NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 A 4.4149 8.1227 122.4635 52.0593 20.7287 175.1745 21 Q 4.7805 8.4538 119.8575 54.1356 32.4056 172.3157 22 I 4.7807 9.8255 128.2223 59.6905 41.1306 173.4682 23 D 5.3722 9.5547 127.4728 52.5396 43.4484 175.3133 24 L 5.1747 9.3187 123.5699 53.1118 44.7833 175.1035 25 N 5.4317 9.2298 122.8605 51.8509 40.0693 174.3887 26 I 5.4039 8.4812 117.4341 58.7065 40.3729 175.3320 27 T 4.7500 8.5147 119.6229 62.2702 70.3714 175.3450 28 C 4.4619 8.9573 120.6242 57.6515 40.7221 173.5399 29 R 4.7465 8.6329 120.4415 55.5713 31.7143 175.7618 30 F 4.8344 9.3585 122.3501 55.2842 41.3267 175.6291 31 A 4.1325 9.5008 130.3961 53.1252 16.7163 177.5001 32 G 3.6855 8.1532 109.7935 45.5140 0.0000 173.3024 33 V 4.8279 7.6392 120.6348 61.9641 32.9712 175.0213 34 F 5.3367 9.0307 121.7042 55.7202 42.1652 172.4205 35 H 5.2600 9.2924 119.0027 54.5459 32.5231 173.1481 36 V 4.8248 8.4011 124.7290 61.0090 34.1926 173.4985 37 E 4.9727 9.0420 128.6587 54.2143 32.4118 174.1026 38 K 4.8224 8.6781 127.6641 55.3096 34.2671 175.7916 39 N 4.1568 10.0704 125.2121 54.3783 36.6040 174.9214 40 G 3.9438 8.9413 103.0221 45.9531 0.0000 173.7176 41 R 4.2713 7.3471 114.6617 54.8216 32.3107 173.9743 42 Y 4.5471 8.2347 116.2353 58.7689 37.3474 176.8019 43 S 4.6673 8.7147 117.4690 58.7370 64.4373 173.4716 44 I 4.5396 8.4188 122.9697 60.0388 39.0108 175.8584 45 S 4.9368 8.3650 120.1936 57.1018 65.9964 175.1252 46 R 2.6059 7.8030 121.3948 59.2652 29.5855 178.4660 47 T 3.8225 7.5728 109.1446 64.8457 68.8506 176.0896 48 E 4.0639 8.2217 122.0012 58.4034 29.5523 178.5358 49 A 4.0066 8.2463 121.3162 55.1540 18.4739 179.4035 50 A 3.9585 7.9729 119.1697 55.4075 18.3717 179.4896 51 D 4.4117 8.1641 117.4022 57.4908 40.9593 178.9087 52 L 3.6402 8.4306 121.0797 58.3019 42.0556 178.2910 53 C 4.4628 8.4593 116.6321 60.0337 39.6163 176.0036 54 K 3.8955 8.2155 120.9531 59.5796 31.7765 178.6693 55 A 4.2335 8.3229 122.2033 53.7856 17.8696 178.4453 56 F 4.8758 7.6481 114.3564 56.3226 39.6524 175.3954 57 N 4.2627 8.2170 114.3767 54.5729 36.5235 173.4183 58 S 5.1399 8.5381 112.0258 57.2775 67.8504 173.4755 59 T 4.8842 8.9649 110.0546 59.6415 72.5642 173.3124 60 L 4.4446 8.5170 122.2892 54.1639 42.1822 175.7844 61 P 4.7945 0.0000 0.0000 61.8192 32.8688 176.8857 62 T 4.9536 8.5671 117.4473 61.4465 67.6320 175.7714 *64 A 4.3505 8.8304 121.9882 52.2845 20.2630 180.0676 65 Q 4.1591 7.6247 112.5867 56.4287 28.0159 178.3100 *67 E 4.2755 8.2842 120.0082 56.3826 31.5637 178.3335 68 K 3.9538 8.0038 117.8929 59.3335 32.5082 178.4742 69 A 4.2272 7.9726 120.8598 55.1365 18.3443 179.0120 70 L 4.2453 8.4162 120.0077 57.8093 41.8050 179.1334 71 S 4.3853 7.9020 112.2248 59.9073 62.9415 174.6760 72 I 4.4511 7.8582 115.9121 60.8122 37.5636 176.1528 73 G 3.9263 8.3729 107.8269 46.0384 0.0000 173.9222 74 F 3.6742 7.9391 122.7661 56.7310 39.1487 174.2005 75 E 4.3481 7.5814 124.7831 55.0629 32.2874 174.0511 76 T 4.5212 7.8433 116.0063 62.5185 72.6502 172.7979 77 C 4.8969 8.4414 119.3947 56.3357 44.1374 173.1138 78 R 4.8885 7.6540 115.4416 53.6825 33.3031 175.0183 79 Y 4.4578 8.9421 122.0518 58.4308 39.0518 175.5368 80 G 4.8777 9.2368 109.6476 45.4537 0.0000 172.2285 81 F 4.9687 9.0127 122.0637 57.6205 40.2056 174.7093 82 I 4.9242 8.6988 115.9214 58.6493 40.3745 173.5545 83 E 3.9422 8.9730 122.3317 57.7118 29.2176 177.5228 84 G 3.8302 9.2549 113.7449 46.2910 0.0000 171.5045 85 H 4.9949 7.7399 114.6800 54.4637 34.3875 172.1385 86 V 4.6967 8.1795 117.8957 61.4938 34.3749 174.6577 87 V 5.7384 8.9252 119.6182 59.0647 