NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.5699 8.0632 120.5689 55.5367 33.2100 173.1735 2 R 5.4059 8.8089 123.9964 51.4076 33.1984 170.3091 3 V 5.2730 7.7877 121.3229 59.1696 35.5215 173.7709 4 V 4.5226 8.6562 125.3431 61.7947 33.0279 174.1807 5 I 4.9788 8.8217 129.8710 59.9527 39.3950 174.8832 6 Q 5.1114 9.3095 125.2789 53.9839 32.4432 174.5655 7 R 4.4785 8.5621 124.5341 55.9779 31.4452 175.5520 8 V 5.0448 9.4283 121.6722 60.2598 35.4299 177.4077 9 K 4.1511 9.2712 127.3021 55.8379 32.3850 176.9939 10 G 4.7678 7.4065 106.6193 46.4829 0.0000 171.1200 11 A 5.2607 8.2476 120.8317 50.6896 23.2963 175.6769 12 I 4.4385 9.0650 122.2717 59.4605 40.7588 174.3092 13 L 4.8444 8.5582 130.1591 54.3330 43.5761 175.8064 14 S 5.6119 8.5242 121.6207 56.8924 66.3728 173.6668 15 V 4.7380 8.3638 108.2798 62.8717 38.0350 174.8564 *27 L 4.1800 7.8368 119.4139 54.4408 42.9114 176.0792 28 E 4.5120 8.5051 123.1048 54.3115 32.8522 174.4689 29 I 4.8336 8.8745 128.6096 61.1275 36.4802 175.5986 30 I 4.2117 8.3895 121.4859 62.1594 39.0168 175.5544 31 S 4.7153 7.5641 115.6945 56.9685 66.4535 172.1466 32 E 5.2439 8.1051 119.6387 55.4346 32.1717 174.6401 33 I 4.8813 8.4636 122.1332 58.6576 41.8269 178.0864 34 K 4.5622 8.4347 121.6041 53.8645 31.3778 179.5847 35 N 4.4935 8.6693 116.2731 55.2953 39.3937 172.5204 36 G 4.2108 7.2950 109.0288 44.9373 0.0000 172.6285 37 L 5.4820 8.7333 124.1091 52.8917 45.8930 175.4214 38 I 4.6111 8.6505 120.9201 59.4785 41.3623 174.0644 39 C 5.2215 8.3265 125.8741 57.6560 30.7557 172.9522 40 F 4.7082 8.8714 123.6891 57.2229 40.0901 174.4976 41 L 5.1172 9.4323 125.2337 53.3979 45.4566 175.0224 42 G 4.5709 9.8196 117.1243 46.3346 0.0000 172.9688 43 I 4.9122 8.3396 126.5024 59.2340 36.9678 171.4405 44 H 3.5562 10.3442 132.0202 54.8615 30.5718 176.6828 45 K 3.8553 7.9537 128.1022 57.7089 31.4067 177.7379 46 N 5.0731 8.0295 114.5615 52.7871 39.0988 174.6704 47 D 4.6892 8.2308 119.7605 54.4672 41.3965 176.9181 48 T 4.4879 8.4363 114.2158 60.0226 70.6299 175.4783 49 W 4.1895 8.7678 132.8868 60.0487 30.7278 178.0586 50 E 4.2273 8.5646 114.3392 58.2434 29.7494 183.8488 51 D 4.4013 8.3372 117.0716 57.9073 40.5775 178.2460 52 A 3.7172 7.4518 120.7407 55.3424 18.3450 179.6003 53 L 3.7206 7.4740 116.9572 58.4516 41.5321 178.2842 54 Y 3.9111 7.8128 117.9602 61.2627 38.5253 178.1941 55 I 3.3765 8.2747 116.3316 64.7488 37.3907 178.4715 56 I 3.1592 7.5514 121.1080 65.0787 37.1941 178.5982 57 R 3.9162 8.1163 123.7122 62.7016 29.1434 181.3621 58 K 4.1331 8.3277 125.1138 59.1951 31.4908 181.0049 59 C 3.9851 8.4109 118.5736 62.4782 28.3213 176.2157 60 L 4.3878 8.3882 120.1364 56.3250 41.6900 177.8815 61 N 4.7702 8.1022 113.6319 51.9543 39.5373 175.4209 62 L 3.9466 7.9266 123.0162 54.9446 42.0541 176.5884 63 R 4.7705 8.5909 123.3623 55.6035 29.4203 175.8753 64 L 5.0085 9.3130 121.8844 53.7893 43.2331 176.7994 65 W 4.7203 8.0282 119.3132 54.4154 31.9981 174.9910 66 N 4.7028 8.6247 120.4267 53.6155 38.7435 174.4936 67 N 4.9634 8.6187 119.6044 52.6605 40.2308 176.3314 68 D 4.5841 8.5441 127.8844 55.0018 37.6379 176.8045 69 N 4.8099 9.4292 115.9971 53.5236 38.7008 178.2715 70 K 4.4281 7.4730 121.4823 53.9317 30.3483 181.4282 71 T 4.1506 8.0004 114.8396 61.4516 70.0085 174.9331 72 W 3.8496 7.5709 120.9596 58.2039 27.1344 174.1721 73 D 4.8784 8.1969 120.5522 