NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7853 8.4449 120.3935 54.9854 32.2496 172.3692 6 L 4.3361 7.5847 119.7894 51.9424 43.2149 175.2087 7 D 4.9380 8.9383 124.2281 51.9574 43.0225 176.2501 8 D 4.4162 8.4498 117.2534 57.1209 40.5916 178.5502 9 L 3.9149 8.0637 121.4116 58.2196 42.1131 178.4061 10 D 4.3785 8.3315 118.3452 57.7553 40.7945 179.1410 11 R 3.9145 7.8086 118.0871 59.2311 30.0839 178.9424 12 N 4.3643 8.2530 116.4336 56.1328 38.5336 177.3729 13 I 3.6532 7.8979 121.2932 64.6141 37.2830 178.2593 14 L 3.9631 8.0590 119.6136 58.0883 41.1003 180.0543 15 R 3.9098 8.0707 117.8121 59.1475 29.9342 179.1272 16 L 4.0035 7.8403 118.6671 57.8604 41.4472 179.6153 17 L 4.1803 7.8401 117.5217 57.3867 41.5495 179.3651 18 K 4.0747 7.8117 118.2338 59.0229 31.9763 179.2701 19 K 4.4067 7.5516 117.8488 58.0581 32.7369 177.1758 20 D 4.3977 8.2862 121.9006 52.8686 42.0570 175.0008 21 A 4.4231 8.4670 128.0482 53.1778 18.6669 178.3545 22 R 4.1383 7.8656 115.1420 57.5788 30.5048 177.0918 23 L 4.0986 7.5349 118.5540 55.2869 41.9224 177.9782 24 T 4.3131 8.6600 115.0607 60.6648 71.3176 175.6807 25 I 3.6538 8.2040 121.7335 64.7134 36.9638 178.7863 26 S 4.1310 7.9680 114.3869 61.3689 62.8118 176.1440 27 E 3.9271 7.7723 120.9390 59.3001 29.2566 179.4397 28 L 3.9796 7.9370 118.9684 57.5370 41.7083 179.3415 29 S 4.1648 8.1229 113.4990 61.4867 62.1046 176.2138 30 E 4.0125 8.1439 119.0220 59.5376 29.4639 178.7635 31 Q 4.1515 8.3132 118.4011 57.6390 28.9353 177.3423 32 L 4.4757 8.2166 117.4585 53.0592 42.7043 176.2046 33 K 3.8940 7.8253 116.9907 57.6945 30.2442 175.0285 34 K 4.7106 7.6917 114.7602 53.2928 35.7358 175.4818 35 P 4.4069 0.0000 0.0000 62.6846 33.2213 177.7017 36 E 3.9370 8.6615 120.2481 59.3598 29.3278 179.6994 37 S 3.5327 7.8989 113.8337 61.6763 62.8947 176.1890 38 T 3.9341 7.8233 119.6848 66.2237 68.1666 176.1512 39 I 3.6502 7.3973 121.0183 64.6000 37.1115 177.6589 40 H 4.0373 8.0734 119.0689 59.7369 29.6805 177.2035 41 F 4.5291 7.8924 119.4312 60.5063 38.6693 178.0591 42 R 3.9991 8.3603 117.9671 59.2819 29.9125 179.0994 43 I 3.7340 8.1511 119.9495 64.3367 37.1737 178.2618 44 K 3.9421 8.3286 120.5372 59.5641 31.9710 178.4469 45 K 3.9435 8.0469 119.2630 59.7288 32.0785 178.7434 46 L 4.0839 8.2080 119.1246 57.6570 41.3412 179.5096 47 Q 4.1150 8.2308 118.4514 58.6606 28.6248 178.2786 48 E 3.9455 8.3509 119.5427 59.7411 29.8157 178.4765 49 R 4.2204 8.0659 115.4419 55.7493 29.5212 179.6425 50 G 4.0151 7.8566 105.5828 47.0118 0.0000 175.3677 51 V 3.5855 7.9113 120.8255 65.3893 31.5674 176.4870 52 I 4.0614 7.5323 121.6011 60.2422 36.8317 174.9195 53 E 4.2143 8.6420 127.2712 58.2851 30.1176 176.5453 54 R 4.6105 7.3975 114.1842 55.6434 32.8264 172.8057 55 Y 4.5128 8.8458 122.0944 56.7929 39.4550 174.9095 56 T 4.7488 8.2463 117.6825 60.7704 70.8436 171.9962 57 I 4.6954 8.1563 114.0002 59.0077 40.2990 174.3434 58 I 4.5041 8.1422 122.3366 59.9762 38.4006 175.6300 59 L 4.2680 8.5975 127.3739 54.6756 43.1777 176.5840 60 G 4.4695 8.1010 109.0171 45.0920 0.0000 172.4034 61 E 3.6216 8.9868 121.3837 58.0457 28.4512 176.1957 62 Q 4.3464 8.8210 125.0719 57.7208 28.5802 176.1036 63 L 4.5828 7.7252 117.3330 54.5525 43.0894 176.4874 64 K 4.2899 7.4515 118.3889 54.6006 32.7746 175.2230 65 P 4.6019 0.0000 0.0000 62.6939 31.9407 176.7086 66 K 4.1438 8.6180 121.6218 58.8790 32.8976 177.2814 67 H 4.9390 8.6363 117.6138 53.7769 31.6799 173.2776 68 L 5.3356 8.6320 122.1942 52.8248 45.3376 175.2506 69 A 5.1774 9.0097 123.8819 50.0935 22.7583 174.5398 70 L 4.9891 9.1888 124.2176 53.9824 44.1606 175.3362 71 I 5.0652 9.1540 126.6722 59.4849 40.9204 174.4184 72 V 4.8641 8.8796 126.6665 