37.1134 174.1490 88 I 4.9354 8.1519 121.3931 58.9441 40.9300 173.0680 89 P 4.9126 0.0000 0.0000 62.4529 33.0593 175.3107 90 R 4.6622 9.1112 122.6150 54.8058 33.1945 175.9628 91 I 3.8625 9.2707 125.2090 62.6070 38.2413 175.9499 92 H 4.8737 7.9865 115.8164 52.8361 30.6781 172.4317 93 P 4.2855 0.0000 0.0000 62.6118 31.8378 175.3376 94 N 4.9711 8.3891 120.6822 51.4134 41.7667 175.2015 95 S 4.0971 8.7132 119.6762 60.9576 63.2983 175.0763 96 I 4.0305 7.9469 120.2709 62.1286 37.4704 174.9280 97 C 4.7199 8.0607 118.9807 55.9367 42.8334 174.0062 98 A 3.3718 9.2608 127.5027 53.1425 15.7166 176.6017 99 A 3.6827 8.6137 116.6522 54.4716 16.1841 178.7164 100 N 4.4034 8.1078 114.8944 55.4943 38.3345 173.9821 101 N 4.5721 7.6960 114.1171 53.5534 39.3300 173.9788 102 T 4.5072 8.2798 113.3291 60.9961 70.8647 174.5499 103 G 3.7070 9.0373 111.6121 44.2715 0.0000 172.7886 104 V 4.1045 7.8164 118.5929 61.7305 31.0751 174.9904 105 Y 4.3340 8.8392 128.4674 57.0508 39.9923 173.7438 106 I 4.4832 7.6391 127.8025 59.5933 38.4483 175.2172 107 L 3.7232 8.2150 130.4441 55.0259 42.1582 176.9358 108 T 3.8874 8.5637 123.8906 66.4142 68.7991 176.1959 109 S 4.5232 7.5304 120.8006 56.8027 61.7866 173.1536 110 N 5.1594 8.0170 126.5739 53.5739 37.7547 177.0323 111 T 4.0154 8.0984 117.5438 66.9387 68.7769 174.8075 112 S 4.3184 7.7960 115.2806 57.5839 63.4974 172.4534 113 Q 4.7192 7.7225 120.1732 55.0453 30.3814 175.4510 114 Y 4.4192 8.7011 117.2656 57.8468 42.6802 172.8723 115 D 5.4494 8.8528 120.9090 54.6252 44.1480 175.3591 116 T 5.1600 8.3998 112.0956 61.4239 71.3198 173.0823 117 Y 5.1852 8.6195 122.4192 56.6505 40.7011 174.6827 118 C 5.1267 8.7062 117.7915 55.2304 45.0982 172.7892 119 F 5.3047 9.6382 124.0125 56.5157 41.8992 173.1663 120 N 4.9466 8.7720 125.5307 51.6489 39.7277 175.5387 121 A 3.8367 8.5930 129.7790 54.5841 18.7389 177.8100 122 S 4.4292 8.6863 110.2881 58.5961 63.4806 174.6225 123 A 4.1387 7.2621 123.7019 50.8760 18.9175 175.8623 124 P 4.4626 0.0000 0.0000 61.9968 31.9671 174.9827 125 P 4.8941 0.0000 0.0000 63.4809 31.7452 175.3761 126 E 4.7529 8.0809 119.5240 55.8256 34.0523 173.5931 127 E 4.2404 8.6048 121.0921 56.2418 30.6573 176.2122 128 D 4.5555 8.7975 126.2593 52.7894 43.9083 174.7039 129 C 4.7238 8.6448 122.3102 56.5965 40.7422 174.0806 130 T 3.8322 7.6764 116.7629 64.0486 68.3910 174.1330 131 S 4.2412 8.5692 122.5075 58.6459 63.4012 173.8195 132 V 3.9658 8.8273 125.7560 61.8320 31.5917 176.0182 133 T 2.9537 8.1569 124.5648 65.1761 68.7395 173.7307 134 D 4.2477 7.1589 118.3067 52.7057 41.1560 175.0649 135 L 3.9618 7.8264 121.4365 53.1801 40.9413 174.9706 136 P 4.4721 0.0000 0.0000 64.4880 31.7592 176.2127 137 N 5.1399 8.2126 118.4087 53.2712 40.1933 174.0545 138 A 4.3419 7.7747 118.7930 51.1565 19.9051 176.9476 139 F 5.0555 7.7919 114.1392 54.7133 41.3919 174.7185 140 D 4.6961 9.0058 118.7595 54.7518 41.3214 176.2395 141 G 4.1099 8.0621 107.8038 45.8746 0.0000 171.1637 142 P 4.6766 0.0000 0.0000 63.0594 32.0822 175.7796 143 I 4.3009 7.5501 122.0163 60.9394 38.7448 175.2374 144 T 4.4516 8.6845 124.1970 63.6911 69.3733 173.5640 145 I 4.8818 9.1774 129.0709 59.9410 39.4582 175.0347 146 T 5.1236 9.0182 124.4809 61.8333 71.4008 173.4837 147 I 4.9699 8.9138 126.6253 59.5803 40.1791 174.5407 148 V 4.8700 9.0161 127.5385 60.6575 33.7744 175.1994 149 N 5.3889 8.6921 125.7113 51.6314 40.8606 176.0686 150 R 4.0468 8.6866 115.5690 58.9520 29.5077 177.2883 151 D 4.4332 8.0725 116.6969 54.0494 39.9003 177.2221 152 G 3.9625 8.2325 108.7877 45.2684 0.0000 173.8507 153 T 3.8790 7.8488 117.5132 