55.5932 43.1040 177.7810 74 K 5.0573 8.3464 121.0187 53.3836 35.8008 177.5896 75 N 5.7455 9.0392 120.2081 50.4698 40.2273 176.2337 76 V 3.3942 8.0327 119.4468 65.0555 31.2035 178.6262 77 K 3.6756 7.8632 118.5007 58.8880 31.6667 178.8589 78 D 4.3423 8.4645 118.9611 56.4410 40.7279 177.7442 79 L 4.0454 6.7097 115.4196 52.6170 43.1674 176.6676 80 N 4.6441 7.1225 112.2747 53.3540 35.9094 172.0320 81 Y 5.2098 8.1363 116.6324 56.2187 42.4375 174.9059 82 E 4.8689 8.6045 119.8255 55.3373 32.8861 175.2869 83 L 5.3553 8.5751 119.1292 53.0176 46.5392 175.6330 84 L 4.9690 8.4240 125.6720 53.1083 43.1015 174.1655 85 I 4.2743 8.2962 126.9869 60.8230 38.5750 175.1462 86 V 4.4264 8.7010 127.0252 60.6012 34.2263 174.2931 87 S 4.2777 8.2066 123.4734 59.0111 62.5112 173.1310 88 Q 4.5088 9.3973 130.2858 54.4170 30.5239 175.9684 89 F 4.4871 8.5750 122.7346 59.2862 39.1338 177.5326 90 T 3.9851 6.4998 109.1938 62.6780 68.3857 175.6725 91 L 4.0979 7.8697 122.2130 57.2324 42.1486 177.1333 92 F 4.6997 8.9159 119.0243 57.0347 39.5644 176.6538 93 G 4.0641 7.9973 107.9178 44.7157 0.0000 173.5729 94 N 4.6383 8.4407 126.7580 53.1697 39.3053 174.6999 95 T 4.4617 8.4989 117.0257 61.8329 69.7325 175.6867 96 K 4.1610 8.4987 127.7864 58.2414 33.4414 184.2750 97 K 4.1278 8.5771 118.7833 55.5202 30.5458 181.1220 98 G 4.0203 8.9835 108.3346 45.2377 0.0000 173.9110 99 N 4.5865 8.6472 116.6319 53.5537 38.3558 175.8637 100 K 4.5931 7.3169 119.7615 51.8093 34.8416 179.1234 101 P 4.5809 0.0000 0.0000 63.5920 30.7138 175.8203 102 D 5.2176 6.7322 124.9928 56.0173 42.1687 176.9729 103 F 5.9049 7.6558 125.3578 57.3821 39.4687 178.3598 *104 H 4.0768 8.2351 123.5917 58.5196 27.7570 180.4228 105 L 4.2116 8.0195 117.0077 55.3447 41.0710 179.1389 106 A 4.2736 8.0864 122.5992 53.0509 19.1326 178.3725 107 K 4.2065 8.2945 126.9375 55.3013 32.7688 177.8087 108 E 3.7663 8.7944 120.9470 55.6668 30.5448 174.4641 109 P 4.2471 0.0000 0.0000 65.3039 31.4681 178.6976 110 N 4.1961 8.1659 116.6231 57.0385 38.5809 177.3152 111 E 3.9015 8.3008 118.8013 61.7444 29.4300 181.0204 112 A 4.3581 8.5211 121.7201 54.7384 18.5846 179.3490 113 L 3.5841 7.7016 118.8529 58.4320 41.7996 179.4629 114 I 3.8578 7.6136 120.7672 64.7820 37.4543 178.6990 *115 F 4.3812 8.4914 121.9235 62.3621 38.0373 178.6405 116 Y 4.6305 9.7532 120.5042 60.9318 38.4492 178.2430 117 N 4.3568 8.5188 119.3778 56.4973 38.5285 178.0674 118 K 4.0685 8.0392 124.9003 60.2087 31.7497 181.8743 119 I 3.9981 7.9597 120.7804 64.1137 36.9806 178.4270 120 I 3.5748 7.7108 120.3932 64.3335 36.5927 178.1235 121 D 4.4330 8.3296 121.7383 58.0257 41.1605 178.6936 122 E 4.2582 8.6408 118.8335 61.4996 29.7441 180.9527 123 F 4.4064 8.8995 119.9869 60.8409 38.8815 178.4452 124 K 4.2387 8.0569 118.3539 59.9460 31.8207 179.8292 125 K 4.1799 8.0679 125.8178 60.2778 31.6972 182.4902 126 Q 4.4273 8.0501 121.0511 61.9972 28.8008 178.8863 127 Y 5.3018 8.4236 124.4397 56.0706 41.6479 173.0231 128 N 4.9304 7.0723 115.5654 51.7806 41.0763 175.9799 129 D 4.3161 8.7320 124.6490 57.6624 41.3421 177.9234 130 D 4.4922 8.2381 116.0848 56.0892 41.0647 176.5994 131 K 4.3702 7.7525 117.9592 56.0073 33.6637 175.5548 132 I 4.8761 7.2522 120.9505 59.3853 39.0141 175.2732 133 K 4.8757 9.1953 126.3350 54.6764 35.9300 174.9194 134 I 5.1197 7.5876 113.9666 59.5823 41.1363 174.1303 135 G 3.9865 