NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 47 E 4.1741 8.4444 121.4538 55.5611 31.7776 175.4125 48 V 3.7454 7.5211 119.4120 60.8609 32.3315 173.5679 49 N 5.2100 8.3974 125.3988 49.4406 37.2923 173.6809 50 P 4.6029 0.0000 0.0000 63.4566 32.3093 175.5732 51 D 4.6086 8.5241 112.5687 55.4386 43.9367 177.1794 52 I 3.7634 7.7837 111.6450 61.7159 37.5293 174.9939 53 I 4.4353 8.0898 121.4024 61.4872 41.9721 174.3881 54 K 4.3051 8.2336 117.7760 57.5117 32.3708 175.6398 55 D 4.4214 7.3544 116.9682 54.1899 42.3752 177.0633 56 E 3.9122 8.1342 121.4391 56.3877 30.5727 176.0444 57 V 4.5845 7.5024 118.4908 60.9924 34.7496 173.8415 58 F 4.8738 8.4605 120.8186 55.8614 42.6735 174.8523 59 D 4.4988 8.3306 120.8853 55.5752 41.4475 176.8801 60 F 4.4432 8.0224 118.0587 58.0772 39.0940 175.9683 61 V 3.5704 8.9944 119.6231 64.6246 31.6830 178.7215 62 I 3.2107 7.7186 118.6386 63.5368 38.2352 177.8690 63 V 3.4718 7.5932 120.2628 66.0739 31.4926 177.5058 64 N 4.6635 7.6093 114.8589 53.3556 38.1893 176.3332 65 R 4.6224 7.7687 115.6488 56.4349 35.6851 175.3040 66 V 4.1714 7.3277 115.5406 64.0869 33.3076 176.6691 67 L 3.8637 7.6925 119.0531 58.1611 41.9356 180.0345 68 K 3.8544 7.9007 118.4326 59.1988 32.2535 177.7827 69 K 4.3707 7.6526 117.9210 56.1204 31.9591 175.6755 70 I 4.4663 7.6734 118.5839 59.3489 38.8601 175.4668 71 K 4.1155 8.7255 124.9612 56.6158 32.0767 174.6245 72 D 4.3080 8.7253 126.5560 54.1188 38.6986 173.5633 73 L 4.0342 7.9664 125.3918 57.3672 42.7910 179.1399 74 K 3.9215 8.0942 117.5918 59.2438 31.5474 178.4960 75 H 4.0084 7.4578 118.3781 59.1753 29.9517 175.9940 76 Y 4.3870 7.7442 117.1789 57.0884 38.9300 175.5064 77 D 4.4104 7.5200 117.8049 54.7837 39.0985 172.4066 78 P 4.9388 0.0000 0.0000 61.9246 32.3027 175.4070 *80 I 4.0606 8.1281 117.0676 61.9277 38.7260 174.8176 81 E 4.7978 8.6071 124.7606 54.3982 33.7193 175.0127 82 K 4.6597 8.7084 120.9988 55.6056 33.7565 176.4447 83 I 3.8835 8.3849 124.7479 62.0035 38.6434 177.2397 84 F 3.6107 8.7815 125.1072 58.6400 38.6348 177.2239 *90 E 4.1781 9.1543 122.1244 56.5908 31.1846 173.7949 *92 G 4.0396 8.1452 111.3396 46.2075 0.0000 170.9333 93 L 5.0701 8.0234 121.4261 52.8965 45.8851 174.7684 94 N 5.0425 8.6715 124.0141 51.9969 41.1132 172.6903 95 V 4.5610 8.6950 127.1563 61.1039 34.2757 174.1829 96 E 5.0486 8.4564 126.6398 54.7378 33.1766 173.6276 97 I 4.7016 8.8760 127.3794 59.4612 40.7773 174.8118 98 Q 4.4898 8.7108 126.2198 56.0951 28.7556 176.3495 99 I 4.1417 9.2921 125.2131 62.6370 38.3590 175.9090 100 N 5.0378 8.1447 120.8744 49.9834 38.4559 172.0744 101 P 4.2578 0.0000 0.0000 65.2247 31.6185 178.5743 102 E 3.9288 8.2028 115.8840 57.9060 29.8338 176.5839 103 V 4.1650 7.8192 120.0874 60.1260 32.5113 174.4441 104 K 4.0379 8.6578 129.4295 57.6535 32.4095 175.8645 105 D 4.5327 8.9475 124.4423 55.3865 38.7335 174.7951 106 F 4.2033 8.2006 124.0875 60.7633 39.6385 174.8202 107 F 5.6277 8.2112 124.2444 57.2079 42.0100 173.1411 108 T 5.1436 9.1585 116.5996 59.7802 72.5370 172.3959 109 F 5.3158 9.1101 125.3876 56.4011 42.0475 174.0855 110 K 4.7694 8.2857 126.5293 54.5524 36.0260 174.9274 111 S 4.7480 8.7584 120.6622 56.7198 65.5712 172.7307 112 I 4.5404 8.5903 129.8722 60.6455 38.1654 175.3366 113 S 5.1919 9.6628 124.6726 56.9728 65.8105 173.6879 114 T 5.0829 8.5399 112.6931 60.4377 71.5708 173.4948 115 T 4.0985 9.1018 117.1787 66.8645 68.2701 174.7745 116 N 4.9591 8.1863 114.4965 52.7356 40.5542 173.5797 117 K 4.6999 8.1304 118.3257 55.1048 34.9077 174.0067 118 Q 5.1004 8.5952 125.2926 54.3555 32.0544 174.4516 119 R 4.6303 8.9975 124.2217 54.5202 