NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4437 8.0333 110.9599 60.8997 70.1699 173.0494 3 L 3.7273 8.2846 123.2390 54.1832 42.1993 175.1633 4 H 4.3947 9.4984 124.2431 55.0307 30.9974 175.2642 5 K 3.5291 8.6370 128.9518 59.6297 31.9016 176.6529 6 E 4.5718 8.1158 114.4599 56.5139 29.7399 176.1355 7 R 5.0198 8.7999 119.6403 55.6275 31.4659 175.9234 8 R 4.3377 7.9924 118.8605 55.4389 28.8627 175.8724 9 I 3.1720 8.2550 124.1506 63.8803 38.0485 177.2412 10 G 3.5179 7.8585 105.6022 47.8439 0.0000 175.3483 11 R 3.8805 7.8651 121.5188 58.9415 30.0921 178.3885 12 L 3.8632 8.1018 119.2819 57.7749 41.6304 179.7219 13 S 4.0606 7.9974 114.1744 61.0453 62.8893 176.8841 14 V 3.5669 7.6870 121.8067 65.9230 31.1847 177.8096 15 L 3.9379 7.8048 117.5025 57.8061 41.8600 179.0611 16 L 4.3408 7.7683 121.3456 57.6659 41.8521 178.8678 17 L 4.0412 7.6056 118.6626 57.4433 41.9963 177.8480 18 L 4.4224 7.4395 116.5782 54.5336 42.2354 176.5649 19 N 4.8428 8.0763 121.2627 53.2508 36.8728 177.9084 *24 S 4.2584 8.6049 120.4836 58.1125 64.5369 173.1645 25 T 3.4872 7.8379 116.3901 64.4911 65.5797 173.0500 26 Q 4.1252 7.6590 121.2916 58.2144 29.4247 177.0189 27 V 3.5926 7.6381 119.1397 66.2754 31.7131 176.8848 28 E 3.9815 8.4105 119.6181 59.4692 29.4226 178.5396 29 E 3.9425 8.1375 118.4337 59.3662 29.8512 178.5179 30 L 4.2360 7.9177 118.9408 58.0208 41.5945 179.4757 31 E 4.7307 8.9968 120.6889 59.0889 29.1929 179.5550 32 R 3.9719 8.4246 117.5509 59.2197 30.2144 178.0510 33 D 4.6431 8.0070 115.7323 54.7643 40.9846 177.2264 34 G 3.8886 8.2134 108.9270 44.4718 0.0000 174.1392 35 W 4.6651 8.1461 120.3945 56.4999 30.8173 175.4713 36 K 4.8075 9.0828 123.4063 55.2785 32.9717 175.8428 37 V 5.0363 8.4625 124.6870 61.4064 34.7578 174.2960 38 C 4.8143 8.7616 125.1485 58.1557 35.1283 172.6030 39 L 5.1217 8.3242 125.2451 53.2986 45.0961 175.6451 40 G 3.5198 7.6585 108.0926 45.4512 0.0000 171.8197 41 K 5.2072 8.0613 117.9693 55.3506 35.7880 176.2367 42 V 4.5948 9.1079 121.1747 60.7588 35.0040 172.9836 43 G 4.4372 8.3269 109.6230 44.6754 0.0000 171.2235 44 S 4.6668 8.4115 116.6534 58.5446 67.0123 176.6871 45 M 4.5495 8.1928 119.1944 54.8387 32.7840 175.1728 46 D 5.0433 8.3408 120.4498 51.8514 43.0721 176.4836 47 A 3.9824 8.7345 127.4650 55.4893 18.3017 178.6905 48 H 4.1806 8.1925 112.9808 58.8106 28.4452 177.8465 49 K 3.9963 7.7329 121.2981 59.0112 31.8410 179.5218 50 V 3.5367 7.4750 118.3317 65.9269 31.5622 178.0035 51 I 3.5893 7.8651 119.4204 64.2080 36.8602 178.3164 52 A 3.9732 8.2158 121.4786 55.0931 18.1520 179.5779 53 A 3.9927 7.9101 119.2786 55.3501 18.4735 179.9766 54 I 2.9632 7.2111 117.8732 64.0128 36.9779 178.3360 55 E 3.8790 8.0285 120.1023 59.5731 29.4996 178.7654 56 T 3.8502 8.2446 115.8672 66.8578 68.6253 176.3723 57 A 4.0891 8.3205 122.5854 55.4508 18.3194 179.9083 58 S 4.1893 8.1993 113.6755 61.5762 63.0036 177.0535 59 K 4.1927 8.3776 121.4217 59.2144 31.6761 179.6075 60 K 4.0192 8.2382 118.3909 59.4930 32.0308 178.5122 61 S 4.2143 8.0417 111.2501 59.1732 63.2397 175.0986 62 G 3.9261 7.9132 108.9684 45.9008 0.0000 174.8780 63 V 3.8021 7.9749 121.6854 64.7783 31.6933 176.0761 64 I 4.8761 7.2610 110.3920 58.4830 40.6371 174.6454 65 Q 4.1578 9.9418 122.0823 56.2427 28.9234 177.4798 66 S 4.2966 8.6723 118.2034 60.6106 63.3848 174.4073 67 E 4.3956 7.9957 118.6348 55.7983 30.8692 176.4270 68 G 4.0211 8.5231 108.4365 46.2327 0.0000 173.1611 69 Y 4.6936 8.2237 117.1840 59.9173 39.8177 177.3387 70 R 3.5498 7.7290 118.2405 59.7919 30.6714 177.7760 71 E 4.0040 8.0618 117.9244 59.1878 29.5543 179.5368 72 S 4.1282 7.9452 115.1332 61.6200 63.1066 175.7821 73 H 3.7688 8.3864 121.0299 59.1198 29.4931 177.1139 74 A 3.8929 7.7348 122.2453 55.0952 18.1480 179.4019 75 L 3.8907 7.8402 118.7277 58.2661 42.0637 178.4525 76 Y 3.9523 8.2674 119.8719 61.1726 38.6380 177.9989 77 H 4.0668 8.1610 116.3957 58.5488 28.7742 177.6642 78 A 3.9899 8.0259 122.8049 55.4058 18.1477 179.8682 79 T 3.7063 8.1798 114.6686 66.8467 68.2579 176.7553 80 M 3.8274 7.5623 119.6704 58.4998 32.4042 178.3117 81 E 4.1531 8.4336 118.5899 