60.9773 34.3410 173.8694 73 L 5.1975 9.0370 129.4825 53.1473 45.6034 174.3893 74 E 5.1067 9.4633 126.8713 54.5345 32.0160 175.3024 75 V 4.5231 8.3505 120.4232 60.1116 33.0478 176.3890 76 G 3.7516 9.3407 111.2489 46.9487 0.0000 174.5596 *82 D 4.8785 8.2711 120.6950 54.0869 43.3358 177.1417 83 F 4.4199 8.3751 116.9014 60.0589 38.6810 177.3837 84 L 4.0674 7.7080 120.7999 58.1910 41.9825 178.1163 85 E 3.9560 8.4189 118.8341 59.8582 29.3911 179.0841 86 R 4.0129 7.9935 117.2122 59.1967 30.1835 178.2898 87 Y 4.3235 8.2975 119.4236 60.8307 38.8383 177.7211 88 I 3.5862 7.8641 120.8273 64.4594 37.2018 178.1352 89 S 4.0466 8.0873 113.8675 61.5851 62.1381 175.7187 90 Y 4.0785 8.1094 121.9079 60.8474 38.5748 177.9901 91 I 2.9833 7.6058 121.3081 64.1465 37.1137 178.6571 92 S 4.0484 8.0868 115.4134 61.1692 62.7959 176.6374 93 S 4.0931 7.9989 117.9336 61.2562 62.5713 176.7192 94 T 3.7547 7.3337 118.8163 66.4670 68.4344 176.3566 95 L 4.1080 7.8859 120.9676 57.8938 41.3905 179.7566 96 S 4.1356 8.0208 114.0690 61.2900 62.8233 175.9800 97 A 4.1620 7.6085 121.5035 52.4549 18.5236 177.2352 98 L 4.5270 7.3022 118.4685 52.3301 43.0689 174.6448 99 P 4.2403 0.0000 0.0000 64.2012 31.9709 176.6709 100 G 3.5834 8.9079 108.8148 45.4929 0.0000 172.5091 101 V 4.5522 7.1974 119.1977 61.4073 31.6711 175.1626 102 L 4.5510 8.8295 128.3885 55.9201 43.2591 177.2990 103 F 4.8268 7.9138 120.5609 56.7410 42.9512 173.3104 104 V 4.8392 7.5775 124.6300 61.1047 34.4065 174.1493 105 A 4.5862 8.8209 128.1529 50.1600 22.8638 174.9269 106 K 4.7625 8.5552 121.4830 55.7505 33.9896 176.1314 107 S 4.3668 8.8394 120.2309 56.7490 65.1360 173.2436 108 G 3.8681 8.9719 117.2531 47.1739 0.0000 174.7215 109 E 4.1891 9.0899 120.5069 56.7357 30.2832 177.6046 110 D 5.5825 7.1366 126.4449 54.8525 39.6256 175.6959 111 K 5.1923 7.5146 118.3962 54.5466 36.7686 174.7604 112 I 5.0068 8.5188 123.1542 59.6545 40.5421 174.4402 113 I 5.0545 8.9358 127.5699 59.6692 39.5009 174.6186 114 A 5.3120 9.2010 128.0543 50.0744 22.9409 174.2003 115 L 5.1529 9.0423 123.2825 53.4038 44.2949 175.4422 116 V 4.9231 8.8985 125.9287 61.1758 35.1722 174.4273 117 G 4.4181 9.0689 112.9569 44.8125 0.0000 171.8292 118 K 4.8094 9.0122 122.8308 54.9008 36.9171 176.6041 119 N 4.7214 8.4518 116.7479 53.8207 39.3034 175.8244 120 N 4.9710 7.6864 116.6382 50.8257 42.9355 174.5979 121 K 3.9290 8.5088 127.8006 59.4886 32.3780 178.6833 122 D 4.3762 8.1070 118.9527 56.8606 40.8533 177.9879 123 E 3.9795 8.1892 120.1035 59.2162 29.5991 178.6979 124 L 4.0193 8.0211 120.4614 57.9271 41.8988 179.0144 125 V 3.5351 7.7767 117.5068 65.9838 31.8682 177.3451 126 K 3.9696 8.4942 119.7425 59.7573 32.0448 178.4544 127 F 4.0705 8.4217 120.7040 61.3100 39.3636 176.9913 128 I 3.7820 7.9675 119.5629 63.8312 36.6235 177.2477 129 E 4.4937 7.7261 116.2218 55.8633 31.7889 176.2571 130 E 4.2271 8.0813 116.8908 57.5248 29.9758 176.7757 131 N 4.7054 7.7021 113.4055 52.9290 40.7201 174.5766 132 I 4.2819 7.2885 116.2295 63.0838 39.1457 177.4360 133 T 4.0956 8.3897 109.3820 63.0857 68.5897 175.5333 134 S 4.5041 7.6447 115.8350 58.8921 64.0975 174.5103 135 I 3.7986 7.5219 123.2099 60.7549 37.0818 174.1960 136 P 4.3223 0.0000 0.0000 63.8978 31.5434 175.9028 137 N 4.2155 8.9471 117.6316 53.4894 36.1604 174.1503 138 L 3.7972 7.9481 114.0006 55.9849 38.8373 173.5921 139 K 4.2721 8.6605 122.0050 58.3879 33.5562 176.7540 140 H 5.2715 7.9110 115.3818 54.1585 33.5207 172.4004 141 I 5.0787 8.2994 114.0031 59.4758 40.5276 174.1275 142 Q 4.4919 9.3749 125.0719 53.9220 31.5857 174.4070 143 I 4.5365 7.8549 123.7658 59.5430 39.9468 175.5814 144 F 4.8883 9.3129 125.9743 54.4891 40.3781 172.0148 