NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1197 8.1633 120.7254 55.2626 34.1079 173.8719 2 R 5.0094 8.9806 118.8552 52.7336 34.3965 169.4062 3 V 4.9592 8.7895 122.9275 59.9214 35.5814 174.0704 4 V 4.9302 8.6524 123.7901 61.4300 33.6193 174.1110 5 I 4.9400 9.0762 129.2456 59.6799 39.7447 174.5434 6 Q 5.0461 8.8557 125.7924 53.8586 31.8508 174.9244 7 R 4.2693 8.6013 125.4223 56.3531 31.4296 175.6582 8 V 5.0138 9.0250 118.5790 59.7940 35.8035 176.5277 9 K 4.0834 9.2398 122.9727 58.4753 32.7949 177.1155 10 G 4.5185 7.7260 105.4078 45.6771 0.0000 171.9183 11 A 5.8096 8.3270 120.5198 50.8998 23.3955 175.8377 12 I 4.7991 8.2629 120.1004 59.5241 40.7919 174.0334 13 L 4.8581 9.3582 131.0889 54.0013 43.5452 175.6688 14 S 5.3976 9.0216 121.1209 57.0177 67.6158 174.7572 15 V 4.5814 8.6387 110.4509 61.5321 35.0531 174.9949 *27 L 4.4945 7.8704 120.3239 54.6546 42.7470 175.7060 28 E 4.7319 8.7278 125.0522 54.0914 32.7151 174.9582 29 I 4.5928 8.4914 127.8896 61.4290 37.5112 175.6744 30 I 4.5567 8.4399 118.5860 60.4437 39.3343 175.5148 31 S 4.5418 7.7811 114.7146 57.6223 65.5674 173.5464 32 E 5.3006 8.7247 127.0969 55.0053 32.6144 173.8169 33 I 4.8878 9.0647 121.2606 59.0795 41.6315 175.7217 34 K 4.8771 8.6898 130.1458 53.9838 30.4368 178.8059 35 N 4.6640 8.4986 116.1575 54.4935 39.2739 175.4675 36 G 4.7572 7.1025 106.7636 46.2698 0.0000 171.2653 37 L 5.2735 8.2787 120.1910 52.9917 45.3321 175.3259 38 I 4.6136 8.5493 122.3853 59.4048 40.5603 173.8611 39 C 5.0819 8.8890 127.6691 57.9988 30.7898 173.2777 40 F 4.8419 9.1062 124.6713 56.6412 39.7701 174.6725 41 L 4.9514 9.3325 127.9629 53.3818 44.0340 175.2447 42 G 4.2769 9.6397 117.3405 46.0908 0.0000 172.9066 43 I 4.9854 8.6408 127.3013 59.7336 37.0876 171.5635 44 H 4.1574 9.5774 130.2394 54.3600 30.8868 176.6862 45 K 3.8601 8.0461 127.5249 57.8947 31.4642 178.0704 46 N 4.8991 8.2025 114.8403 53.2908 38.8750 174.9134 47 D 4.6930 7.8258 118.8966 54.3088 41.5645 176.5013 48 T 4.6645 9.0575 113.9477 59.7255 71.1970 175.3619 49 W 4.5745 8.7784 130.1568 59.8926 30.6895 177.6781 50 E 3.9864 8.6504 119.1063 59.4074 28.7598 178.6622 51 D 4.3569 7.9898 119.0322 57.3208 40.9417 178.5029 52 A 3.8165 8.0010 120.5449 55.1632 18.2422 179.3183 53 L 3.4204 7.0667 117.1714 57.9148 41.5793 179.0275 54 Y 3.9132 7.8403 119.1662 60.8472 38.6296 178.0385 55 I 3.6300 7.5088 120.1338 64.6240 37.3570 178.1237 56 I 3.0349 7.5749 122.5985 64.9317 36.6530 179.0631 57 R 3.7833 7.7576 119.9547 61.7554 29.3806 180.3164 58 K 4.0398 7.9676 119.7462 59.0803 31.7863 178.9495 59 C 3.8057 8.1319 116.9252 63.3030 28.3040 175.5849 60 L 4.4384 7.7538 115.4998 55.4880 41.2095 177.0804 61 N 4.9443 7.6000 112.7380 52.8050 42.5376 174.5433 62 L 3.9350 8.5140 119.4137 55.1547 41.6614 177.8773 63 R 4.5889 8.5022 123.9765 55.5959 28.5629 175.8813 64 L 5.0683 8.3333 119.1203 54.0391 43.2607 175.7918 65 W 4.7217 8.1090 120.0641 54.6788 31.7245 176.0087 66 N 4.9579 8.4739 121.3593 52.9806 39.9937 174.5487 67 N 5.0128 8.3990 124.0397 53.4135 43.9848 177.5847 68 D 4.5364 9.1538 120.7379 54.4865 41.2314 176.8908 69 N 4.3405 8.6910 114.1455 53.2795 37.6905 173.4644 70 K 4.5316 10.5183 119.5265 56.1029 33.3055 176.3522 71 T 5.1363 8.2230 112.8805 59.5805 71.5395 174.0937 72 W 3.6594 7.8876 120.0052 58.3509 26.0518 172.4833 73 D 4.8896 8.4458 119.8648 55.5382 42.9449 177.2456 74 K 4.8435 7.9453 121.5107 54.0209 34.5545 177.3170 75 N 5.7435 9.5531 122.3175 50.7800 40.2899 176.2544 76 V 3.7600 8.7587 117.2071 65.0942 31.8674 178.5266 77 K 3.4839 8.1007 120.0953 59.0339 32.1595 178.5521 