33.8298 173.7391 120 C 5.3513 8.2800 120.0890 55.1098 43.6102 172.9767 121 F 5.2998 8.7474 120.9386 55.9217 43.1654 173.5106 122 L 5.0968 9.2846 124.0325 53.5808 43.9008 175.6065 123 S 5.1786 9.2598 117.7559 56.5048 65.8498 172.2040 124 L 4.5936 8.4457 129.2389 53.3903 44.5906 176.4748 125 R 3.5788 9.9383 127.1620 57.0523 28.2105 177.4915 126 G 3.8931 8.5319 106.6844 44.7271 0.0000 173.5440 127 E 4.5318 8.0546 121.7393 55.1978 31.0652 174.7204 128 T 5.1764 8.5879 123.9925 62.3048 70.3246 174.3520 129 R 4.7510 9.3442 125.4502 54.0752 33.4706 174.9661 130 E 4.1521 8.9260 124.5095 56.2764 30.5031 175.5312 131 I 4.6054 8.3747 124.8062 58.7183 41.6784 174.5323 132 L 3.7723 8.4851 129.6574 55.4373 42.1809 177.2919 133 C 4.3594 8.6468 124.3012 56.9091 39.8304 172.1818 134 D 4.3095 7.3178 123.3870 51.0311 42.0406 175.8812 135 N 4.3209 8.8044 115.5672 56.8316 38.1900 177.5410 136 K 3.9225 7.8355 117.8499 59.5893 32.2405 178.2543 137 L 4.0286 7.4731 118.5621 58.1286 42.1296 178.0091 138 Y 4.5773 7.2054 115.3944 61.3938 38.1382 178.6753 139 N 4.1418 8.3718 115.5619 54.7986 39.4420 176.6068 *141 L 3.9526 7.8761 122.5870 54.6783 44.0481 179.2822 142 L 4.0673 8.4888 118.6751 57.4337 41.3503 178.8781 143 A 3.9749 7.9659 119.2820 55.6889 18.5166 179.2909 144 V 3.8610 7.3965 117.2919 65.7151 31.7385 178.0537 145 F 4.6895 7.6950 116.4597 60.2858 38.9653 177.0215 146 N 4.7911 8.8787 115.2930 54.1172 38.1617 175.5356 147 S 4.5866 8.0361 112.3815 58.0300 63.5090 173.5565 148 Y 4.2830 7.6846 122.4933 57.0247 38.0629 174.1841 149 D 4.3278 7.9239 126.9385 51.3941 43.3811 174.2724 150 P 3.9806 0.0000 0.0000 65.4084 31.3963 176.8619 151 N 4.6778 9.2236 114.5244 53.2759 39.1729 175.4751 152 D 4.7165 8.0213 117.8736 52.0667 42.4440 176.1800 153 L 4.0578 7.8599 123.0472 57.8692 42.0592 178.8745 154 L 3.9437 8.0295 119.8998 58.1921 41.8754 178.8120 155 K 3.9107 8.0403 119.4123 59.6936 32.1012 178.1909 156 H 4.1958 8.2702 117.8666 59.6127 29.7227 176.7768 157 I 3.6830 7.8025 120.3844 65.0631 37.2721 177.8036 158 S 4.2424 8.4859 116.0049 62.0387 62.5564 176.9514 159 T 4.0992 8.1352 112.3429 64.9180 68.3129 176.4849 160 V 3.5967 7.9582 121.3435 65.8073 31.5253 177.5947 161 E 4.0479 8.7941 119.4533 59.0726 29.3848 178.9768 162 S 4.1610 7.9277 115.1521 61.4851 62.8808 176.1750 163 L 4.0866 7.8068 122.9636 57.8087 41.8216 178.9787 164 K 3.8136 8.0921 118.6245 59.2872 31.7989 178.7508 165 K 4.0261 7.8831 118.4120 59.9605 32.4864 178.0884 166 I 3.8763 7.6340 119.2650 64.5406 37.1988 177.9085 167 F 4.1050 8.5511 121.5659 61.6971 38.9847 176.3521 168 Y 4.4303 7.9869 113.1761 59.3008 38.0249 175.8878 169 T 4.4225 7.3550 112.6296 61.6485 68.5154 174.3921 170 I 3.8991 7.1414 121.6256 61.9603 37.5476 175.4694 171 T 4.5272 8.1659 114.2654 59.9370 71.4660 173.5004 172 C 4.4760 8.5386 121.7124 58.5463 28.0039 172.8749 173 E 4.7836 8.4630 123.0443 54.2088 32.6407 175.5164 174 A 4.6583 8.3799 122.9841 50.2454 21.7432 176.3388 175 V 4.0857 8.0619 119.8535 62.0189 32.0270 175.8291 176 Y 4.2218 8.7153 124.1233 58.1863 37.9422 175.5952 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 47 E 8.44 4.17 0.00 1.90 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 2.17 2.28 0.00 48 V 7.52 3.75 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 1.02 0.00 0.00 0.94 0.00 0.00 49 N 8.40 5.21 0.00 2.83 2.79 0.00 0.00 6.42 7.75 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 50 P 0.00 4.60 0.00 2.24 2.19 0.00 3.90 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 51 D 8.52 4.61 0.00 2.59 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 