NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 Q 4.3246 8.1876 121.7149 55.4344 30.2626 175.8244 24 K 3.4685 8.8457 124.0173 57.5419 32.9810 175.7644 25 N 4.7921 8.3595 119.2264 50.9549 37.1479 174.5752 *27 E 4.6773 7.8861 119.9625 57.4623 31.6356 175.0599 28 N 4.8298 7.8103 116.2504 52.5620 39.6825 174.7025 29 K 4.5178 8.5710 116.3127 57.0783 34.2257 177.0881 30 T 4.3195 8.6175 108.6298 61.5284 68.5313 176.8462 31 L 4.0152 9.3516 120.5129 56.9384 42.3945 177.1983 32 N 4.8946 8.1224 115.0326 52.9717 39.2070 176.7551 33 E 4.3216 7.9414 120.4821 58.6348 29.8464 176.5596 34 N 4.6391 7.8246 116.3456 52.4254 39.8550 174.4726 35 I 3.5749 8.4046 126.9320 64.0623 37.7028 175.5812 36 P 4.2418 0.0000 0.0000 65.7448 31.3754 179.8161 37 E 4.2237 8.2306 116.5967 56.5778 28.8420 179.2129 *39 I 3.5802 7.9596 121.1529 61.3887 39.3500 178.2529 40 I 3.5765 7.7909 121.0389 64.4428 36.7943 178.4480 41 S 4.0685 8.0734 113.9408 61.1265 62.1597 175.8750 42 L 3.8935 7.7274 122.5626 58.1269 41.8557 178.3810 43 E 4.1215 8.2767 119.1836 59.4193 29.6846 178.9318 44 K 4.0227 8.1461 118.4920 59.4180 31.8620 178.9954 45 E 3.9548 8.2624 118.7739 59.1635 29.7355 178.4323 46 A 3.8309 8.0228 120.8982 55.0185 18.0750 179.6455 47 L 3.9804 7.8648 116.3097 57.3231 41.6866 178.7521 48 A 4.5743 7.6982 118.4210 51.9207 19.5793 177.5431 49 S 4.2237 7.1074 112.8475 58.2463 62.9276 174.3660 50 T 4.0853 8.3737 116.1734 63.0690 69.2218 173.9393 51 D 4.5683 8.0061 123.5447 52.6577 41.8558 175.8341 52 P 4.5418 0.0000 0.0000 62.6098 30.2406 176.5299 *54 A 4.3228 7.9079 123.7417 53.2012 20.6544 179.6097 55 F 4.3053 7.9391 112.3893 60.3264 39.2041 177.7514 56 V 3.5628 7.3260 117.7510 66.0164 31.1642 177.8162 57 E 4.0169 8.0020 116.5890 59.0796 29.6520 177.9858 58 L 4.2913 7.7265 118.0217 56.0776 42.2857 176.8558 59 S 4.8874 7.5784 114.9396 57.4021 64.1688 173.4009 60 D 4.7671 8.6608 123.8557 52.7593 42.6675 177.4720 61 T 3.8883 8.4009 111.4912 64.2837 68.6486 175.0367 62 D 4.6261 7.8915 119.7187 52.7764 39.9611 176.5012 63 V 3.9262 7.5920 120.0761 62.8278 32.5352 174.8677 64 I 4.9393 8.4991 123.3008 59.7478 40.4456 173.9549 65 Y 5.1338 8.6939 126.7198 55.9229 42.4163 173.7082 66 F 5.1979 8.7516 124.9652 55.8031 42.7543 173.8930 67 D 5.6388 8.1549 120.0114 51.4317 42.9665 173.9888 68 P 4.4587 0.0000 0.0000 64.0595 31.1981 177.3905 69 S 4.6625 8.8264 112.6118 58.0087 63.9066 173.9810 70 L 4.5493 7.4336 122.1439 53.2030 42.6915 176.3705 71 E 4.1040 8.8978 124.5720 58.8524 29.8645 176.4042 72 T 4.8153 7.3694 105.8551 59.0205 72.1214 173.1395 73 K 3.9536 8.2273 121.1804 56.9600 33.3029 176.6912 74 I 4.0209 8.3804 123.5445 61.2331 38.6065 174.8343 75 E 4.8361 8.7271 124.5749 56.0621 32.5618 176.4679 76 G 3.9662 9.4061 111.8131 45.5177 0.0000 174.0502 77 L 3.9490 8.5458 122.9766 58.0427 42.0874 179.5909 78 E 4.0358 8.1064 118.1232 59.4003 29.4257 179.1886 79 Q 4.0353 7.9749 117.8259 58.7147 28.7932 178.1741 80 L 3.9791 8.0766 121.5152 58.0038 42.0263 179.0008 81 R 3.8854 8.4238 119.1221 59.7878 30.0637 178.6237 82 T 3.8716 8.0060 115.5095 66.7106 68.2120 175.9441 83 Y 4.0797 7.9747 120.2810 61.1067 38.9241 177.5468 84 Y 3.8062 8.2464 116.5421 60.8056 37.9866 178.2224 85 K 4.2572 8.3047 119.1621 59.2945 32.1712 179.5607 86 G 3.7865 7.6741 105.1550 45.6702 0.0000 174.4580 *88 Q 4.1380 8.1470 119.1742 54.7179 29.8358 179.3945 89 L 4.1950 7.8632 120.3802 53.8247 41.6050 177.6241 90 P 4.5561 0.0000 0.0000 60.6534 32.1101 174.4191 91 P 4.4862 0.0000 0.0000 62.0056 32.1438 175.9693 92 A 4.3011 8.3560 121.7564 52.3026 18.9479 177.5028 93 D 4.7805 8.7835 121.0698 57.8262 41.4672 176.6078 94 H 4.9274 8.0106 110.9992 54.9183 31.4505 172.7684 95 F 