7.9476 111.7465 43.9772 0.0000 173.2988 136 K 4.3348 8.2384 120.8372 54.2963 31.3431 175.6519 137 F 3.7406 9.0154 127.9422 59.5073 39.6926 174.6918 138 G 4.3711 8.5415 112.0823 46.5767 0.0000 172.6777 139 N 5.0940 7.6546 113.6191 50.6189 42.2598 174.1564 140 Y 4.0260 8.7939 122.9460 58.2166 39.1702 175.0457 141 M 4.8120 7.7454 125.8466 53.5836 35.7614 175.2505 142 N 4.6278 8.4557 116.6521 52.4202 41.8243 172.8259 143 I 4.7089 8.2637 127.3339 59.6425 39.3135 175.5333 144 D 4.6745 9.1016 129.1820 53.4339 41.3832 175.6137 145 V 4.6849 8.3027 123.5515 61.3070 33.9747 175.1690 146 T 4.5216 8.7478 123.9984 61.8985 70.6758 172.8631 147 N 4.9327 8.7448 124.8129 52.6635 39.6647 174.9920 148 D 4.1631 10.3625 125.1504 55.7835 40.8296 173.5531 149 G 3.7255 8.7740 118.7764 44.3769 0.0000 172.9205 150 P 4.3952 0.0000 0.0000 61.7689 33.8918 176.3713 151 V 4.2690 7.9644 119.0337 63.2800 33.3425 172.9638 152 T 5.0033 8.4875 124.7103 61.8129 70.3391 173.9218 153 I 4.5790 8.5999 127.5754 59.6182 39.8873 174.2471 154 Y 5.2952 8.5800 126.4748 56.2132 41.7972 174.7525 155 I 4.4491 7.0774 123.6522 59.8742 42.2709 173.2214 156 D 5.1726 8.4223 126.2774 52.5366 42.0320 175.8006 157 T 3.7482 8.7407 117.1044 64.0410 70.1936 177.2717 158 H 4.4544 8.0014 118.6340 55.6294 28.1305 175.0217 159 D 4.3862 9.2754 125.4593 54.5905 41.5688 175.6826 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 8.06 5.57 0.00 1.73 2.07 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 2.00 0.00 2 R 8.81 5.41 0.00 1.77 1.62 0.00 2.21 0.00 0.00 2.98 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 0.00 3 V 7.79 5.27 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 0.95 0.00 0.00 1.06 0.00 0.00 4 V 8.66 4.52 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.04 0.00 0.00 5 I 8.82 4.98 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 0.94 0.00 0.00 6 Q 9.31 5.11 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 7 R 8.56 4.48 0.00 1.63 1.74 0.00 2.21 0.00 0.00 2.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 8 V 9.43 5.04 2.36 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 0.76 0.00 0.00 1.00 0.00 0.00 9 K 9.27 4.15 0.00 1.53 1.72 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.27 7.81 10 G 7.41 4.77 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 0.00 0.00 0.00 11 A 8.25 5.26 1.16 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 0.00 0.00 12 I 9.06 4.44 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 1.11 0.64 0.91 0.00 0.00 13 L 8.56 4.84 0.00 1.72 1.50 0.89 0.64 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 14 S 8.52 5.61 0.00 3.81 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 15 V 8.36 4.74 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 1.01 0.00 0.00 *27 L 7.84 4.18 0.00 1.58 1.68 0.99 0.88 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 8.51 4.51 0.00 2.01 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 2.28 2.33 0.00 29 I 8.87 4.83 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 1.04 1.80 0.98 0.00 0.00 30 I 8.39 4.21 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 1.01 0.00 0.00 31 S 7.56 4.72 0.00 3.94 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 8.11 5.24 0.00 1.94 1.73 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 2.08 2.32 0.00 33 I 8.46 4.88 1.84 