NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1170 8.1633 120.7365 55.1880 33.9254 173.8114 2 R 4.9483 9.1740 121.8521 51.8549 33.6440 169.7328 3 V 4.9641 8.7784 122.8830 59.9406 35.5294 174.1136 4 V 4.8032 8.9611 124.3149 61.5667 33.3744 174.1764 5 I 5.0545 9.0930 129.4968 59.7306 39.7604 174.7139 6 Q 5.1338 9.1599 125.7688 53.9883 32.4176 174.5997 7 R 4.6481 8.7210 124.5789 56.0720 31.4797 175.5923 8 V 5.0301 8.9441 118.6821 59.8331 35.7033 176.3811 9 K 4.3759 8.7065 121.7294 57.8416 33.0244 177.1028 10 G 4.1550 7.7800 104.3466 45.2340 0.0000 172.4342 11 A 5.2468 8.3541 122.1782 50.6045 23.4449 175.4039 12 I 4.7420 8.9344 123.3303 59.4218 40.5654 174.2164 13 L 5.1166 9.1401 130.3418 53.4877 43.9404 175.3933 14 S 5.3404 9.3198 121.9369 56.9042 67.1138 173.2991 15 V 4.9116 8.5005 114.0957 59.4193 35.9606 175.7357 16 R 4.4714 8.8499 123.2638 57.3418 31.1168 177.0821 17 K 3.6405 8.1089 119.8538 55.7061 28.7663 175.9070 *26 E 4.4001 7.6434 119.3389 55.5156 32.4289 174.9822 27 L 5.3656 8.0444 116.2599 52.4758 45.1711 175.4394 28 E 4.6025 9.4987 123.7043 54.2272 32.1698 175.0146 29 I 4.3924 8.5555 129.0358 61.5734 37.0685 175.7186 30 I 4.4594 8.7952 120.7780 61.2866 40.0230 176.2272 31 S 4.8454 7.8669 116.7773 56.6512 67.1843 172.9600 32 E 5.2409 8.5828 122.9050 55.0099 32.5985 174.0349 33 I 4.9569 8.8328 119.7897 58.1865 40.9785 175.6085 34 K 4.6846 9.2074 128.0185 55.7943 30.6950 178.4688 35 N 4.5032 8.6239 125.4305 53.4969 39.6003 174.3141 36 G 4.4063 7.0727 109.4069 46.0947 0.0000 172.0079 37 L 5.2895 8.6620 123.7348 52.8875 45.8408 175.2173 38 I 4.5124 8.5405 123.9189 59.9598 39.9383 174.0278 39 C 5.1505 9.1730 127.3509 58.0158 30.8446 173.3919 40 F 4.9844 9.4404 125.2562 56.6766 39.7845 174.8398 41 L 5.0802 9.5170 127.9215 53.2936 44.1765 175.0956 42 G 4.6009 9.7228 114.9344 44.8334 0.0000 171.9530 43 I 5.1433 8.7336 125.9564 60.1201 39.2936 174.8083 44 H 3.8793 9.4671 127.6450 55.1256 30.7401 176.0522 45 K 3.6964 7.9109 123.7638 59.4454 31.9716 178.0143 46 N 4.9200 8.0141 112.7027 52.8710 38.9549 174.3266 47 D 4.6189 7.7254 119.2475 54.5665 41.3967 176.6588 48 T 4.6175 8.9483 114.9254 59.7725 71.2115 175.3918 49 W 4.6304 8.8614 129.6865 60.6446 30.4355 177.4867 50 E 4.1068 7.9778 118.8139 59.1658 28.7277 179.0993 51 D 4.3484 8.0333 118.5773 57.1869 40.9401 178.4839 52 A 3.8795 7.9920 120.7270 55.2076 18.3372 179.4609 53 L 3.3925 7.5258 117.7818 57.8028 41.5565 179.2704 54 Y 3.8364 7.7160 119.2064 60.5366 38.6743 177.8019 55 I 3.6823 7.5640 120.3522 64.5798 37.3026 178.2325 56 I 2.9792 7.4250 120.3202 64.2193 36.9460 178.3826 57 R 3.7217 7.7461 119.2763 59.4314 29.7951 178.7619 58 K 3.8496 7.7946 118.1564 59.4873 31.7641 179.1956 59 C 4.2094 8.1534 116.4726 62.8984 28.2091 175.8352 60 L 4.2565 8.0220 118.9522 56.3811 41.4283 177.4116 61 N 4.8766 7.7869 113.4480 52.8004 40.7804 175.0992 62 L 4.0026 8.0582 119.7461 55.3543 42.1418 177.0219 63 R 4.7874 8.5327 123.2155 55.2941 28.6872 176.3699 64 L 5.0317 8.4012 118.2913 53.9593 42.7167 176.4838 65 W 4.6860 8.1409 119.2789 54.6375 31.7801 174.7926 66 N 4.8712 8.4536 119.5297 52.7225 39.1081 174.2044 67 N 4.5444 8.8406 122.6439 54.0745 41.1816 175.4704 68 D 4.4126 8.4624 121.1727 55.5051 36.4761 170.8578 69 N 4.7970 8.9277 123.6362 51.7004 37.2944 175.1331 70 K 4.6098 8.2653 118.2534 54.5093 34.3025 175.3896 71 T 4.6545 8.3922 113.1691 60.5826 71.2639 174.0598 72 W 4.0896 8.0171 120.7292 57.4731 27.1700 173.9462 73 D 4.9174 8.8303 117.6802 54.8245 43.6837 177.1244 74 K 4.8092 8.1218 117.0983 54.5656 35.4729 176.2663 75 N 5.8311 8.9437 121.7124 51.0048 39.9341 176.0471 76 V 3.5280 8.6136 117.8133 64.9438 31.1703 178.4392 77 K 3.4690 7.7316 