5.7122 8.0361 113.4062 56.2026 41.2751 173.0653 96 D 5.2590 9.3042 119.5599 52.8061 45.0612 174.1479 *98 I 4.0166 8.1408 118.5400 62.3012 38.6372 176.3319 99 R 4.0214 8.7145 128.5345 56.3536 28.3363 174.3737 100 P 4.7532 0.0000 0.0000 63.4191 32.4198 177.1663 101 V 4.4614 9.1014 123.2470 60.9850 34.4932 174.1356 102 V 4.8202 8.4257 126.8653 61.3086 33.9108 174.2517 103 Q 4.5766 9.0622 127.8368 54.4495 30.4818 174.7056 104 V 4.8823 8.4413 123.9509 61.1165 33.9972 175.3109 105 A 4.4999 9.1425 130.6294 51.2923 21.7939 178.4787 106 Q 3.3953 8.8922 124.2334 58.2756 28.2171 174.9579 107 N 4.8123 9.1346 121.9960 53.3935 38.1971 174.0542 108 I 5.4060 8.1371 118.8013 60.2600 41.4290 174.2788 109 A 5.1223 9.7231 127.8665 50.2460 21.9182 175.0314 110 V 4.5627 9.0289 124.2376 61.7773 33.1746 174.2982 111 L 5.2769 9.0499 131.7669 53.6814 44.0047 175.1373 112 T 5.2038 8.8359 116.5482 60.1096 72.1348 172.8083 113 F 5.1451 8.2878 117.4457 56.4489 41.6221 172.5370 114 N 5.5281 8.6771 116.9435 52.0642 40.7897 174.7096 115 L 5.1731 9.0986 122.6584 53.9505 45.8955 174.7593 116 D 5.1207 9.5370 127.3651 53.3804 42.3107 175.2519 117 S 5.2385 9.2490 120.0151 56.7011 64.9801 172.1744 118 Y 5.1556 9.1152 125.0138 56.2123 40.3717 174.5213 119 L 4.8791 8.7334 128.5335 54.4024 45.6275 177.2234 120 S 4.0601 9.7287 125.5231 60.0908 60.0852 169.7025 121 D 4.8175 8.5148 114.1345 54.1414 37.3651 175.6903 122 K 4.7457 7.9949 119.5936 55.3495 35.3200 175.1170 123 V 4.3584 8.1558 124.2567 60.2130 33.3980 175.0313 124 I 4.3019 8.6067 124.4757 59.4308 40.1847 174.3851 125 K 5.0564 8.3279 126.4168 54.6912 34.0967 175.5575 126 W 5.4800 9.5521 124.7531 55.0776 33.1214 174.1454 127 N 5.3344 9.5529 119.7432 51.9472 40.8797 173.6940 128 C 4.4266 8.2782 122.0466 57.7548 35.4316 172.5634 129 T 4.8139 8.2741 122.0852 61.7436 71.1724 172.7017 130 E 4.9723 9.3393 126.2825 54.3894 33.0845 175.2510 131 V 4.8015 8.7514 123.5330 61.5737 34.1350 173.7316 132 Y 5.3027 9.4109 126.5005 56.5535 40.4530 174.7473 133 R 5.0944 9.3635 123.6146 54.5139 33.3314 174.4394 134 R 3.7354 8.1376 127.4958 55.0380 30.2744 176.0150 135 N 4.6392 8.6378 125.0805 51.6385 39.6628 174.7545 136 P 4.1587 0.0000 0.0000 65.3654 31.3846 177.3558 137 D 4.5453 7.9636 115.7319 53.1562 39.4392 176.4704 138 N 4.2523 8.1492 115.5850 54.0450 36.7579 173.9631 139 Q 4.6414 8.0152 118.1397 55.1479 30.5402 174.8297 140 W 5.1504 9.0693 123.5006 55.6006 30.4314 176.0669 141 K 5.0329 9.2177 123.8920 54.4109 36.1028 175.6430 142 I 4.1636 8.8564 125.3512 61.3446 37.7305 176.5196 143 I 4.3831 9.0116 120.1390 61.1025 39.9742 175.1108 144 Q 5.1429 7.6391 123.5683 55.2665 32.6556 173.0125 145 T 5.0192 9.1950 122.3683 62.0882 73.0932 172.5671 146 H 5.0058 8.9094 125.1814 54.5374 33.0986 171.5936 147 W 5.2349 8.8137 126.9302 55.1412 31.2178 175.8514 148 S 4.9806 9.2524 117.9489 56.7955 66.4407 173.0095 149 Y 4.5481 8.1143 118.3723 57.7101 38.7456 175.5831 150 V 3.5916 8.6207 123.6874 63.1329 32.3208 176.7226 151 K 3.8321 8.5885 128.1843 57.0076 29.3720 173.9702 152 P 4.2637 0.0000 0.0000 64.7990 32.0217 177.8573 153 L 4.3804 7.8101 118.1202 55.3870 43.3893 176.5407 *154 D 4.4172 7.4404 121.5070 53.3212 40.4426 180.7055 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 23 Q 8.19 4.32 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 24 K 8.85 3.47 0.00 2.06 1.96 0.00 1.60 0.00 0.00 1.96 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.52 7.81 25 N 8.36 4.79 0.00 3.08 3.11 0.00 0.00 6.86 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 *27 E 7.89 4.68 0.00 2.13 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 2.40 2.52 0.00 28 N 7.81 4.83 0.00 2.91 2.93 0.00 0.00 5.99 6.42 