63.5660 69.5866 173.7726 154 R 4.6794 8.3115 125.5651 55.3104 31.1940 175.3286 155 Y 4.5436 8.7980 123.3208 56.5954 39.5923 175.0314 156 V 5.0125 8.5187 124.4318 61.1843 34.0997 174.3237 157 Q 4.6762 9.1129 124.2766 54.9019 32.8060 172.8572 158 K 4.8862 8.1539 120.6569 55.0399 34.2233 175.7461 159 G 4.0534 8.6094 112.3556 47.3146 0.0000 171.3775 160 E 4.9320 7.9803 119.5158 55.6776 33.0322 176.8171 161 Y 4.1027 7.4528 118.4356 56.2099 40.2706 175.7992 162 R 4.3053 7.6622 120.3644 56.3164 30.6225 176.1492 163 T 4.5560 8.8358 113.2867 61.1179 69.1547 172.9670 164 N 4.8005 7.9700 120.5012 51.8945 39.8155 173.6043 165 P 4.3135 0.0000 0.0000 65.8533 31.1669 178.1649 166 E 4.0230 8.6784 117.8738 58.6788 29.3505 178.4371 167 D 4.5648 7.9569 118.7896 57.0354 41.2487 178.5111 168 I 3.8406 7.5940 118.6226 64.3802 37.3706 175.3710 169 Y 4.1070 8.1853 124.1805 57.7329 38.6375 174.6823 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 20 A 8.12 4.41 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 21 Q 8.45 4.78 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 22 I 9.83 4.78 1.98 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 1.29 0.69 1.09 0.00 0.00 23 D 9.55 5.37 0.00 2.59 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 24 L 9.32 5.17 0.00 1.64 1.69 0.83 0.58 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 25 N 9.23 5.43 0.00 2.74 2.79 0.00 0.00 6.11 8.17 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 26 I 8.48 5.40 1.88 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.77 0.95 0.00 0.00 27 T 8.51 4.75 4.85 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 1.83 0.00 0.00 28 C 8.96 4.46 0.00 2.85 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 29 R 8.63 4.75 0.00 1.62 1.74 0.00 2.80 0.00 0.00 2.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 30 F 9.36 4.83 0.00 2.66 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.50 4.13 1.41 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 0.00 0.00 32 G 8.15 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 33 V 7.64 4.83 2.00 0.00 0.00 0.00 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 1.11 0.00 0.00 34 F 9.03 5.34 0.00 3.26 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 35 H 9.29 5.26 0.00 3.60 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.40 4.82 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 1.00 0.00 0.00 0.85 0.00 0.00 37 E 9.04 4.97 0.00 2.14 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 2.20 2.39 0.00 38 K 8.68 4.82 0.00 1.96 1.75 0.00 2.19 0.00 0.00 2.06 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.56 7.81 39 N 10.07 4.16 0.00 2.91 2.91 0.00 0.00 7.06 8.29 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 40 G 8.94 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 41 R 7.35 4.27 0.00 1.82 1.86 0.00 3.09 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 42 Y 8.23 4.55 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 4.67 0.00 3.99 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 44 I 8.42 4.54 2.28 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.95 1.05 0.00 0.00 45 S 8.36 4.94 0.00 4.01 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 46 R 7.80 2.61 0.00 1.29 1.70 0.00 3.14 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.00 47 T 7.57 3.82 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 1.18 0.00 0.00 48 E 8.22 4.06 0.00 2.28 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 0.00 2.57 2.54 0.00 49 A 8.25 4.01 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 