59.5020 29.7720 179.3960 82 A 4.1587 8.0484 120.7212 55.0546 18.3261 179.6187 83 L 4.0096 8.0248 117.3236 57.6857 41.5535 179.4150 84 H 4.2007 8.0608 116.5800 58.7776 28.4275 177.9604 85 G 3.7598 8.0413 106.0083 47.6183 0.0000 175.5293 86 V 4.2872 7.9425 120.9267 65.2493 31.7293 177.4528 87 T 4.1518 8.3934 109.0304 61.3101 69.9997 174.6532 88 R 3.7742 8.9782 120.3353 56.3217 28.1815 174.3507 89 G 3.6111 7.2537 112.7097 45.1076 0.0000 172.8848 90 E 4.4968 7.5569 122.6426 53.9903 32.1974 177.1108 91 M 4.4357 8.3491 127.2831 54.2191 30.8723 175.3998 92 L 4.9297 7.2745 118.4834 52.8936 47.0292 175.1522 93 L 4.4432 8.3901 117.9768 54.8032 44.1711 178.8590 94 G 3.8672 6.9100 112.9152 49.3186 0.0000 176.1042 95 S 4.1462 8.1196 112.8365 60.0056 62.9761 174.6682 96 L 4.5919 7.9957 120.9732 53.9835 41.8783 175.7858 97 L 3.6711 7.9489 118.2013 55.8841 40.9541 173.9262 98 R 4.9713 7.6827 110.3732 54.7265 33.1354 174.2172 99 T 4.8778 8.9914 114.3571 60.3091 71.5392 172.7411 100 V 4.8297 8.7110 124.4583 59.7561 35.1869 174.8220 101 G 4.2530 9.1500 110.4896 44.7339 0.0000 171.6784 102 L 5.3803 9.1674 126.4241 52.3682 46.0726 175.7496 103 R 5.0783 8.8254 120.9181 54.5862 33.2540 174.2933 104 F 5.6415 8.9769 119.7146 55.2784 42.0534 173.2321 105 A 5.2583 9.1088 120.4438 50.3608 23.0628 175.2298 106 V 4.8355 9.1367 120.6140 61.0170 34.8945 174.0260 107 L 5.2649 8.9051 129.4481 53.2207 45.2776 174.8626 108 R 5.2715 10.1090 125.9203 53.5563 33.5808 174.9809 109 G 4.0034 8.4206 112.2037 46.4676 0.0000 170.0148 110 N 5.5227 8.0384 119.3551 51.8640 39.3945 173.0370 111 P 4.9360 0.0000 0.0000 62.2304 32.1882 174.8562 112 Y 4.8170 8.4297 117.3555 56.4975 39.7532 175.7010 113 E 4.1536 9.0224 121.5123 59.2133 29.8265 178.1534 114 S 4.4192 7.9894 114.0449 57.4284 63.1005 173.9781 115 E 4.1841 8.7889 127.2927 57.6316 29.7458 177.6889 116 A 4.1675 7.7217 120.0621 54.8813 18.5934 178.3383 117 E 4.1167 8.0473 114.4938 56.6876 29.9106 178.6693 118 G 3.9763 7.4786 107.9805 45.4234 0.0000 172.7087 119 D 5.1178 8.3115 117.3181 53.9971 42.6186 175.7860 120 W 5.4030 9.3386 120.3001 55.0642 34.1783 173.9805 121 I 5.3203 9.6186 121.3764 59.3452 41.3280 173.7517 122 A 5.2932 9.2245 129.9672 50.0854 22.2442 174.9776 123 V 4.7985 8.9292 122.2337 61.1849 34.3680 174.4131 124 S 5.0975 9.1290 124.1831 56.6237 66.1174 173.1401 125 L 5.2943 8.8635 124.0383 53.1776 45.2516 175.0336 126 Y 5.1355 8.3330 123.3008 55.8067 42.5317 173.8271 127 G 3.7679 6.9781 114.7403 46.4237 0.0000 172.1816 128 T 5.0250 8.0141 112.9688 59.7030 72.0494 173.1271 129 I 4.9211 8.5244 122.2129 59.0944 41.4622 175.2574 130 G 3.9895 7.8219 112.0243 45.8109 0.0000 172.4520 131 A 4.5891 7.9752 122.2043 51.4085 19.3784 177.0382 132 P 4.6068 0.0000 0.0000 60.9828 29.7246 177.4629 133 I 4.1500 7.2991 118.3857 59.9976 41.1107 174.5813 134 K 3.8983 8.7498 126.5742 58.4415 32.2932 174.3194 135 G 4.2163 8.9941 113.8338 45.8389 0.0000 174.2679 136 L 4.5398 7.7320 121.3469 52.4644 39.6798 175.7419 137 E 5.1685 7.7343 118.1335 55.9143 32.8998 174.4512 138 H 5.0411 8.6598 115.2742 53.9466 32.6821 172.4753 139 E 4.7391 8.8180 117.8132 57.0353 30.3926 176.5430 140 T 4.9008 8.7558 115.1986 60.9869 71.4015 172.2848 141 F 5.3167 8.7758 127.1729 57.3130 42.8646 173.5079 142 G 4.5996 7.9797 109.7454 46.0325 0.0000 172.2057 143 V 4.9543 8.4922 122.9663 60.8495 34.7507 174.6858 144 G 4.3336 9.2024 114.1427 44.5104 0.0000 171.4684 145 I 5.4091 8.3532 123.2611 59.6695 40.8888 174.1448 146 N 5.1829 9.2466 122.8541 52.7203 42.7995 173.0769 147 H 3.7453 8.2368 118.6391 54.8946 30.0010 174.9572 148 I 4.0152 7.9429 119.9659 61.4558 37.7733 174.3809 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 2 T 8.03 4.44 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 1.24 0.00 0.00 3 L 8.28 3.73 0.00 1.60 1.42 0.76 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.50 4.39 0.00 3.18 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.64 3.53 0.00 1.68 1.78 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.48 7.81 6 E 8.12 4.57 0.00 2.15 