1815 58.6863 32.0429 177.1442 46 N 5.0591 8.0491 115.5011 52.7220 39.3830 174.0471 47 D 4.7514 7.5990 118.3689 54.1902 41.8087 176.4798 48 T 4.7663 9.4403 114.0276 59.6514 70.9517 175.5482 49 W 4.1359 9.2010 132.4354 60.8848 30.4593 178.1665 50 E 3.8921 7.9781 117.7431 59.4550 28.6546 178.7896 51 D 4.3788 8.8844 118.9458 57.9811 41.2517 177.7928 52 A 3.8274 8.5541 119.6382 55.1164 17.9813 179.5098 53 L 3.3133 7.2063 114.8664 57.5823 41.9360 179.4834 54 Y 4.0324 7.9660 119.2449 60.5960 38.5457 178.4456 55 I 3.7396 8.1675 121.0692 64.2924 37.3933 178.0293 56 I 3.0472 7.4373 120.1169 64.5033 36.4334 178.3489 57 R 3.8348 8.2448 119.0426 58.6450 29.7742 178.2881 58 K 3.7500 7.4272 117.9342 58.7766 32.1721 178.7708 59 C 4.2509 8.2974 116.7949 62.6557 28.1486 175.5832 60 L 4.3144 7.8870 119.2510 56.1137 41.5791 177.3124 61 N 4.8135 7.3948 113.5674 52.9906 40.5723 175.2321 62 L 3.9416 7.6505 119.4719 54.8951 41.9704 176.6223 63 R 4.5817 8.5913 123.1887 55.7752 29.3633 175.8149 64 L 5.0452 8.8770 121.5575 53.8531 43.0023 176.7856 65 W 4.7776 8.0197 118.5500 54.6881 32.3467 174.6638 66 N 4.8136 8.4618 118.1906 52.8903 39.2031 174.9962 67 N 4.7615 8.3689 118.7768 52.7814 42.3199 176.1231 68 D 4.3367 8.8669 128.7857 55.9097 39.8282 174.6199 69 N 4.8819 9.3339 120.4137 53.6785 39.4141 174.1859 70 K 4.6332 8.0089 118.6781 54.9377 34.1724 175.6002 71 T 4.6839 7.8800 110.2170 60.6401 71.7396 173.6955 72 W 3.7081 7.7525 120.9720 58.8072 26.9862 173.4895 73 D 4.8883 8.2025 117.2042 55.2860 43.5969 176.7759 74 K 4.9090 8.4048 117.9130 54.7460 34.4156 176.3069 75 N 5.7227 9.2117 122.2574 50.7017 39.7618 176.3358 76 V 3.5545 8.5324 117.1892 64.4591 32.1420 178.7897 77 K 3.2483 8.0228 120.0213 59.1812 32.2686 178.4766 78 D 4.2667 8.4355 117.8728 57.3042 40.7349 177.7989 79 L 4.0332 7.0450 115.1045 53.3886 41.4602 176.1138 80 N 4.3456 7.6806 114.3725 53.3092 36.6173 173.6338 81 Y 4.9680 7.7575 114.9322 57.2865 40.4986 175.0411 82 E 5.0723 8.6757 118.8848 54.8520 33.6542 175.4899 83 L 5.2726 8.7132 119.9671 53.0257 45.8158 175.5032 84 L 4.8973 8.9088 126.3506 53.5777 43.8423 174.9080 85 I 4.7094 8.6572 128.6399 59.6301 39.3881 174.9702 86 V 4.4981 8.6735 127.6708 60.7853 34.3686 174.3789 87 S 4.8082 8.7494 123.3176 58.5174 62.9652 173.6810 88 Q 4.4492 9.0524 128.9868 53.7658 29.0428 175.3038 89 F 4.5076 8.3570 119.8687 59.3072 38.7318 178.1109 90 T 4.0817 6.8888 110.2561 63.1721 68.4043 175.6072 91 L 3.9994 7.5346 121.9752 57.2955 41.7296 177.6667 92 F 4.7980 8.5315 116.2576 57.1949 38.8718 176.8917 93 G 3.6935 7.8546 110.9566 45.0668 0.0000 172.3923 94 N 4.3361 8.8119 125.4580 54.0844 39.3212 175.3733 95 T 4.6220 8.4181 116.9538 61.8821 69.5109 175.7826 96 K 3.9864 8.9708 129.1510 57.4799 31.8307 180.9948 97 K 4.3370 7.7373 119.3422 53.2379 33.1068 179.7315 98 G 4.0196 8.4987 114.4634 44.1504 0.0000 172.0347 99 N 4.5209 8.5167 113.8135 52.9425 38.7457 175.3846 100 K 4.3344 7.5773 120.4038 53.6770 32.3341 173.9801 101 P 4.1768 0.0000 0.0000 62.6482 32.0108 175.7401 102 D 4.5145 8.7113 122.0100 52.6908 42.2231 175.7434 103 F 5.1471 8.1226 126.6708 58.1706 39.6382 178.3117 104 H 4.1568 8.1386 121.1209 58.9371 28.8422 177.4889 105 L 3.9170 8.0232 118.4343 56.9506 41.7766 176.6065 106 A 4.2066 7.5514 121.0361 51.0047 18.7962 177.6254 107 K 3.8502 8.3948 124.6453 56.3733 33.0366 176.2904 108 E 3.9375 8.7932 127.2186 55.9903 30.4001 175.5793 109 P 4.4653 0.0000 0.0000 66.3205 31.2958 178.5307 110 N 4.3704 9.6204 115.6876 56.4545 38.7238 177.3682 111 E 4.0403 8.6154 119.6028 59.3015 29.5412 179.3472 112 A 4.0950 8.3555 121.2225 55.0887 18.5018 179.0179 113 L 2.7097 7.8592 118.4566 58.1337 42.1297 179.1298 114 I 3.6621 7.4720 117.9081 64.0382 37.8785 177.6390 115 F 4.1292 8.3060 121.0630 61.5099 39.3496 176.2898 116 Y 4.3700 8.8876 119.6026 61.1077 38.5595 177.8721 117 N 4.2660 8.7461 117.5812 56.5039 38.7881 177.5783 118 K 4.1240 7.9209 119.2483 59.3571 32.0308 179.5472 119 I 3.8432 7.7948 120.4141 64.1766 