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 29 K 8.57 4.52 0.00 1.77 1.89 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.37 7.81 30 T 8.62 4.32 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 31 L 9.35 4.02 0.00 1.64 1.75 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.12 4.89 0.00 2.87 2.77 0.00 0.00 6.81 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 33 E 7.94 4.32 0.00 1.94 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 2.32 2.21 0.00 34 N 7.82 4.64 0.00 2.69 2.65 0.00 0.00 6.99 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 35 I 8.40 3.57 1.71 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 1.24 0.59 0.21 0.00 0.00 36 P 0.00 4.24 0.00 2.21 2.03 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 37 E 8.23 4.22 0.00 1.94 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 2.48 2.39 0.00 *39 I 7.96 3.58 1.65 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.34 0.50 0.00 0.00 40 I 7.79 3.58 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.85 0.00 0.00 41 S 8.07 4.07 0.00 3.85 3.79 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 42 L 7.73 3.89 0.00 1.70 1.72 0.96 0.94 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 43 E 8.28 4.12 0.00 2.36 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 2.19 2.53 0.00 44 K 8.15 4.02 0.00 2.06 2.04 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.68 1.59 7.81 45 E 8.26 3.95 0.00 2.06 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 2.29 2.32 0.00 46 A 8.02 3.83 0.36 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 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.86 3.98 0.00 1.41 1.14 0.63 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.70 4.57 1.50 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 49 S 7.11 4.22 0.00 3.85 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 50 T 8.37 4.09 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 1.23 0.00 0.00 51 D 8.01 4.57 0.00 2.66 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 52 P 0.00 4.54 0.00 2.31 2.16 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 *54 A 7.91 4.32 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 55 F 7.94 4.31 0.00 2.87 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 V 7.33 3.56 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 1.00 0.00 0.00 0.42 0.00 0.00 57 E 8.00 4.02 0.00 2.09 1.99 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 2.29 2.36 0.00 58 L 7.73 4.29 0.00 1.94 1.81 1.07 1.02 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 59 S 7.58 4.89 0.00 3.96 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 60 D 8.66 4.77 0.00 2.65 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 61 T 8.40 3.89 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 1.20 0.00 0.00 62 D 7.89 4.63 0.00 2.79 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 63 V 7.59 3.93 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 0.92 0.00 0.00 64 I 8.50 4.94 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 0.63 0.00 0.00 65 Y 8.69 5.13 0.00 2.94 2.59 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 0.00 0.00 0.00 0.00 66 F 8.75 5.20 0.00 2.42 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.15 5.64 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.46 0.00 1.84 1.90 0.00 3.74 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.68 0.00 69 S 8.83 4.66 0.00 4.02 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 70 L 7.43 4.55 0.00 1.61 1.79 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.90 4.10 0.00 1.94 1.98 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 2.31 2.32 0.00 72 T 7.37 4.82 