52 I 7.78 3.76 1.91 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 1.41 1.02 0.95 0.00 0.00 53 I 8.09 4.44 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 1.00 0.00 0.00 54 K 8.23 4.31 0.00 1.78 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.50 7.81 55 D 7.35 4.42 0.00 2.63 2.50 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 56 E 8.13 3.91 0.00 1.89 1.78 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 1.93 2.15 0.00 57 V 7.50 4.58 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 0.93 0.00 0.00 0.87 0.00 0.00 58 F 8.46 4.87 0.00 3.06 2.98 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 59 D 8.33 4.50 0.00 2.45 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 60 F 8.02 4.44 0.00 3.09 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 61 V 8.99 3.57 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 0.84 0.00 0.00 1.05 0.00 0.00 62 I 7.72 3.21 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.28 0.82 0.00 0.00 63 V 7.59 3.47 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 0.96 0.00 0.00 0.48 0.00 0.00 64 N 7.61 4.66 0.00 2.83 2.83 0.00 0.00 6.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.77 4.62 0.00 1.69 1.48 0.00 3.08 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 66 V 7.33 4.17 2.15 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 1.00 0.00 0.00 0.80 0.00 0.00 67 L 7.69 3.86 0.00 1.73 1.60 0.83 1.00 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 68 K 7.90 3.85 0.00 1.84 1.91 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.49 1.47 7.81 69 K 7.65 4.37 0.00 1.68 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.41 7.81 70 I 7.67 4.47 2.01 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 1.01 0.00 0.00 71 K 8.73 4.12 0.00 1.82 1.82 0.00 1.90 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.50 7.81 72 D 8.73 4.31 0.00 2.94 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 73 L 7.97 4.03 0.00 1.68 1.63 0.81 0.61 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 74 K 8.09 3.92 0.00 1.78 1.83 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.44 7.81 75 H 7.46 4.01 0.00 3.02 2.84 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.74 4.39 0.00 2.90 2.96 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 77 D 7.52 4.41 0.00 2.68 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 78 P 0.00 4.94 0.00 2.13 2.04 0.00 3.37 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 *80 I 8.13 4.06 1.84 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 1.28 0.83 0.82 0.00 0.00 81 E 8.61 4.80 0.00 1.84 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 2.24 2.19 0.00 82 K 8.71 4.66 0.00 1.66 1.78 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.47 7.81 83 I 8.38 3.88 1.93 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 1.05 0.55 0.66 0.00 0.00 84 F 8.78 3.61 0.00 3.16 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 *90 E 9.15 4.18 0.00 2.01 1.95 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 2.28 2.33 0.00 *92 G 8.15 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 0.00 0.00 0.00 0.00 93 L 8.02 5.07 0.00 1.19 0.59 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.67 5.04 0.00 2.72 2.54 0.00 0.00 6.42 8.