118.5318 59.1596 31.7689 178.7039 78 D 4.2720 8.1740 118.0847 56.7917 40.7695 178.0870 79 L 4.0047 6.7467 114.7218 52.8739 42.0694 175.6472 80 N 4.3525 7.7335 115.9075 53.7902 37.7904 173.4559 81 Y 4.9294 7.9583 114.2856 57.1757 40.0968 174.7429 82 E 5.0938 8.9040 119.0800 54.9172 33.4005 175.4863 83 L 5.2282 8.7587 120.1685 52.9959 45.8907 175.4957 84 L 4.9089 9.0364 126.1508 53.5657 43.9535 174.8908 85 I 4.6386 8.4950 128.4515 59.7059 39.3084 175.0605 86 V 4.3826 8.8065 127.5234 60.6182 34.2614 174.6291 87 S 4.5800 8.7473 123.5495 58.9739 62.9865 174.1828 88 Q 4.5135 9.5927 128.6112 53.9094 28.8557 175.0899 89 F 4.5862 8.4940 119.0165 59.1011 38.6516 178.3166 90 T 4.0464 6.8036 110.9674 63.5459 68.7096 176.1202 91 L 3.8781 7.6681 121.9199 57.2514 41.6534 177.6875 92 F 4.6796 8.1803 116.2449 56.9695 38.8339 175.7959 93 G 3.4239 8.2838 111.0392 45.8731 0.0000 173.0847 94 N 4.6245 9.4185 127.4496 52.5573 39.5118 175.3801 95 T 4.7761 8.2325 113.8611 61.1972 69.6944 174.9529 96 K 4.0675 8.2540 123.6556 59.8121 32.3162 178.6976 97 K 4.0765 8.1414 118.8816 58.7179 32.5762 176.0925 98 G 4.0512 7.3202 103.9778 44.9682 0.0000 171.0564 99 N 4.4373 8.6668 115.1211 54.7036 39.1806 175.3642 100 K 4.1850 7.8442 119.4968 54.8114 32.3838 174.6271 101 P 4.3363 0.0000 0.0000 62.2734 32.0906 175.1669 102 D 4.7052 8.4071 121.1224 52.5852 42.5427 176.9700 103 F 5.5538 8.3633 127.0021 57.6213 39.8317 177.2675 104 H 4.0677 8.5854 119.1027 58.3949 29.2343 177.2391 105 L 3.9549 7.9853 117.9647 56.2067 41.8926 176.3085 106 A 4.1904 7.2311 121.3612 50.9284 19.0269 177.5260 107 K 3.9756 8.5356 125.0046 56.2465 32.9112 176.5866 108 E 4.0092 8.8974 125.2164 56.1761 30.2897 175.9217 109 P 4.4379 0.0000 0.0000 66.2514 31.4487 178.6635 110 N 4.3360 8.3104 114.2826 56.6071 38.6205 177.2870 111 E 4.0891 8.3983 119.1538 58.9936 29.5370 179.2556 112 A 4.2047 8.2584 121.2810 54.9335 18.3798 179.3743 113 L 2.6525 8.0758 119.0946 58.0558 42.1131 179.3702 114 I 3.7075 7.3006 119.0338 64.2374 37.0244 178.2507 115 F 4.2514 8.4055 121.6384 61.3516 39.1904 176.4473 116 Y 4.2533 8.7842 119.5339 61.0794 38.6570 177.8841 117 N 4.1668 8.5399 117.6167 56.2081 38.6000 177.3460 118 K 3.9080 8.1162 121.0108 59.4046 32.2432 178.9710 119 I 3.7396 7.7983 120.1605 64.4847 37.1198 178.4253 120 I 3.7977 7.7993 120.7747 64.6014 36.8361 178.3069 121 D 4.4156 8.1759 119.7699 57.1931 40.5181 178.4498 122 E 4.0146 8.3842 120.0523 59.0851 29.6466 178.6548 123 F 4.1393 8.3260 117.9456 60.8449 38.8522 177.9231 124 K 4.2429 7.9457 116.1972 59.2209 31.8768 179.1341 125 K 4.1246 8.1325 119.3159 59.7178 32.2874 178.6804 126 Q 4.2477 8.3697 116.9229 55.7974 29.1320 175.9022 127 Y 4.9648 8.7529 116.9482 57.3996 38.4901 177.3108 128 N 4.9470 8.5508 113.1467 51.2723 42.3982 173.4505 129 D 4.3117 8.7009 123.7039 57.4794 41.5085 177.3508 130 D 4.4393 7.6390 116.2645 56.2904 41.1225 177.2250 131 K 4.0973 7.4911 117.0722 56.5275 32.5267 175.6697 132 I 4.6719 7.4307 120.0431 59.6278 38.4870 175.0751 133 K 4.7861 9.2157 127.5104 54.6045 34.8505 175.6320 134 I 5.1382 7.5950 114.7347 57.8302 40.8105 175.8157 135 G 4.1467 8.0818 111.0615 46.2372 0.0000 174.9350 136 K 4.5741 8.4823 126.3424 53.9138 33.9110 175.4221 137 F 3.9342 8.9818 129.2814 59.6333 39.5024 174.8554 138 G 3.7810 8.2185 115.0612 46.1006 0.0000 172.4759 139 N 5.1031 7.5510 114.9817 50.5541 41.6507 174.0208 140 Y 4.1134 8.6035 122.1305 58.2690 39.4463 175.3083 141 M 4.9190 7.3890 125.0188 53.4109 36.2868 173.9637 142 N 4.7717 9.1128 121.2597 51.9272 41.4538 173.4227 143 I 4.9312 8.2279 126.2333 59.5160 40.1441 175.2470 144 D 4.5801 8.9864 129.0468 53.9255 41.2762 175.6293 145 V 4.5841 8.2860 123.8439 