36.8684 178.5993 120 I 3.8151 7.6899 120.7458 64.4778 37.0113 177.8004 121 D 4.4420 8.0877 119.9217 57.7242 40.6895 179.1922 122 E 3.9910 8.2370 118.9565 59.3223 29.6651 178.3882 123 F 4.1656 8.2019 117.8911 60.8328 38.7697 177.9860 124 K 3.9964 8.3186 116.7548 59.5019 32.0416 178.9196 125 K 4.0262 8.2751 117.7819 60.0120 32.1187 178.9779 126 Q 4.1901 8.4447 117.0056 56.9330 29.1184 176.7750 127 Y 4.5312 8.7480 119.0637 56.7739 39.1829 175.7829 128 N 4.8439 8.4052 113.1420 51.8163 43.0950 173.2061 129 D 4.3011 8.8551 125.0039 57.5546 41.1683 177.0262 130 D 4.5653 7.9395 114.5236 54.6025 41.6029 176.2466 131 K 4.2705 8.0669 117.4659 57.1837 33.9408 175.7519 132 I 4.6120 7.6054 121.0219 59.8789 37.9354 175.1038 133 K 4.6899 8.7796 127.6346 54.8235 34.6298 176.1309 134 I 4.8040 7.5877 115.8619 58.4865 40.8258 172.9743 135 G 4.2915 7.9085 110.3200 44.4852 0.0000 172.6109 136 K 4.3691 8.3523 122.6006 54.1010 32.1152 176.0727 137 F 3.8248 8.8369 128.0581 59.8366 39.4864 175.0510 138 G 3.7977 8.0672 114.7281 46.5401 0.0000 172.8451 139 N 5.0554 7.5304 113.6011 50.5377 42.4064 174.0974 140 Y 4.0397 8.7264 122.3221 58.3259 39.2820 175.2681 141 M 4.8057 7.6158 125.8463 53.3596 35.5884 174.2399 142 N 4.7847 9.1691 121.3183 51.8957 41.4935 173.4599 143 I 4.9105 8.1723 125.8540 59.6635 40.4682 174.4945 144 D 4.7053 9.0936 128.5665 53.5682 42.2325 175.8876 145 V 4.5116 8.3273 122.7829 61.5360 34.2500 175.3747 146 T 4.3942 8.9569 126.1388 62.2484 68.5379 172.9373 147 N 4.7834 8.5585 123.6547 53.1180 39.2565 174.2473 148 D 4.2492 9.9915 125.3499 56.6541 41.7794 174.3055 149 G 3.7654 8.8876 117.4308 44.3588 0.0000 171.0385 150 P 4.6354 0.0000 0.0000 60.2986 33.2223 175.8484 151 V 4.3915 8.0954 117.9859 61.6906 34.1396 173.9164 152 T 5.1437 8.6447 124.6886 61.8073 70.8067 173.8958 153 I 4.5929 9.0147 127.2129 59.5585 40.3710 173.7870 154 Y 5.1876 8.7147 127.4405 55.9048 41.3457 174.7735 155 I 4.4233 7.4813 125.7990 59.5652 41.7551 173.3929 156 D 5.1886 8.5214 126.8938 52.0899 43.2813 175.9226 157 T 4.2540 8.4346 118.7943 62.3666 69.1586 174.8844 158 H 4.9663 8.1933 116.4125 56.7763 29.8129 174.3493 159 D 4.3781 7.8681 124.6092 54.6212 41.7076 175.6511 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 8.16 5.03 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.51 5.01 0.00 1.44 1.71 0.00 2.21 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 3 V 8.31 5.03 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 0.62 0.00 0.00 1.04 0.00 0.00 4 V 8.92 4.89 2.26 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 1.17 0.00 0.00 1.14 0.00 0.00 5 I 8.89 5.01 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.59 0.94 0.00 0.00 6 Q 9.07 5.79 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 7 R 8.44 4.78 0.00 1.64 1.80 0.00 2.21 0.00 0.00 2.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.80 0.00 8 V 9.02 5.05 2.34 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 0.78 0.00 0.00 1.03 0.00 0.00 9 K 9.25 4.35 0.00 1.63 1.83 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.42 7.81 10 G 7.12 4.80 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 0.00 0.00 0.00 11 A 8.32 5.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.95 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 1.11 0.82 0.91 0.00 0.00 13 L 9.14 5.00 0.00 1.62 1.49 0.89 0.76 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 14 S 9.51 5.32 0.00 3.76 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 15 V 8.60 4.73 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 0.86 0.00 0.00 0.96 0.00 0.00 16 R 8.53 4.30 0.00 1.74 1.94 0.00 3.19 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 *27 L 8.26 4.96 0.00 1.58 1.70 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.42 4.66 0.00 2.03 1.80 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 2.27 2.31 0.00 29 I 8.49 4.31 1.88 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 1.40 0.66 0.94 0.00 0.00 30 I 8.71 4.72 1.89 