145 P 4.7578 0.0000 0.0000 62.6540 32.1712 175.7720 146 I 4.2924 8.6305 126.1868 60.4939 37.1950 175.8335 147 T 4.2339 8.6982 118.5166 63.4222 69.5936 174.8628 148 E 4.6918 7.7081 116.6942 54.4599 32.5276 173.9194 149 I 4.3831 8.1435 120.9049 59.8227 38.8238 175.9211 150 K 4.2534 8.6379 124.6988 57.6256 32.8692 177.1673 151 K 4.4714 7.4397 117.5528 55.7497 35.2943 175.5518 152 G 3.8472 8.8259 112.5592 46.7404 0.0000 175.1493 153 E 3.9367 8.4103 121.8001 59.5071 29.3840 178.5486 154 D 4.1839 8.0511 117.3839 56.0737 40.7734 177.9540 155 L 4.0354 7.9948 121.9409 58.5599 41.9296 178.9205 156 T 3.9697 7.5465 115.1644 66.8460 68.4814 176.8142 157 G 3.9101 8.1127 108.2106 47.0535 0.0000 175.3401 158 F 4.2012 8.1083 122.1049 61.2787 39.6367 177.0702 159 L 3.8747 8.1768 116.5354 55.4563 41.9869 177.5036 160 A 4.0155 7.5852 122.4873 52.0535 18.8401 176.4585 161 E 4.4177 8.4580 122.2856 55.3213 31.9959 175.9817 162 V 3.6667 8.2288 120.5951 63.1712 32.1928 171.0110 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 H 8.44 4.79 0.00 3.10 3.24 0.00 5.70 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 6 L 7.58 4.34 0.00 1.70 1.53 0.86 0.49 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 7 D 8.94 4.94 0.00 2.92 2.83 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 8 D 8.45 4.42 0.00 2.74 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 9 L 8.06 3.91 0.00 1.78 1.86 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.33 4.38 0.00 2.89 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 11 R 7.81 3.91 0.00 1.80 1.96 0.00 3.11 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 12 N 8.25 4.36 0.00 2.94 2.85 0.00 0.00 6.99 7.20 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 13 I 7.90 3.65 2.03 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 1.52 0.99 0.92 0.00 0.00 14 L 8.06 3.96 0.00 1.77 1.69 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.07 3.91 0.00 2.02 1.95 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 16 L 7.84 4.00 0.00 1.84 1.71 0.91 0.65 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 17 L 7.84 4.18 0.00 1.57 1.66 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.81 4.07 0.00 1.91 1.81 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.39 7.81 19 K 7.55 4.41 0.00 1.87 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.42 7.81 20 D 8.29 4.40 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.47 4.42 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 22 R 7.87 4.14 0.00 1.92 2.01 0.00 3.20 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 23 L 7.53 4.10 0.00 1.74 1.65 0.92 1.07 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 24 T 8.66 4.31 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 1.24 0.00 0.00 25 I 8.20 3.65 1.79 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.77 0.87 0.00 0.00 26 S 7.97 4.13 0.00 4.02 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 27 E 7.77 3.93 0.00 2.28 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 2.32 2.35 0.00 28 L 7.94 3.98 0.00 1.70 1.70 0.93 0.85 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 29 S 8.12 4.16 0.00 3.87 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 30 E 8.14 4.01 0.00 2.15 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 2.50 2.34 0.00 31 Q 8.31 4.15 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 32 L 8.22 4.48 0.00 1.64 1.68 0.95 0.92 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 33 K 7.83 3.89 0.00 1.89 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.38 7.81 34 K 7.69 4.71 0.00 1.68 1.66 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.35 7.81 35 P 