61.4139 33.7698 175.5259 146 T 4.4125 9.0050 125.8048 62.1217 68.8563 173.0989 147 N 4.8280 8.5770 124.1031 53.2185 39.3745 174.7878 148 D 4.2933 10.3434 125.6690 55.2657 40.4907 173.8516 149 G 3.5855 8.7543 117.4870 44.5266 0.0000 170.7713 150 P 4.5075 0.0000 0.0000 61.3870 32.8313 175.7517 151 V 4.4453 8.0855 117.3791 61.5824 34.4341 173.9851 152 T 5.1949 8.6887 124.1711 61.8780 71.5039 173.4117 153 I 4.6151 9.0044 127.5580 59.5022 40.4371 173.9387 154 Y 5.2705 8.6597 126.6745 55.8980 41.3560 174.6486 155 I 4.4410 7.9563 126.0514 59.3548 41.7583 173.6911 156 D 5.1626 8.2650 125.5544 52.4289 43.2957 176.5466 157 T 3.7767 9.0709 117.8214 64.7304 68.9694 175.9588 158 H 4.3069 8.3343 118.1287 57.6187 28.7113 175.6844 159 D 4.6201 7.9124 118.3493 54.6736 41.2958 176.3210 160 I 4.3116 7.1809 120.2760 58.9295 39.0617 174.8589 161 N 4.2986 8.3237 122.9623 54.6588 39.3704 174.8647 162 L 4.1215 8.5801 124.4671 54.9855 41.1011 173.9014 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 9.17 4.95 0.00 1.35 1.68 0.00 2.21 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 1.42 1.46 0.00 3 V 8.78 4.96 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 0.68 0.00 0.00 1.09 0.00 0.00 4 V 8.96 4.80 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 1.09 0.00 0.00 1.09 0.00 0.00 5 I 9.09 5.05 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 1.30 0.66 0.95 0.00 0.00 6 Q 9.16 5.13 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 7 R 8.72 4.65 0.00 1.63 1.62 0.00 2.21 0.00 0.00 2.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.00 8 V 8.94 5.03 2.38 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 0.79 0.00 0.00 1.00 0.00 0.00 9 K 8.71 4.38 0.00 1.65 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.40 7.81 10 G 7.78 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 11 A 8.35 5.25 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 0.00 0.00 12 I 8.93 4.74 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 1.11 1.04 0.91 0.00 0.00 13 L 9.14 5.12 0.00 1.62 1.50 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.32 5.34 0.00 3.75 3.72 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 0.00 0.00 0.00 15 V 8.50 4.91 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 0.91 0.00 0.00 0.97 0.00 0.00 16 R 8.85 4.47 0.00 1.84 1.87 0.00 3.17 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 17 K 8.11 3.64 0.00 1.95 1.72 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.23 7.81 *26 E 7.64 4.40 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 27 L 8.04 5.37 0.00 1.56 1.56 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.50 4.60 0.00 1.98 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 0.00 2.20 2.26 0.00 29 I 8.56 4.39 1.88 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 1.41 0.66 0.91 0.00 0.00 30 I 8.80 4.46 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 1.33 0.67 0.93 0.00 0.00 31 S 7.87 4.85 0.00 3.73 3.72 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 0.00 0.00 0.00 32 E 8.58 5.24 0.00 1.91 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 2.18 2.42 0.00 33 I 8.83 4.96 1.85 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 1.20 0.68 0.88 0.00 0.00 34 K 9.21 4.68 0.00 1.95 1.18 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.41 7.81 35 N 8.62 4.50 0.00 1.44 1.42 0.00 0.00 6.66 7.58 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 36 G 7.07 4.41 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 0.00 37 L 8.66 5.29 0.00 1.66 1.58 1.