50 A 7.97 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 51 D 8.16 4.41 0.00 3.10 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 52 L 8.43 3.64 0.00 1.99 1.83 0.02 0.87 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 53 C 8.46 4.46 0.00 3.07 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 54 K 8.22 3.90 0.00 2.03 2.04 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.53 7.81 55 A 8.32 4.23 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 56 F 7.65 4.88 0.00 3.36 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 57 N 8.22 4.26 0.00 2.91 2.91 0.00 0.00 6.63 7.27 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 58 S 8.54 5.14 0.00 4.02 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 59 T 8.96 4.88 4.34 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 1.32 0.00 0.00 60 L 8.52 4.44 0.00 1.61 1.74 0.95 1.18 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 61 P 0.00 4.79 0.00 2.10 2.00 0.00 3.71 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 62 T 8.57 4.95 4.19 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 1.13 0.00 0.00 *64 A 8.83 4.35 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.62 4.16 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.33 0.00 0.00 0.00 0.00 0.00 1.53 1.93 0.00 *67 E 8.28 4.28 0.00 2.14 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 0.00 2.27 2.22 0.00 68 K 8.00 3.95 0.00 1.79 2.01 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.49 7.81 69 A 7.97 4.23 1.44 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 70 L 8.42 4.25 0.00 1.77 1.86 0.89 1.09 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 71 S 7.90 4.39 0.00 4.04 4.11 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 72 I 7.86 4.45 2.03 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 1.56 1.16 0.98 0.00 0.00 73 G 8.37 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 0.00 0.00 0.00 74 F 7.94 3.67 0.00 2.50 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 75 E 7.58 4.35 0.00 2.04 1.65 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 2.03 2.17 0.00 76 T 7.84 4.52 4.10 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 1.03 0.00 0.00 77 C 8.44 4.90 0.00 2.78 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 78 R 7.65 4.89 0.00 1.62 2.05 0.00 3.34 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 79 Y 8.94 4.46 0.00 2.66 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 0.00 0.00 0.00 0.00 80 G 9.24 4.88 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 81 F 9.01 4.97 0.00 3.19 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 82 I 8.70 4.92 2.20 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 1.27 1.08 1.01 0.00 0.00 83 E 8.97 3.94 0.00 1.94 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 2.32 2.28 0.00 84 G 9.25 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.74 4.99 0.00 3.08 3.12 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.18 4.70 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 0.20 0.00 0.00 0.42 0.00 0.00 87 V 8.93 5.74 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 0.51 0.00 0.00 0.81 0.00 0.00 88 I 8.15 4.94 1.81 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.53 0.76 0.00 0.00 89 P 0.00 4.91 0.00 2.10 2.04 0.00 3.46 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 90 R 9.11 4.66 0.00 1.59 1.73 0.00 3.23 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.71 0.00 91 I 9.27 3.86 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 1.22 0.43 0.64 0.00 0.00 92 H 7.99 4.87 0.00 3.06 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.29 0.00 2.01 2.12 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 94 N 8.39 4.97 0.00 2.61 2.53 0.00 0.00 6.