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 1.42 0.59 1.01 0.00 0.00 31 S 7.72 4.71 0.00 3.74 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 32 E 8.73 5.33 0.00 1.77 1.76 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 2.19 2.28 0.00 33 I 8.67 4.70 1.85 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 0.97 0.88 0.00 0.00 34 K 9.78 4.65 0.00 1.87 1.16 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.52 7.81 35 N 8.43 4.71 0.00 1.44 1.67 0.00 0.00 6.73 7.74 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 36 G 7.19 4.36 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 0.00 37 L 8.82 5.30 0.00 1.68 1.60 1.10 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.58 4.52 1.80 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 1.37 1.05 0.00 0.00 39 C 8.76 5.14 0.00 2.78 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 40 F 9.34 4.98 0.00 2.96 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 41 L 9.30 5.05 0.00 1.90 1.79 1.18 1.16 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 42 G 8.88 4.37 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 0.00 43 I 8.74 5.15 2.04 0.00 0.00 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 1.64 1.00 0.64 0.00 0.00 44 H 9.64 3.66 0.00 2.73 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.54 3.81 0.00 1.71 1.61 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.32 7.81 46 N 8.05 5.06 0.00 2.79 2.79 0.00 0.00 6.95 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 47 D 7.60 4.75 0.00 2.43 2.54 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 0.00 0.00 0.00 0.00 48 T 9.44 4.77 4.38 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 1.28 0.00 0.00 49 W 9.20 4.14 0.00 3.44 3.26 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 50 E 7.98 3.89 0.00 2.18 1.98 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 2.41 2.53 0.00 51 D 8.88 4.38 0.00 2.88 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 52 A 8.55 3.83 0.66 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 0.00 0.00 53 L 7.21 3.31 0.00 1.62 1.50 0.59 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.97 4.03 0.00 3.06 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 55 I 8.17 3.74 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.91 1.02 0.00 0.00 56 I 7.44 3.05 1.52 0.00 0.00 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 -0.30 -0.28 0.45 0.00 0.00 57 R 8.24 3.83 0.00 1.88 1.66 0.00 3.00 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 58 K 7.43 3.75 0.00 1.74 1.68 0.00 1.57 0.00 0.00 1.41 0.00 0.00 2.61 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.68 0.94 7.81 59 C 8.30 4.25 0.00 3.36 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 60 L 7.89 4.31 0.00 1.69 1.67 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.39 4.81 0.00 2.71 2.79 0.00 0.00 7.02 7.73 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 62 L 7.65 3.94 0.00 1.80 1.64 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.59 4.58 0.00 1.94 2.11 0.00 3.18 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.86 0.00 64 L 8.88 5.05 0.00 0.97 1.42 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.02 4.78 0.00 3.37 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 66 N 8.46 4.81 0.00 2.65 2.83 0.00 0.00 6.64 8.00 0.00 0.00 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 8.37 4.76 0.00 2.73 2.81 0.00 0.00 7.43 8.25 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 68 D 8.87 4.34 0.00 2.84 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 0.00 0.00 0.00 69 N 9.33 4.88 0.00 2.68 2.80 0.00 0.00 6.71 7.61 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 70 K 8.01 4.63 0.00 1.99 1.72 0.00 1.61 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.36 7.81 71 T 7.88 4.68 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 1.11 0.00 0.00 72 W 7.75 3.71 0.00 3.51 3.25 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 73 D 8.20 4.89 0.00 2.67 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 74 K 8.40 4.91 0.00 1.83 1.66 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.47 7.81 75 N 9.21 5.72 0.00 2.98 3.20 0.00 0.00 6.62 6.96 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 76 V 8.53 3.55 2.44 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 0.98 0.00 0.00 1.16 0.00 0.00 77 K 8.02 3.25 0.00 1.78 1.60 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.84 7.81 78 D 8.44 4.27 0.00 2.66 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 79 L 7.04 4.03 0.00 0.27 0.13 0.