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.54 4.51 1.76 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 1.35 1.02 0.00 0.00 39 C 9.17 5.15 0.00 2.78 2.87 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 40 F 9.44 4.98 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.52 5.08 0.00 1.89 1.75 1.13 1.49 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 42 G 9.72 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.73 5.14 2.13 0.00 0.00 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 1.74 1.12 0.94 0.00 0.00 44 H 9.47 3.88 0.00 3.12 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.91 3.70 0.00 1.59 1.80 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.33 7.81 46 N 8.01 4.92 0.00 2.78 2.82 0.00 0.00 6.92 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 7.73 4.62 0.00 2.54 2.52 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 48 T 8.95 4.62 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 1.26 0.00 0.00 49 W 8.86 4.63 0.00 3.51 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 50 E 7.98 4.11 0.00 2.04 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 2.42 2.54 0.00 51 D 8.03 4.35 0.00 3.08 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 52 A 7.99 3.88 0.68 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 0.00 0.00 53 L 7.53 3.39 0.00 1.35 1.48 0.86 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.72 3.84 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.56 3.68 2.01 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 1.84 0.93 1.01 0.00 0.00 56 I 7.43 2.98 1.48 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.19 0.29 0.00 0.00 57 R 7.75 3.72 0.00 1.76 1.80 0.00 3.00 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 58 K 7.79 3.85 0.00 1.75 1.71 0.00 1.57 0.00 0.00 1.41 0.00 0.00 2.39 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.71 1.15 7.81 59 C 8.15 4.21 0.00 3.41 3.28 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 60 L 8.02 4.26 0.00 1.59 1.64 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.79 4.88 0.00 2.82 2.78 0.00 0.00 7.00 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.06 4.00 0.00 1.81 1.66 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.53 4.79 0.00 2.09 2.14 0.00 3.14 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 64 L 8.40 5.03 0.00 1.06 1.41 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.14 4.69 0.00 3.60 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 66 N 8.45 4.87 0.00 2.60 2.75 0.00 0.00 6.69 8.00 0.00 0.00 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 8.84 4.54 0.00 2.64 2.79 0.00 0.00 7.39 8.34 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 68 D 8.46 4.41 0.00 2.80 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 69 N 8.93 4.80 0.00 2.83 3.18 0.00 0.00 7.01 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 70 K 8.27 4.61 0.00 1.97 1.71 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.34 7.81 71 T 8.39 4.65 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 1.18 0.00 0.00 72 W 8.02 4.09 0.00 3.42 3.33 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 73 D 8.83 4.92 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 74 K 8.12 4.81 0.00 1.77 1.61 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.31 7.81 75 N 8.94 5.83 0.00 3.04 3.22 0.00 0.00 6.49 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 76 V 8.61 3.53 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.19 0.00 0.00 77 K 7.73 3.47 0.00 1.69 1.55 0.00 1.39 0.00 0.00 1.45 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 1.10 7.81 78 D 8.17 4.27 0.00 2.67 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 79 L 6.75 4.00 0.00 0.27 0.13 0.15 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.73 4.35 0.00 2.76 2.81 0.00 0.00 7.15 8.