78 D 4.3071 8.5283 117.8768 57.4789 40.6804 178.2224 79 L 3.9622 7.1936 114.9001 53.6259 41.8571 176.9328 80 N 4.3501 7.5464 114.5608 53.4870 36.2753 172.3689 81 Y 5.0344 7.7305 115.6288 56.9472 41.1046 176.6472 82 E 4.9365 8.6832 119.3570 55.1831 32.5740 175.4680 83 L 5.2622 8.6171 120.4737 52.9088 45.8539 175.4429 84 L 4.9261 8.7627 124.5874 53.4385 44.7449 174.8879 85 I 4.7524 8.7139 128.1486 59.6220 39.5053 174.8909 86 V 4.6516 8.4599 126.9413 60.6671 34.2829 174.5902 87 S 4.6357 8.5337 123.3338 58.6591 63.2410 173.5469 88 Q 4.3875 9.7286 129.2858 54.7880 30.7152 174.8952 89 F 4.6377 8.8495 122.2221 58.5668 38.8452 177.6328 90 T 3.5991 6.7343 111.2635 63.1651 68.6873 176.1195 91 L 3.8905 7.6295 121.8778 57.2326 41.7941 177.5440 92 F 5.0395 8.1452 115.8929 56.9606 39.0503 176.0922 93 G 4.3204 8.2378 111.3593 45.7679 0.0000 173.1100 94 N 4.9199 8.2487 122.3014 52.5596 40.5966 175.3689 95 T 4.7704 8.0328 111.1448 61.9071 70.1129 174.9324 96 K 4.1916 8.8820 126.8648 59.8586 34.0066 178.9865 97 K 4.2172 8.4651 119.8735 55.7709 30.7890 182.1502 98 G 4.5028 8.7301 112.5805 46.0161 0.0000 174.7126 99 N 4.8600 8.8330 119.8438 52.3215 40.7854 173.1414 100 K 4.3461 7.8587 120.1036 53.6989 33.2297 174.0181 101 P 4.8283 0.0000 0.0000 62.2090 32.0115 174.8196 102 D 4.2782 7.1095 116.3159 53.1524 44.2310 174.8671 103 F 5.3524 7.8815 123.4634 57.4154 39.8965 175.3543 104 H 4.7295 8.1738 117.7144 57.6458 29.8439 177.4867 105 L 3.9349 7.9642 118.9542 56.9257 41.8882 176.7200 106 A 4.4206 8.1138 123.1723 52.1025 18.8004 178.4083 107 K 3.8354 8.4648 126.4612 55.8089 32.4181 172.8957 108 E 3.7100 8.8659 124.2439 55.1098 30.4835 175.7540 109 P 4.3795 0.0000 0.0000 66.1915 30.9788 178.1730 110 N 4.3108 8.6847 116.6841 57.2529 38.5073 177.7763 111 E 3.8551 8.0784 117.8598 60.9966 29.8740 180.7852 112 A 4.3701 8.3057 122.5542 55.2281 18.3534 179.2399 113 L 3.0163 7.8664 118.5353 58.2622 41.8483 179.4462 114 I 3.7084 7.3073 119.0155 64.3285 37.0349 177.8496 115 F 4.2421 8.3227 121.6231 61.7701 39.0612 176.3074 116 Y 4.2373 9.0390 119.0411 61.1829 38.6846 177.7722 117 N 4.2851 8.7355 117.3898 56.3156 38.6789 177.2661 118 K 3.8929 8.4715 121.1605 59.5036 32.2120 178.6828 119 I 3.7018 7.9776 120.2365 64.7617 37.1252 178.3056 120 I 3.8061 7.8009 120.5203 64.5481 36.7839 178.2449 121 D 4.3597 8.2745 119.5567 57.3411 40.7398 178.1498 122 E 3.9841 8.3129 119.7206 59.5649 29.5135 178.6001 123 F 4.0809 8.3800 117.7936 60.9357 38.8152 178.0623 124 K 4.1458 8.0452 118.3750 59.9567 31.9084 179.7696 125 K 4.0764 8.1353 123.1834 60.2685 31.6892 180.5802 126 Q 4.3782 8.5754 118.8313 56.3904 29.1574 178.0376 127 Y 4.7947 9.0105 115.8687 56.5057 39.0653 177.4857 128 N 4.9979 8.4671 114.4706 51.4316 42.3083 173.1679 129 D 4.2554 8.9303 124.8264 57.3876 41.1787 176.6752 130 D 4.5578 8.5386 115.9447 54.6007 41.6961 176.3116 131 K 4.2999 7.8767 117.3042 57.2954 33.9757 175.8800 132 I 4.7655 7.5522 120.8890 59.7551 38.5315 175.3261 133 K 4.8414 8.7524 125.5455 54.6830 36.4040 175.2966 134 I 5.1874 7.6197 114.5021 58.8593 41.1928 173.0253 135 G 4.0960 8.5212 110.6068 44.0694 0.0000 172.4702 136 K 4.3219 8.2496 121.5662 54.2537 31.8692 175.9086 137 F 3.8044 8.8288 128.1197 59.8316 39.4325 176.0082 138 G 3.9471 8.0020 113.7626 46.0436 0.0000 173.2256 139 N 4.7924 7.7537 116.7925 51.8677 39.8921 174.2587 140 Y 4.1205 8.5053 122.1072 57.9119 39.3309 174.7936 141 M 4.9084 7.7088 125.6817 53.4103 35.9853 174.7549 142 N 4.7409 8.9646 118.2961 52.1372 42.0267 172.9462 143 I 4.7764 8.4091 127.0994 59.6892 39.8532 175.2413 