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.70 4.56 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 0.94 0.00 0.00 0.78 0.00 0.00 96 E 8.46 5.05 0.00 1.96 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 97 I 8.88 4.70 1.91 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 1.01 0.65 0.49 0.00 0.00 98 Q 8.71 4.49 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 99 I 9.29 4.14 1.87 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 0.96 0.20 0.82 0.00 0.00 100 N 8.14 5.04 0.00 2.96 2.83 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 0.00 101 P 0.00 4.26 0.00 2.05 2.18 0.00 3.93 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 102 E 8.20 3.93 0.00 2.06 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 0.00 2.28 2.18 0.00 103 V 7.82 4.17 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 0.89 0.00 0.00 0.76 0.00 0.00 104 K 8.66 4.04 0.00 1.75 1.74 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.55 7.81 105 D 8.95 4.53 0.00 2.90 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 0.00 106 F 8.20 4.20 0.00 3.12 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 0.00 107 F 8.21 5.63 0.00 3.15 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 0.00 108 T 9.16 5.14 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 1.24 0.00 0.00 109 F 9.11 5.32 0.00 3.07 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 0.00 110 K 8.29 4.77 0.00 1.65 1.43 0.00 1.47 0.00 0.00 1.47 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.15 1.41 7.81 111 S 8.76 4.75 0.00 3.77 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 0.00 112 I 8.59 4.54 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.87 0.00 0.00 113 S 9.66 5.19 0.00 3.05 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.54 5.08 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 1.26 0.00 0.00 115 T 9.10 4.10 4.31 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 1.24 0.00 0.00 116 N 8.19 4.96 0.00 2.68 2.81 0.00 0.00 6.66 6.68 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 0.00 117 K 8.13 4.70 0.00 1.84 1.64 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.50 7.81 118 Q 8.60 5.10 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.45 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 119 R 9.00 4.63 0.00 1.90 1.78 0.00 3.18 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 120 C 8.28 5.35 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.75 5.30 0.00 2.79 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 0.00 122 L 9.28 5.10 0.00 1.94 2.01 1.16 0.50 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 0.00 123 S 9.26 5.18 0.00 3.86 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.45 4.59 0.00 0.60 0.13 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 125 R 9.94 3.58 0.00 1.65 1.79 0.00 3.10 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.72 0.00 126 G 8.53 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 0.00 127 E 8.05 4.53 0.00 2.15 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 2.75 2.49 0.00 128 T 8.59 5.18 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 129 R 9.34 4.75 0.00 1.53 1.64 0.00 2.21 0.00 0.00 2.70 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.34 0.00 130 E 8.93 4.15 0.00 1.86 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.75 0.00 131 I 8.37 4.61 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.95 0.99 0.00 0.00 132 L 8.49 3.77 0.00 1.55 1.51 0.87 0.90 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 0.00 133 C 8.65 4.36 0.00 3.04 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 7.32 4.31 0.00 2.67 2.61 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 0.00 135 N 8.80 4.32 0.00 2.74 2.93 0.00 0.00 6.80 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.84 3.92 0.00 1.93 1.85 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 137 L 7.47 4.03 0.00 1.56 1.59 0.93 0.86 