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.96 4.93 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 8.90 5.09 0.00 1.92 1.83 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 2.22 2.29 0.00 83 L 8.76 5.23 0.00 1.47 1.34 1.16 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.04 4.91 0.00 1.63 1.41 0.89 0.80 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 85 I 8.50 4.64 1.80 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 0.74 0.60 0.99 0.00 0.00 86 V 8.81 4.38 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 0.91 0.00 0.00 0.76 0.00 0.00 87 S 8.75 4.58 0.00 3.49 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.59 4.51 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 89 F 8.49 4.59 0.00 3.35 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 90 T 6.80 4.05 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 0.17 0.00 0.00 91 L 7.67 3.88 0.00 1.61 1.53 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.18 4.68 0.00 3.41 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 93 G 8.28 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 0.00 0.00 0.00 94 N 9.42 4.62 0.00 2.68 2.65 0.00 0.00 6.40 7.10 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 95 T 8.23 4.78 4.19 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 1.18 0.00 0.00 96 K 8.25 4.07 0.00 1.90 1.90 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.36 7.81 97 K 8.14 4.08 0.00 1.67 1.79 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.48 7.81 98 G 7.32 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 0.00 0.00 0.00 99 N 8.67 4.44 0.00 2.71 2.87 0.00 0.00 6.72 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 7.84 4.18 0.00 1.72 1.72 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.49 7.81 101 P 0.00 4.34 0.00 1.47 1.72 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 102 D 8.41 4.71 0.00 2.61 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 0.00 103 F 8.36 5.55 0.00 3.20 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 0.00 104 H 8.59 4.07 0.00 3.28 3.38 0.00 5.70 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 7.99 3.95 0.00 1.78 1.46 1.09 0.91 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 0.00 106 A 7.23 4.19 1.44 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 0.00 107 K 8.54 3.98 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.44 1.31 7.81 108 E 8.90 4.01 0.00 2.10 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 2.35 2.40 0.00 109 P 0.00 4.44 0.00 2.22 2.26 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 110 N 8.31 4.34 0.00 3.09 2.87 0.00 0.00 7.13 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 8.40 4.09 0.00 2.06 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 2.33 2.53 0.00 112 A 8.26 4.20 1.76 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 0.00 113 L 8.08 2.65 0.00 1.06 1.59 0.41 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.30 3.71 1.90 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 1.41 0.43 0.96 0.00 0.00 115 F 8.41 4.25 0.00 3.37 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.78 4.25 0.00 3.35 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 0.00 117 N 8.54 4.17 0.00 2.87 2.83 0.00 0.00 6.74 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 0.00 118 K 8.12 3.91 0.00 1.90 1.88 0.00 1.31 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.75 1.13 7.81 119 I 7.80 3.74 2.01 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 1.24 0.48 1.00 0.00 0.00 120 I 7.80 3.80 1.85 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.83 0.85 0.00 0.00 121 D 8.18 4.42 0.00 2.84 2.72 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 0.00 0.00 0.00 122 E 8.38 4.01 0.00 2.54 