144 D 4.7188 8.6719 127.6515 53.0606 41.5897 175.3061 145 V 4.5418 8.2363 123.4775 61.5943 33.6188 175.6037 146 T 4.4878 8.7040 124.9291 61.7419 69.5325 172.8323 147 N 4.8065 8.6226 123.9933 53.2764 39.4310 175.2287 148 D 4.2245 10.3830 125.2928 52.3528 39.9960 175.1880 149 G 4.1494 8.3606 117.0157 44.6793 0.0000 169.9634 150 P 4.4328 0.0000 0.0000 61.0540 33.2826 176.0456 151 V 4.4442 8.0835 118.1784 61.7638 34.2540 173.9847 152 T 5.2518 8.7024 124.5946 61.8218 71.1166 173.6941 153 I 4.6047 8.9163 127.2339 59.5354 40.4561 173.7953 154 Y 5.2961 8.7333 127.4447 55.9165 41.0953 174.6868 155 I 4.4528 7.8836 125.7678 59.4581 42.0643 174.0804 156 D 4.9484 8.2509 124.5848 52.5640 43.4083 175.6812 157 T 3.8683 8.7501 117.3517 63.6367 69.0208 174.8341 158 H 4.7095 8.3189 118.6429 56.1279 28.8084 174.8709 159 D 4.5579 7.9690 125.8724 54.4502 40.9572 176.0200 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 5.12 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 8.98 5.01 0.00 1.22 1.62 0.00 2.21 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 3 V 8.79 4.96 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 0.74 0.00 0.00 0.99 0.00 0.00 4 V 8.65 4.93 2.27 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 1.14 0.00 0.00 1.08 0.00 0.00 5 I 9.08 4.94 1.89 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 1.26 0.69 0.90 0.00 0.00 6 Q 8.86 5.05 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 7 R 8.60 4.27 0.00 1.66 1.65 0.00 2.21 0.00 0.00 2.59 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.00 8 V 9.02 5.01 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 0.87 0.00 0.00 1.03 0.00 0.00 9 K 9.24 4.08 0.00 1.60 1.84 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.48 1.55 7.81 10 G 7.73 4.52 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 A 8.33 5.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.26 4.80 1.87 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 1.22 1.27 0.91 0.00 0.00 13 L 9.36 4.86 0.00 1.65 1.62 0.88 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.02 5.40 0.00 3.78 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.64 4.58 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 0.83 0.00 0.00 1.03 0.00 0.00 *27 L 7.87 4.49 0.00 1.59 1.71 0.99 0.93 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 28 E 8.73 4.73 0.00 2.04 1.77 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 2.19 2.26 0.00 29 I 8.49 4.59 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 1.41 0.66 0.94 0.00 0.00 30 I 8.44 4.56 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 1.28 0.68 0.98 0.00 0.00 31 S 7.78 4.54 0.00 3.89 3.67 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 32 E 8.72 5.30 0.00 1.95 1.72 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 2.17 2.44 0.00 33 I 9.06 4.89 1.84 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 1.05 0.95 0.92 0.00 0.00 34 K 8.69 4.88 0.00 1.73 1.32 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.27 7.81 35 N 8.50 4.66 0.00 1.44 1.55 0.00 0.00 6.71 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 36 G 7.10 4.76 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 37 L 8.28 5.27 0.00 1.67 1.57 1.03 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.55 4.61 1.76 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.20 0.90 0.00 0.00 39 C 8.89 5.08 0.00 2.74 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 9.11 4.84 0.00 2.97 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 41 L 9.33 4.95 0.00 1.89 1.79 1.09 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.64 