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 2.29 2.34 0.00 7 R 8.80 5.02 0.00 1.89 2.17 0.00 2.99 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 8 R 7.99 4.34 0.00 1.80 1.82 0.00 3.10 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 9 I 8.25 3.17 1.96 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.92 0.00 0.00 10 G 7.86 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 0.00 0.00 0.00 11 R 7.87 3.88 0.00 1.84 2.03 0.00 3.15 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 12 L 8.10 3.86 0.00 1.36 1.36 0.64 0.66 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 13 S 8.00 4.06 0.00 3.99 4.07 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 14 V 7.69 3.57 2.29 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 1.29 0.00 0.00 1.14 0.00 0.00 15 L 7.80 3.94 0.00 1.73 1.69 0.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.77 4.34 0.00 1.78 1.78 0.94 0.39 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 17 L 7.61 4.04 0.00 1.86 1.86 0.97 1.09 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 18 L 7.44 4.42 0.00 1.59 1.52 0.80 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.08 4.84 0.00 2.87 2.25 0.00 0.00 6.79 7.16 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 *24 S 8.60 4.26 0.00 3.85 3.92 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 25 T 7.84 3.49 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 1.27 0.00 0.00 26 Q 7.66 4.13 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 27 V 7.64 3.59 2.09 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 1.05 0.00 0.00 0.92 0.00 0.00 28 E 8.41 3.98 0.00 2.25 1.96 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 2.33 2.49 0.00 29 E 8.14 3.94 0.00 2.10 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 2.58 2.44 0.00 30 L 7.92 4.24 0.00 1.98 1.79 0.82 0.75 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 31 E 9.00 4.73 0.00 2.16 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 2.41 2.50 0.00 32 R 8.42 3.97 0.00 1.93 2.02 0.00 3.18 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 33 D 8.01 4.64 0.00 3.06 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 34 G 8.21 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 0.00 0.00 0.00 35 W 8.15 4.67 0.00 3.40 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 36 K 9.08 4.81 0.00 1.89 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.47 7.81 37 V 8.46 5.04 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 0.78 0.00 0.00 1.01 0.00 0.00 38 C 8.76 4.81 0.00 3.09 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 39 L 8.32 5.12 0.00 1.43 1.36 0.88 0.87 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 40 G 7.66 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 0.00 0.00 0.00 41 K 8.06 5.21 0.00 1.67 1.62 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.18 1.37 7.81 42 V 9.11 4.59 2.29 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 0.86 0.00 0.00 0.96 0.00 0.00 43 G 8.33 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 0.00 0.00 0.00 0.00 44 S 8.41 4.67 0.00 3.83 3.63 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 0.00 0.00 0.00 0.00 45 M 8.19 4.55 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 46 D 8.34 5.04 0.00 2.44 2.29 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 47 A 8.73 3.98 1.29 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 48 H 8.19 4.18 0.00 3.43 3.61 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.73 4.00 0.00 1.91 1.85 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.16 7.81 50 V 7.47 3.54 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 0.96 0.00 0.00 0.88 0.00 0.00 51 I 7.87 3.59 2.04 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 1.31 0.57 0.97 0.00 0.00 52 A 8.22 3.97 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 53 A 7.91 3.99 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 54 I 7.21 2.96 1.67 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.09 0.66 0.00 0.00 55 E 8.03 3.88 0.00 2.18 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 0.00 2.33 2.38 