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.68 4.35 0.00 2.67 2.86 0.00 0.00 6.93 7.12 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 81 Y 7.76 4.97 0.00 2.71 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 82 E 8.68 5.07 0.00 1.85 1.83 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 2.27 2.46 0.00 83 L 8.71 5.27 0.00 1.49 1.35 1.20 0.44 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 84 L 8.91 4.90 0.00 1.67 1.43 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.66 4.71 1.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.61 0.98 0.00 0.00 86 V 8.67 4.50 1.74 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 0.98 0.00 0.00 0.83 0.00 0.00 87 S 8.75 4.81 0.00 3.54 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 88 Q 9.05 4.45 0.00 2.34 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 89 F 8.36 4.51 0.00 3.35 3.33 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 90 T 6.89 4.08 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 0.13 0.00 0.00 91 L 7.53 4.00 0.00 1.40 1.43 1.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.53 4.80 0.00 3.37 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 3.69 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 0.00 0.00 0.00 94 N 8.81 4.34 0.00 2.80 2.81 0.00 0.00 6.58 7.12 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 95 T 8.42 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 1.21 0.00 0.00 96 K 8.97 3.99 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.25 7.81 97 K 7.74 4.34 0.00 1.72 1.61 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 0.96 7.81 98 G 8.50 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 0.00 0.00 0.00 99 N 8.52 4.52 0.00 2.71 2.85 0.00 0.00 6.71 7.61 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 0.00 100 K 7.58 4.33 0.00 1.69 1.71 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.44 7.81 101 P 0.00 4.18 0.00 1.53 1.76 0.00 3.68 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 2.06 0.00 102 D 8.71 4.51 0.00 2.58 2.40 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 0.00 103 F 8.12 5.15 0.00 3.18 3.18 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 0.00 104 H 8.14 4.16 0.00 3.24 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.02 3.92 0.00 1.77 1.51 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.55 4.21 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 0.00 107 K 8.39 3.85 0.00 1.79 1.74 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.31 7.81 108 E 8.79 3.94 0.00 2.02 1.79 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 2.35 2.28 0.00 109 P 0.00 4.47 0.00 2.25 2.21 0.00 3.61 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 2.05 2.07 0.00 110 N 9.62 4.37 0.00 2.86 2.86 0.00 0.00 7.03 6.45 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 0.00 111 E 8.62 4.04 0.00 2.05 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 0.00 2.35 2.35 0.00 112 A 8.36 4.10 1.67 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 0.00 0.00 113 L 7.86 2.71 0.00 0.58 1.54 0.44 0.79 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 0.00 114 I 7.47 3.66 1.87 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 1.45 1.13 1.01 0.00 0.00 115 F 8.31 4.13 0.00 3.45 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 0.00 116 Y 8.89 4.37 0.00 3.29 3.23 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 0.00 117 N 8.75 4.27 0.00 3.07 2.85 0.00 0.00 7.08 7.12 