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 0.00 0.00 0.00 0.00 43 I 8.64 4.99 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 1.23 0.73 0.91 0.00 0.00 44 H 9.58 4.16 0.00 2.93 3.31 0.00 5.57 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.05 3.86 0.00 1.81 1.73 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.30 7.81 46 N 8.20 4.90 0.00 2.67 2.82 0.00 0.00 6.93 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 7.83 4.69 0.00 2.65 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 9.06 4.66 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 1.33 0.00 0.00 49 W 8.78 4.57 0.00 3.57 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 50 E 8.65 3.99 0.00 2.05 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 0.00 2.43 2.55 0.00 51 D 7.99 4.36 0.00 3.03 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 52 A 8.00 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.07 3.42 0.00 1.65 1.55 0.95 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.84 3.91 0.00 3.02 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 7.51 3.63 1.97 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 1.80 0.77 1.00 0.00 0.00 56 I 7.57 3.03 1.49 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.67 0.03 0.00 0.00 57 R 7.76 3.78 0.00 1.86 1.86 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 58 K 7.97 4.04 0.00 1.61 1.70 0.00 1.52 0.00 0.00 1.38 0.00 0.00 2.64 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.67 1.21 7.81 59 C 8.13 3.81 0.00 3.23 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 60 L 7.75 4.44 0.00 1.85 1.62 0.92 1.03 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 61 N 7.60 4.94 0.00 2.85 2.73 0.00 0.00 7.03 7.85 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 62 L 8.51 3.93 0.00 1.59 1.63 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.50 4.59 0.00 1.93 2.09 0.00 3.20 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 64 L 8.33 5.07 0.00 0.95 1.63 0.78 1.01 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 65 W 8.11 4.72 0.00 3.57 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 66 N 8.47 4.96 0.00 2.58 2.72 0.00 0.00 6.55 6.92 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 67 N 8.40 5.01 0.00 2.61 1.84 0.00 0.00 7.24 8.59 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 68 D 9.15 4.54 0.00 2.82 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 69 N 8.69 4.34 0.00 2.74 2.72 0.00 0.00 6.61 7.44 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 70 K 10.52 4.53 0.00 1.92 1.78 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.39 1.23 7.81 71 T 8.22 5.14 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 72 W 7.89 3.66 0.00 3.40 3.21 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 73 D 8.45 4.89 0.00 2.77 2.63 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 74 K 7.95 4.84 0.00 1.48 1.65 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 0.99 7.81 75 N 9.55 5.74 0.00 3.00 3.15 0.00 0.00 6.62 7.59 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 76 V 8.76 3.