0.00 4.41 0.00 2.13 1.96 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 36 E 8.66 3.94 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 37 S 7.90 3.53 0.00 3.73 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 38 T 7.82 3.93 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 1.25 0.00 0.00 39 I 7.40 3.65 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 1.40 0.66 0.89 0.00 0.00 40 H 8.07 4.04 0.00 3.10 2.94 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.89 4.53 0.00 3.22 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 42 R 8.36 4.00 0.00 2.00 2.12 0.00 3.47 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 43 I 8.15 3.73 1.93 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 1.45 0.73 0.99 0.00 0.00 44 K 8.33 3.94 0.00 2.06 1.95 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.53 7.81 45 K 8.05 3.94 0.00 2.20 1.99 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 46 L 8.21 4.08 0.00 1.94 1.72 0.93 0.77 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 47 Q 8.23 4.11 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 48 E 8.35 3.95 0.00 2.11 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 2.57 2.28 0.00 49 R 8.07 4.22 0.00 1.87 1.85 0.00 3.34 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 50 G 7.86 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 51 V 7.91 3.59 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 0.77 0.00 0.00 0.95 0.00 0.00 52 I 7.53 4.06 1.90 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 1.20 0.65 0.69 0.00 0.00 53 E 8.64 4.21 0.00 1.93 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 2.30 2.31 0.00 54 R 7.40 4.61 0.00 1.81 1.78 0.00 3.33 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 55 Y 8.85 4.51 0.00 2.97 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 56 T 8.25 4.75 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 1.45 0.00 0.00 57 I 8.16 4.70 1.91 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 1.44 0.88 0.95 0.00 0.00 58 I 8.14 4.50 1.92 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 1.47 0.72 0.92 0.00 0.00 59 L 8.60 4.27 0.00 1.63 1.57 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.10 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 0.00 0.00 0.00 0.00 61 E 8.99 3.62 0.00 2.17 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 2.30 2.27 0.00 62 Q 8.82 4.35 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 63 L 7.73 4.58 0.00 1.63 1.69 0.91 0.92 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 64 K 7.45 4.29 0.00 1.81 1.73 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.40 7.81 65 P 0.00 4.60 0.00 2.00 1.94 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 66 K 8.62 4.14 0.00 1.61 1.67 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.41 7.81 67 H 8.64 4.94 0.00 3.10 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.63 5.34 0.00 1.56 1.53 0.92 0.99 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 69 A 9.01 5.18 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 70 L 9.19 4.99 0.00 1.82 1.72 0.97 0.94 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 71 I 9.15 5.07 1.94 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 1.13 0.67 0.93 0.00 0.00 72 V 8.88 4.86 2.23 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 0.89 0.00 0.00 1.17 0.00 0.00 73 L 9.04 5.20 0.00 1.73 1.47 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 74 E 9.46 5.11 0.00 2.08 1.82 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 2.22 2.30 0.00 75 V 8.35 4.52 2.33 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 0.78 0.00 0.00 1.07 0.00 0.00 76 G 9.34 