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 0.00 2.24 2.27 0.00 123 F 8.33 4.14 0.00 3.32 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.95 4.24 0.00 1.96 1.89 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 125 K 8.13 4.12 0.00 1.96 2.05 0.00 1.83 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.51 7.81 126 Q 8.37 4.25 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 127 Y 8.75 4.96 0.00 2.98 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.55 4.95 0.00 2.41 1.79 0.00 0.00 6.52 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 8.70 4.31 0.00 2.62 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 0.00 130 D 7.64 4.44 0.00 2.86 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 0.00 131 K 7.49 4.10 0.00 0.99 1.54 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 0.80 7.81 132 I 7.43 4.67 1.83 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 1.54 1.01 0.74 0.00 0.00 133 K 9.22 4.79 0.00 1.56 1.66 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.47 7.81 134 I 7.59 5.14 2.09 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 1.26 1.14 0.91 0.00 0.00 135 G 8.08 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 0.00 136 K 8.48 4.57 0.00 1.79 1.68 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 137 F 8.98 3.93 0.00 2.84 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 0.00 138 G 8.22 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 0.00 0.00 0.00 139 N 7.55 5.10 0.00 2.87 2.75 0.00 0.00 6.80 7.81 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 0.00 140 Y 8.60 4.11 0.00 2.93 2.88 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 0.00 141 M 7.39 4.92 0.00 1.75 1.71 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 2.58 2.45 0.00 142 N 9.11 4.77 0.00 2.90 2.70 0.00 0.00 6.95 7.82 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 0.00 143 I 8.23 4.93 1.90 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 1.29 0.73 0.88 0.00 0.00 144 D 8.99 4.58 0.00 2.62 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 0.00 145 V 8.29 4.58 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 0.86 0.00 0.00 0.99 0.00 0.00 146 T 9.00 4.41 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 1.21 0.00 0.00 147 N 8.58 4.83 0.00 2.62 2.78 0.00 0.00 7.02 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 10.34 4.29 0.00 2.66 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 0.00 149 G 8.75 3.59 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 0.00 0.00 0.00 150 P 0.00 4.51 0.00 2.20 2.08 0.00 3.72 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 0.00 151 V 8.09 4.45 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 1.16 0.00 0.00 0.98 0.00 0.00 152 T 8.69 5.19 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 1.24 0.00 0.00 153 I 9.00 4.62 1.88 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 1.11 0.91 0.90 0.00 0.00 154 Y 8.66 5.27 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 7.96 4.44 1.78 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 1.13 0.63 1.01 0.00 0.00 156 D 8.27 5.16 0.00 2.61 2.67 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 0.00 157 T 9.07 3.78 4.21 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 1.34 0.00 0.00 158 H 8.33 4.31 0.00 3.32 3.40 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.91 4.62 0.00 2.80 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 0.00 160 I 7.18 4.31 1.41 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 1.18 0.13 0.57 0.00 0.00 161 N 8.32 4.30 0.00 2.62 2.69 0.00 0.00 7.41 7.78 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 0.00 162 L 8.58 4.12 0.00 1.68 2.00 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.