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.19 0.00 0.00 77 K 8.10 3.48 0.00 1.63 1.64 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 1.00 7.81 78 D 8.53 4.31 0.00 2.80 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 79 L 7.19 3.96 0.00 0.27 0.36 0.39 0.68 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 80 N 7.55 4.35 0.00 2.70 2.84 0.00 0.00 6.88 7.00 0.00 0.00 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 7.73 5.03 0.00 2.73 2.79 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 0.00 0.00 0.00 82 E 8.68 4.94 0.00 1.95 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 2.22 2.28 0.00 83 L 8.62 5.26 0.00 1.50 1.38 1.18 0.42 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 84 L 8.76 4.93 0.00 1.65 1.38 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.71 4.75 1.79 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.38 0.93 0.00 0.00 86 V 8.46 4.65 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 0.94 0.00 0.00 0.81 0.00 0.00 87 S 8.53 4.64 0.00 3.00 2.99 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 88 Q 9.73 4.39 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 89 F 8.85 4.64 0.00 3.36 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 90 T 6.73 3.60 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 91 L 7.63 3.89 0.00 1.36 1.48 1.04 0.76 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 92 F 8.15 5.04 0.00 3.38 3.11 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 93 G 8.24 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.25 4.92 0.00 2.72 2.59 0.00 0.00 6.71 7.22 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 95 T 8.03 4.77 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 1.16 0.00 0.00 96 K 8.88 4.19 0.00 1.89 1.90 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.38 7.81 97 K 8.47 4.22 0.00 1.77 1.20 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.00 7.81 98 G 8.73 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 4.86 0.00 2.62 2.74 0.00 0.00 6.54 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 7.86 4.35 0.00 1.67 1.67 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.42 7.81 101 P 0.00 4.83 0.00 1.77 1.80 0.00 3.75 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 102 D 7.11 4.28 0.00 2.49 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 0.00 0.00 0.00 0.00 103 F 7.88 5.35 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.17 4.73 0.00 3.16 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.96 3.93 0.00 1.54 1.22 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.11 4.42 1.53 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 0.00 0.00 107 K 8.46 3.84 0.00 1.59 1.65 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.40 1.29 7.81 108 E 8.87 3.71 0.00 2.01 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 2.39 2.35 0.00 109 P 0.00 4.38 0.00 2.21 2.18 0.00 3.65 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 2.09 2.13 0.00 110 N 8.68 4.31 0.00 3.06 2.86 0.00 0.00 7.18 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 0.00 111 E 8.08 3.86 0.00 2.07 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 2.24 2.20 0.00 112 A 8.31 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.87 3.02 0.00 0.60 1.55 0.37 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.31 3.71 1.96 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 1.40 0.73 0.94 0.00 0.00 115 F 8.32 4.24 0.00 3.17 3.47 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 0.00 116 Y 9.04 4.24 0.00 3.52 3.44 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 0.00 117 N 8.74 4.29 0.00 2.97 2.92 0.00 0.00 6.76 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 0.00 118 K 8.47 3.89 0.00 1.94 1.96 0.00 1.20 0.00 0.00 1.09 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.68 1.21 7.81 119 I 7.98 3.70 1.94 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 1.09 0.39 0.96 0.00 0.00 120 I 7.80 3.81 1.93 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.90 0.90 0.00 0.00 121 D 8.27 4.36 0.00 2.93 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 0.00 122 E 8.31 3.98 0.00 2.