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *82 D 8.27 4.88 0.00 2.85 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 83 F 8.38 4.42 0.00 3.02 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.71 4.07 0.00 2.02 1.74 1.03 0.83 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 85 E 8.42 3.96 0.00 2.12 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 2.42 2.46 0.00 86 R 7.99 4.01 0.00 2.07 1.96 0.00 3.00 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 87 Y 8.30 4.32 0.00 3.23 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 88 I 7.86 3.59 1.90 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 1.42 0.46 0.90 0.00 0.00 89 S 8.09 4.05 0.00 4.08 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 90 Y 8.11 4.08 0.00 3.07 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.61 2.98 1.56 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 1.06 -0.31 0.69 0.00 0.00 92 S 8.09 4.05 0.00 3.95 4.09 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 93 S 8.00 4.09 0.00 4.06 4.12 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 94 T 7.33 3.75 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 1.03 0.00 0.00 95 L 7.89 4.11 0.00 1.60 1.69 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.02 4.14 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 97 A 7.61 4.16 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 98 L 7.30 4.53 0.00 2.00 1.84 0.94 1.25 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 99 P 0.00 4.24 0.00 2.15 2.06 0.00 3.91 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 100 G 8.91 3.58 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 0.00 0.00 0.00 101 V 7.20 4.55 2.32 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 0.89 0.00 0.00 1.18 0.00 0.00 102 L 8.83 4.55 0.00 1.62 1.75 0.93 0.63 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 0.00 103 F 7.91 4.83 0.00 3.16 2.89 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 0.00 104 V 7.58 4.84 1.91 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 0.75 0.00 0.00 0.87 0.00 0.00 105 A 8.82 4.59 1.20 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 0.00 0.00 0.00 106 K 8.56 4.76 0.00 1.76 1.70 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.54 7.81 107 S 8.84 4.37 0.00 3.91 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 0.00 108 G 8.97 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 0.00 109 E 9.09 4.19 0.00 2.00 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 2.33 2.32 0.00 110 D 7.14 5.58 0.00 2.90 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 0.00 111 K 7.51 5.19 0.00 1.94 1.67 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.43 7.81 112 I 8.52 5.01 1.86 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 1.19 0.72 0.88 0.00 0.00 113 I 8.94 5.05 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 1.11 0.00 0.00 114 A 9.20 5.31 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 0.00 115 L 9.04 5.15 0.00 1.87 1.69 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.90 4.92 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 0.81 0.00 0.00 1.08 0.00 0.00 117 G 9.07 4.42 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 0.00 118 K 9.01 4.81 0.00 1.57 1.77 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.36 7.81 119 N 8.45 4.72 0.00 2.58 2.85 0.00 0.00 6.68 7.88 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 0.00 120 N 7.69 4.97 0.00 2.68 2.71 0.00 0.00 6.83 6.22 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 0.00 121 K 8.51 3.93 0.00 1.56 1.68 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.39 7.81 122 D 8.11 4.38 0.00 2.92 