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 73 K 8.23 3.95 0.00 0.93 0.74 0.00 1.05 0.00 0.00 1.51 0.00 0.00 2.61 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 1.17 7.81 74 I 8.38 4.02 1.81 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.47 0.83 0.00 0.00 75 E 8.73 4.84 0.00 1.74 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 2.08 2.32 0.00 76 G 9.41 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 0.00 0.00 0.00 77 L 8.55 3.95 0.00 1.98 1.66 0.95 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 78 E 8.11 4.04 0.00 2.01 1.98 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 2.39 2.34 0.00 79 Q 7.97 4.04 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 80 L 8.08 3.98 0.00 1.75 1.81 0.70 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.42 3.89 0.00 1.98 2.08 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 82 T 8.01 3.87 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 83 Y 7.97 4.08 0.00 2.90 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 84 Y 8.25 3.81 0.00 2.95 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 85 K 8.30 4.26 0.00 1.97 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.64 7.81 86 G 7.67 3.79 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 0.00 0.00 0.00 *88 Q 8.15 4.14 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.88 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 89 L 7.86 4.20 0.00 1.66 1.50 0.92 0.94 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 90 P 0.00 4.56 0.00 2.20 2.10 0.00 3.73 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 1.96 0.00 91 P 0.00 4.49 0.00 2.30 2.33 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 92 A 8.36 4.30 1.58 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 93 D 8.78 4.78 0.00 2.76 2.85 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 94 H 8.01 4.93 0.00 3.12 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.04 5.71 0.00 3.25 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 96 D 9.30 5.26 0.00 2.80 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 *98 I 8.14 4.02 2.01 0.00 0.00 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 1.34 1.52 0.99 0.00 0.00 99 R 8.71 4.02 0.00 1.92 1.96 0.00 3.27 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 100 P 0.00 4.75 0.00 2.11 2.01 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 101 V 9.10 4.46 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 1.03 0.00 0.00 0.95 0.00 0.00 102 V 8.43 4.82 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 0.77 0.00 0.00 0.91 0.00 0.00 103 Q 9.06 4.58 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 104 V 8.44 4.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.87 0.00 0.00 105 A 9.14 4.50 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 0.00 106 Q 8.89 3.40 0.00 2.21 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.46 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 107 N 9.13 4.81 0.00 2.81 2.91 0.00 0.00 5.70 8.01 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 0.00 108 I 8.14 5.41 2.11 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 1.21 1.14 1.02 0.00 0.00 109 A 9.72 5.12 1.02 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 0.00 110 V 9.03 4.56 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 1.05 0.00 0.00 0.98 0.00 0.00 111 L 9.05 5.28 0.00 1.88 1.73 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.84 5.20 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 1.15 0.00 0.00 113 F 8.29 5.15 0.00 3.11 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 0.00 114 N 8.68 5.53 0.00 2.72 2.91 0.00 0.00 6.64 8.95 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 0.00 115 L 9.10 5.17 0.00 2.33 2.00 1.