0.00 56 T 8.24 3.85 4.28 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 1.24 0.00 0.00 57 A 8.32 4.09 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 0.00 0.00 0.00 0.00 0.00 58 S 8.20 4.19 0.00 4.13 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 59 K 8.38 4.19 0.00 1.82 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 60 K 8.24 4.02 0.00 1.88 1.90 0.00 1.61 0.00 0.00 1.94 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.45 7.81 61 S 8.04 4.21 0.00 4.04 4.08 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 62 G 7.91 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 63 V 7.97 3.80 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 0.88 0.00 0.00 1.00 0.00 0.00 64 I 7.26 4.88 1.96 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 1.44 0.86 0.93 0.00 0.00 65 Q 9.94 4.16 0.00 1.93 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 66 S 8.67 4.30 0.00 3.88 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 67 E 8.00 4.40 0.00 1.96 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 2.26 2.24 0.00 68 G 8.52 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 69 Y 8.22 4.69 0.00 2.92 2.94 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 70 R 7.73 3.55 0.00 1.91 1.84 0.00 3.21 0.00 0.00 3.31 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 71 E 8.06 4.00 0.00 2.04 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 0.00 2.37 2.38 0.00 72 S 7.95 4.13 0.00 4.08 3.97 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 73 H 8.39 3.77 0.00 1.89 3.09 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.73 3.89 1.29 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 75 L 7.84 3.89 0.00 1.80 1.84 0.90 0.82 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 76 Y 8.27 3.95 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.16 4.07 0.00 3.20 3.30 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.03 3.99 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 79 T 8.18 3.71 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 1.01 0.00 0.00 80 M 7.56 3.83 0.00 1.88 2.15 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.08 0.00 81 E 8.43 4.15 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 2.35 2.62 0.00 82 A 8.05 4.16 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 83 L 8.02 4.01 0.00 1.80 1.64 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.06 4.20 0.00 3.52 3.37 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.04 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 86 V 7.94 4.29 2.18 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 0.76 0.00 0.00 0.90 0.00 0.00 87 T 8.39 4.15 4.47 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 1.21 0.00 0.00 88 R 8.98 3.77 0.00 1.90 2.01 0.00 3.20 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 1.62 1.88 0.00 89 G 7.25 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.56 4.50 0.00 1.91 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 2.20 2.19 0.00 91 M 8.35 4.44 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 92 L 7.27 4.93 0.00 1.60 1.49 0.92 0.99 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 93 L 8.39 4.44 0.00 1.76 1.52 0.97 0.83 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 94 G 6.91 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 0.00 0.00 0.00 95 S 8.12 4.15 0.00 3.99 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 96 L 8.00 4.59 0.00 1.71 1.68 0.92 0.88 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 97 L 7.95 3.67 0.00 1.69 1.67 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.68 4.97 0.00 1.90 1.80 0.00 3.01 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 99 T 8.99 4.88 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 1.23 0.00 0.00 100 V 8.71 4.83 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 0.67 0.00 0.00 0.97 0.00 0.00 101 G 9.15 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 0.00 102 L 9.17 5.38 0.00 1.71 1.57 0.90 0.56 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 0.00 103 R 8.83 5.08 0.00 1.92 1.78 0.00 3.03 