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 0.00 123 E 8.19 3.98 0.00 1.99 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 2.33 2.34 0.00 124 L 8.02 4.02 0.00 1.81 1.87 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.78 3.54 2.22 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 0.86 0.00 0.00 1.01 0.00 0.00 126 K 8.49 3.97 0.00 2.03 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.54 7.81 127 F 8.42 4.07 0.00 3.31 3.20 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 0.00 128 I 7.97 3.78 2.03 0.00 0.00 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 1.59 0.85 0.93 0.00 0.00 129 E 7.73 4.49 0.00 2.18 1.89 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 2.16 2.24 0.00 130 E 8.08 4.23 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 131 N 7.70 4.71 0.00 2.06 2.38 0.00 0.00 6.79 6.87 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 0.00 132 I 7.29 4.28 2.03 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 1.40 0.63 0.89 0.00 0.00 133 T 8.39 4.10 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 1.25 0.00 0.00 134 S 7.64 4.50 0.00 3.97 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 0.00 135 I 7.52 3.80 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.48 0.98 0.00 0.00 136 P 0.00 4.32 0.00 2.13 2.03 0.00 4.03 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 137 N 8.95 4.22 0.00 2.87 2.88 0.00 0.00 7.38 6.74 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 0.00 138 L 7.95 3.80 0.00 1.98 1.66 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.66 4.27 0.00 1.73 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.96 1.28 7.81 140 H 7.91 5.27 0.00 3.11 3.08 0.00 5.63 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.30 5.08 1.85 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 1.34 0.62 0.92 0.00 0.00 142 Q 9.37 4.49 0.00 1.77 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 143 I 7.85 4.54 1.74 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 1.30 0.49 0.88 0.00 0.00 144 F 9.31 4.89 0.00 2.99 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 0.00 145 P 0.00 4.76 0.00 1.98 2.03 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 146 I 8.63 4.29 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 1.30 0.75 0.91 0.00 0.00 147 T 8.70 4.23 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 0.00 148 E 7.71 4.69 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 149 I 8.14 4.38 1.86 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 1.39 0.61 0.94 0.00 0.00 150 K 8.64 4.25 0.00 1.71 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.34 7.81 151 K 7.44 4.47 0.00 1.61 1.57 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.38 7.81 152 G 8.83 3.85 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 0.00 0.00 0.00 153 E 8.41 3.94 0.00 2.01 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 0.00 2.39 2.48 0.00 154 D 8.05 4.18 0.00 2.67 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 0.00 155 L 7.99 4.04 0.00 1.71 1.87 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 156 T 7.55 3.97 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 1.21 0.00 0.00 157 G 8.11 3.91 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 0.00 0.00 0.00 158 F 8.11 4.20 0.00 3.02 3.32 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 0.00 159 L 8.18 3.87 0.00 1.67 1.72 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.59 4.02 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 0.00 161 E 8.46 4.42 0.00 1.85 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 2.17 2.29 0.00 162 V 8.23 3.67 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.