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 116 D 9.54 5.12 0.00 2.90 2.66 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 0.00 117 S 9.25 5.24 0.00 4.16 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 0.00 118 Y 9.12 5.16 0.00 2.74 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 0.00 119 L 8.73 4.88 0.00 1.86 1.51 0.92 0.76 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 0.00 120 S 9.73 4.06 0.00 3.80 3.73 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 0.00 121 D 8.51 4.82 0.00 2.87 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 0.00 122 K 7.99 4.75 0.00 1.75 1.61 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.32 7.81 123 V 8.16 4.36 1.62 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 0.67 0.00 0.00 0.18 0.00 0.00 124 I 8.61 4.30 1.97 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 1.20 0.51 0.30 0.00 0.00 125 K 8.33 5.06 0.00 1.63 1.74 0.00 1.58 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.36 7.81 126 W 9.55 5.48 0.00 3.51 3.42 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 0.00 127 N 9.55 5.33 0.00 2.56 2.60 0.00 0.00 6.60 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 0.00 128 C 8.28 4.43 0.00 1.32 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.27 4.81 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 1.13 0.00 0.00 130 E 9.34 4.97 0.00 2.01 1.75 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 2.15 2.84 0.00 131 V 8.75 4.80 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 132 Y 9.41 5.30 0.00 3.25 3.24 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 0.00 133 R 9.36 5.09 0.00 1.85 1.75 0.00 3.04 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 134 R 8.14 3.74 0.00 0.67 0.99 0.00 3.16 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.00 135 N 8.64 4.64 0.00 2.81 2.67 0.00 0.00 6.63 8.84 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 0.00 136 P 0.00 4.16 0.00 2.00 2.07 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 137 D 7.96 4.55 0.00 2.77 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 0.00 138 N 8.15 4.25 0.00 2.90 3.03 0.00 0.00 6.90 8.38 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 0.00 139 Q 8.02 4.64 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 140 W 9.07 5.15 0.00 3.21 3.35 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 0.00 141 K 9.22 5.03 0.00 1.67 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.55 7.81 142 I 8.86 4.16 1.76 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 -0.04 0.05 0.77 0.00 0.00 143 I 9.01 4.38 1.87 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 1.29 0.81 0.92 0.00 0.00 144 Q 7.64 5.14 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 145 T 9.19 5.02 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 1.03 0.00 0.00 146 H 8.91 5.01 0.00 3.35 2.87 0.00 5.58 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 W 8.81 5.23 0.00 3.23 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 0.00 148 S 9.25 4.98 0.00 3.82 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 0.00 149 Y 8.11 4.55 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.62 3.59 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 0.73 0.00 0.00 1.06 0.00 0.00 151 K 8.59 3.83 0.00 1.90 1.73 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.39 7.81 152 P 0.00 4.26 0.00 2.20 2.29 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 153 L 7.81 4.38 0.00 1.61 1.70 0.92 0.96 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 *154 D 7.44 4.42 0.00 2.52 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 * Residues marked with a * may have inaccurate shift predictions.