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 104 F 8.98 5.64 0.00 3.08 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 0.00 105 A 9.11 5.26 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.14 4.84 2.17 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 1.02 0.00 0.00 1.03 0.00 0.00 107 L 8.91 5.26 0.00 1.67 1.35 0.79 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 108 R 10.11 5.27 0.00 2.02 1.85 0.00 3.57 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 109 G 8.42 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 0.00 110 N 8.04 5.52 0.00 2.84 2.69 0.00 0.00 6.85 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 0.00 111 P 0.00 4.94 0.00 1.91 2.39 0.00 4.05 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.72 0.00 112 Y 8.43 4.82 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 9.02 4.15 0.00 2.01 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 0.00 2.44 2.53 0.00 114 S 7.99 4.42 0.00 3.88 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 0.00 115 E 8.79 4.18 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 116 A 7.72 4.17 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 0.00 117 E 8.05 4.12 0.00 2.32 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 0.00 2.28 1.93 0.00 118 G 7.48 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 0.00 0.00 0.00 119 D 8.31 5.12 0.00 2.65 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 0.00 120 W 9.34 5.40 0.00 3.55 3.37 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 0.00 121 I 9.62 5.32 1.94 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 1.21 1.74 1.01 0.00 0.00 122 A 9.22 5.29 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.93 4.80 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 0.96 0.00 0.00 0.90 0.00 0.00 124 S 9.13 5.10 0.00 3.71 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.86 5.29 0.00 1.38 1.46 0.84 0.68 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 0.00 126 Y 8.33 5.14 0.00 3.07 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 0.00 127 G 6.98 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 0.00 128 T 8.01 5.02 4.18 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 1.13 0.00 0.00 129 I 8.52 4.92 1.82 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 1.17 1.55 0.84 0.00 0.00 130 G 7.82 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 0.00 0.00 0.00 131 A 7.98 4.59 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 0.00 132 P 0.00 4.61 0.00 2.05 2.03 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 133 I 7.30 4.15 1.86 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 1.29 0.41 0.91 0.00 0.00 134 K 8.75 3.90 0.00 1.68 1.76 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 135 G 8.99 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 0.00 0.00 0.00 0.00 136 L 7.73 4.54 0.00 1.73 1.63 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 137 E 7.73 5.17 0.00 1.98 1.84 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 2.24 2.26 0.00 138 H 8.66 5.04 0.00 3.22 3.43 0.00 5.46 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.82 4.74 0.00 2.01 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 0.00 2.46 2.40 0.00 140 T 8.76 4.90 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 1.19 0.00 0.00 141 F 8.78 5.32 0.00 3.21 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 0.00 142 G 7.98 4.60 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 0.00 0.00 0.00 143 V 8.49 4.95 2.17 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 0.86 0.00 0.00 0.98 0.00 0.00 144 G 9.20 4.33 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 0.00 145 I 8.35 5.41 2.00 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 1.30 0.77 1.18 0.00 0.00 146 N 9.25 5.18 0.00 2.84 2.58 0.00 0.00 6.87 7.45 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 0.00 147 H 8.24 3.75 0.00 2.16 1.31 0.00 5.56 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.94 4.02 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.72 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.