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 0.00 118 K 7.92 4.12 0.00 1.81 1.42 0.00 1.28 0.00 0.00 1.15 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.62 7.81 119 I 7.79 3.84 2.07 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.05 1.04 0.00 0.00 120 I 7.69 3.82 1.88 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 1.12 0.56 0.87 0.00 0.00 121 D 8.09 4.44 0.00 2.91 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 0.00 122 E 8.24 3.99 0.00 2.43 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 0.00 2.19 2.28 0.00 123 F 8.20 4.17 0.00 3.39 3.04 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 0.00 0.00 0.00 0.00 124 K 8.32 4.00 0.00 2.00 1.88 0.00 1.97 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 125 K 8.28 4.03 0.00 1.85 1.94 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.54 7.81 126 Q 8.44 4.19 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 127 Y 8.75 4.53 0.00 3.03 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 0.00 128 N 8.41 4.84 0.00 2.56 1.98 0.00 0.00 6.47 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 0.00 129 D 8.86 4.30 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 0.00 130 D 7.94 4.57 0.00 2.63 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 0.00 131 K 8.07 4.27 0.00 1.00 1.47 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.12 0.55 7.81 132 I 7.61 4.61 1.83 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 1.52 0.88 0.75 0.00 0.00 133 K 8.78 4.69 0.00 1.70 1.67 0.00 1.45 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.38 7.81 134 I 7.59 4.80 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.15 0.89 0.00 0.00 135 G 7.91 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 0.00 136 K 8.35 4.37 0.00 1.82 1.75 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.45 7.81 137 F 8.84 3.82 0.00 2.86 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 0.00 138 G 8.07 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 0.00 0.00 0.00 139 N 7.53 5.06 0.00 2.90 2.72 0.00 0.00 6.78 7.34 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 0.00 140 Y 8.73 4.04 0.00 2.93 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 0.00 141 M 7.62 4.81 0.00 1.76 1.73 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 142 N 9.17 4.78 0.00 2.83 2.66 0.00 0.00 6.89 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 0.00 143 I 8.17 4.91 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.93 0.00 0.00 144 D 9.09 4.71 0.00 2.59 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 0.00 145 V 8.33 4.51 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 0.91 0.00 0.00 1.01 0.00 0.00 146 T 8.96 4.39 4.36 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 1.22 0.00 0.00 147 N 8.56 4.78 0.00 2.62 2.78 0.00 0.00 6.98 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 0.00 148 D 9.99 4.25 0.00 2.80 2.73 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 0.00 149 G 8.89 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 0.00 0.00 0.00 150 P 0.00 4.64 0.00 2.20 2.07 0.00 3.33 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 151 V 8.10 4.39 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 1.18 0.00 0.00 1.05 0.00 0.00 152 T 8.64 5.14 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 1.26 0.00 0.00 153 I 9.01 4.59 1.89 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 1.12 1.12 0.90 0.00 0.00 154 Y 8.71 5.19 0.00 2.93 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 0.00 155 I 7.48 4.42 1.78 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 1.03 0.00 0.00 156 D 8.52 5.19 0.00 2.82 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 0.00 157 T 8.43 4.25 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 1.35 0.00 0.00 158 H 8.19 4.97 0.00 3.21 3.29 0.00 5.79 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.87 4.38 0.00 2.54 2.48 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 * Residues marked with a * may have inaccurate shift predictions.