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 0.00 138 Y 7.21 4.58 0.00 3.14 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 0.00 139 N 8.37 4.14 0.00 2.73 2.86 0.00 0.00 7.10 6.29 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 *141 L 7.88 3.95 0.00 1.85 1.59 0.09 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.49 4.07 0.00 1.84 1.73 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.97 3.97 1.27 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 0.00 0.00 0.00 144 V 7.40 3.86 1.47 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 0.94 0.00 0.00 0.76 0.00 0.00 145 F 7.69 4.69 0.00 3.06 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 0.00 146 N 8.88 4.79 0.00 2.97 2.93 0.00 0.00 6.97 7.50 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 0.00 147 S 8.04 4.59 0.00 4.08 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 7.68 4.28 0.00 2.94 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 0.00 149 D 7.92 4.33 0.00 2.52 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 0.00 0.00 0.00 0.00 150 P 0.00 3.98 0.00 1.96 2.04 0.00 3.42 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 151 N 9.22 4.68 0.00 2.64 2.80 0.00 0.00 6.72 7.94 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 0.00 152 D 8.02 4.72 0.00 2.57 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 4.06 0.00 1.77 1.79 1.00 0.66 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 0.00 154 L 8.03 3.94 0.00 1.77 1.70 0.94 0.79 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 0.00 155 K 8.04 3.91 0.00 2.04 1.83 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.53 7.81 156 H 8.27 4.20 0.00 3.57 3.62 0.00 5.96 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 0.00 157 I 7.80 3.68 2.07 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 1.74 0.95 0.94 0.00 0.00 158 S 8.49 4.24 0.00 3.99 3.90 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 0.00 159 T 8.14 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 1.28 0.00 0.00 160 V 7.96 3.60 2.24 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 1.18 0.00 0.00 0.80 0.00 0.00 161 E 8.79 4.05 0.00 2.21 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 2.43 0.00 162 S 7.93 4.16 0.00 3.99 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 0.00 163 L 7.81 4.09 0.00 1.74 2.01 0.92 0.33 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 0.00 164 K 8.09 3.81 0.00 2.02 1.81 0.00 1.47 0.00 0.00 0.61 0.00 0.00 2.33 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.54 7.81 165 K 7.88 4.03 0.00 1.85 2.24 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.58 7.81 166 I 7.63 3.88 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.98 0.00 0.00 167 F 8.55 4.11 0.00 3.13 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 0.00 168 Y 7.99 4.43 0.00 3.20 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 0.00 169 T 7.35 4.42 4.61 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 1.24 0.00 0.00 170 I 7.14 3.90 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 0.88 0.00 0.00 171 T 8.17 4.53 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 1.19 0.00 0.00 172 C 8.54 4.48 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 0.00 173 E 8.46 4.78 0.00 1.92 1.86 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 2.23 2.27 0.00 174 A 8.38 4.66 0.99 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 0.00 175 V 8.06 4.09 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 0.87 0.00 0.00 0.92 0.00 0.00 176 Y 8.72 4.22 0.00 2.94 2.84 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.