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 123 F 8.38 4.08 0.00 3.30 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 0.00 124 K 8.05 4.15 0.00 1.87 1.89 0.00 1.90 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.67 7.81 125 K 8.14 4.08 0.00 1.84 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.37 7.81 126 Q 8.58 4.38 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 127 Y 9.01 4.79 0.00 2.99 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 0.00 0.00 0.00 0.00 128 N 8.47 5.00 0.00 2.62 1.86 0.00 0.00 6.49 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 8.93 4.26 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 0.00 130 D 8.54 4.56 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.30 0.00 0.92 1.46 0.00 1.77 0.00 0.00 1.51 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.87 0.59 7.81 132 I 7.55 4.77 1.85 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 1.53 0.99 0.76 0.00 0.00 133 K 8.75 4.84 0.00 1.60 1.62 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.45 7.81 134 I 7.62 5.19 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.86 0.98 0.00 0.00 135 G 8.52 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 0.00 0.00 0.00 0.00 136 K 8.25 4.32 0.00 1.83 1.75 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 137 F 8.83 3.80 0.00 2.97 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 0.00 138 G 8.00 3.95 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 0.00 0.00 0.00 139 N 7.75 4.79 0.00 2.93 2.81 0.00 0.00 6.88 7.05 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 0.00 140 Y 8.51 4.12 0.00 2.96 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 0.00 141 M 7.71 4.91 0.00 1.79 1.77 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 142 N 8.96 4.74 0.00 2.86 2.66 0.00 0.00 7.38 7.96 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 0.00 143 I 8.41 4.78 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 1.31 0.75 0.89 0.00 0.00 144 D 8.67 4.72 0.00 2.58 2.63 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 0.00 145 V 8.24 4.54 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 0.83 0.00 0.00 0.99 0.00 0.00 146 T 8.70 4.49 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 147 N 8.62 4.81 0.00 2.62 2.77 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 10.38 4.22 0.00 2.68 2.62 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 0.00 0.00 0.00 0.00 149 G 8.36 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 0.00 0.00 0.00 0.00 150 P 0.00 4.43 0.00 2.07 2.01 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 151 V 8.08 4.44 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 1.23 0.00 0.00 0.88 0.00 0.00 152 T 8.70 5.25 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 1.25 0.00 0.00 153 I 8.92 4.60 1.88 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 1.11 0.91 0.90 0.00 0.00 154 Y 8.73 5.30 0.00 2.89 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 0.00 155 I 7.88 4.45 1.76 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 1.09 0.55 0.98 0.00 0.00 156 D 8.25 4.95 0.00 2.55 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 0.00 157 T 8.75 3.87 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 1.29 0.00 0.00 158 H 8.32 4.71 0.00 3.16 3.35 0.00 5.85 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 7.97 4.56 0.00 2.69 2.53 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 * Residues marked with a * may have inaccurate shift predictions.