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.71 4.10 0.00 3.99 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 96 I 7.95 4.03 2.04 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 1.28 0.80 0.88 0.00 0.00 97 C 8.06 4.72 0.00 2.81 2.80 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 98 A 9.26 3.37 0.92 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 0.00 0.00 99 A 8.61 3.68 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 0.00 100 N 8.11 4.40 0.00 2.83 2.89 0.00 0.00 7.07 7.40 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 0.00 101 N 7.70 4.57 0.00 2.46 2.67 0.00 0.00 6.60 8.15 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 0.00 102 T 8.28 4.51 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 1.18 0.00 0.00 103 G 9.04 3.71 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 0.00 0.00 0.00 104 V 7.82 4.10 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 0.70 0.00 0.00 0.94 0.00 0.00 105 Y 8.84 4.33 0.00 3.10 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 0.00 106 I 7.64 4.48 1.63 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.70 0.76 0.00 0.00 107 L 8.22 3.72 0.00 1.16 1.20 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.56 3.89 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 1.17 0.00 0.00 109 S 7.53 4.52 0.00 3.95 3.87 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 0.00 110 N 8.02 5.16 0.00 2.76 2.73 0.00 0.00 6.37 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 0.00 111 T 8.10 4.02 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 1.24 0.00 0.00 112 S 7.80 4.32 0.00 3.70 3.52 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 0.00 113 Q 7.72 4.72 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.46 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 114 Y 8.70 4.42 0.00 2.52 2.74 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 0.00 115 D 8.85 5.45 0.00 2.90 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 0.00 116 T 8.40 5.16 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 1.22 0.00 0.00 117 Y 8.62 5.19 0.00 3.09 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 0.00 118 C 8.71 5.13 0.00 1.23 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 0.00 119 F 9.64 5.30 0.00 3.06 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 0.00 120 N 8.77 4.95 0.00 2.80 2.51 0.00 0.00 6.65 7.62 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 0.00 121 A 8.59 3.84 1.40 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 0.00 0.00 122 S 8.69 4.43 0.00 3.89 3.87 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 0.00 123 A 7.26 4.14 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 0.00 124 P 0.00 4.46 0.00 2.13 1.94 0.00 3.49 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 2.03 2.01 0.00 125 P 0.00 4.89 0.00 2.20 2.16 0.00 3.69 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 1.98 1.99 0.00 126 E 8.08 4.75 0.00 1.88 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 2.19 2.26 0.00 127 E 8.60 4.24 0.00 1.59 1.61 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 0.00 1.78 1.47 0.00 128 D 8.80 4.56 0.00 2.63 2.30 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 0.00 129 C 8.64 4.72 0.00 2.93 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 0.00 130 T 7.68 3.83 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 1.13 0.00 0.00 131 S 8.57 4.24 0.00 3.84 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 0.00 132 V 8.83 3.97 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 0.89 0.00 0.00 0.72 0.00 0.00 133 T 8.16 2.95 4.04 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 0.84 0.00 0.00 134 D 7.16 4.25 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.83 3.96 0.00 1.51 1.43 -0.48 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.47 0.00 2.21 2.14 0.00 3.76 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 2.01 2.00 0.00 137 N 8.21 5.14 0.00 2.93 2.90 0.00 0.00 6.93 7.69 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 0.00 138 A 7.77 4.34 1.18 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 0.00 0.00 139 F 7.79 5.06 0.00 3.14 3.14 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 0.00 140 D 9.01 4.70 0.00 2.67 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 0.00 141 G 8.06 4.11 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 0.00 0.00 0.00 142 P 0.00 4.68 0.00 2.18 2.17 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 143 I 7.55 4.30 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 0.96 0.00 0.00 144 T 8.68 4.45 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 1.22 0.00 0.00 145 I 9.18 4.88 1.88 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 1.34 0.70 0.92 0.00 0.00 146 T 9.02 5.12 4.43 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 1.24 0.00 0.00 147 I 8.91 4.97 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 1.13 0.00 0.00 148 V 9.02 4.87 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 1.20 0.00 0.00 0.96 0.00 0.00 149 N 8.69 5.39 0.00 2.95 2.79 0.00 0.00 6.87 7.66 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 0.00 150 R 8.69 4.05 0.00 1.94 2.13 0.00 3.10 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 151 D 8.07 4.43 0.00 2.83 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 0.00 152 G 8.23 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 0.00 153 T 7.85 3.88 4.11 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 0.57 0.00 0.00 154 R 8.31 4.68 0.00 1.60 1.85 0.00 3.18 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 155 Y 8.80 4.54 0.00 3.02 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 0.00 156 V 8.52 5.01 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 0.85 0.00 0.00 0.98 0.00 0.00 157 Q 9.11 4.68 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 158 K 8.15 4.89 0.00 1.77 1.71 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.53 7.81 159 G 8.61 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 0.00 160 E 7.98 4.93 0.00 1.93 1.44 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 2.27 1.97 0.00 161 Y 7.45 4.10 0.00 2.87 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 0.00 162 R 7.66 4.31 0.00 1.66 1.78 0.00 2.95 0.00 0.00 3.01 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.00 163 T 8.84 4.56 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 164 N 7.97 4.80 0.00 2.76 2.89 0.00 0.00 6.95 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 0.00 165 P 0.00 4.31 0.00 2.30 2.31 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 166 E 8.68 4.02 0.00 2.05 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 2.31 2.41 0.00 167 D 7.96 4.56 0.00 2.82 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 0.00 168 I 7.59 3.84 1.90 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 1.47 0.43 0.92 0.00 0.00 169 Y 8.19 4.11 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 * Residues marked with a * may have inaccurate shift predictions.