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 1.05 0.52 0.88 0.00 0.00 34 K 8.43 4.56 0.00 1.72 0.95 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.25 7.81 35 N 8.67 4.49 0.00 1.77 1.42 0.00 0.00 6.79 7.65 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 36 G 7.30 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 0.00 0.00 0.00 0.00 37 L 8.73 5.48 0.00 1.72 1.60 1.10 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.65 4.61 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.36 0.84 0.00 0.00 39 C 8.33 5.22 0.00 2.79 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 40 F 8.87 4.71 0.00 3.00 2.95 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 41 L 9.43 5.12 0.00 1.82 1.60 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.82 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.91 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 0.75 0.91 0.00 0.00 44 H 10.34 3.56 0.00 3.13 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.95 3.86 0.00 1.80 1.75 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.33 7.81 46 N 8.03 5.07 0.00 2.79 2.89 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 8.23 4.69 0.00 2.89 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 48 T 8.44 4.49 4.30 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 0.00 0.00 0.00 1.25 0.00 0.00 49 W 8.77 4.19 0.00 3.47 3.15 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 50 E 8.56 4.23 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 51 D 8.34 4.40 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 52 A 7.45 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.47 3.72 0.00 1.63 1.67 1.15 0.42 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 54 Y 7.81 3.91 0.00 3.18 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 55 I 8.27 3.38 1.89 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 0.71 1.02 0.00 0.00 56 I 7.55 3.16 1.58 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.15 0.28 0.00 0.00 57 R 8.12 3.92 0.00 1.83 1.96 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 58 K 8.33 4.13 0.00 1.73 1.78 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 59 C 8.41 3.99 0.00 3.40 3.27 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 60 L 8.39 4.39 0.00 1.86 1.67 1.22 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.10 4.77 0.00 2.75 2.82 0.00 0.00 7.08 8.70 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 62 L 7.93 3.95 0.00 1.84 1.65 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.59 4.77 0.00 1.92 2.17 0.00 3.18 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 64 L 9.31 5.01 0.00 1.21 1.28 0.88 0.82 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 65 W 8.03 4.72 0.00 3.51 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 8.62 4.70 0.00 2.60 2.65 0.00 0.00 6.81 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 8.62 4.96 0.00 2.75 2.66 0.00 0.00 7.76 9.28 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 68 D 8.54 4.58 0.00 2.92 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 0.00 0.00 0.00 69 N 9.43 4.81 0.00 2.72 2.72 0.00 0.00 6.41 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 7.47 4.43 0.00 1.70 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 1.24 7.81 71 T 8.00 4.15 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 72 W 7.57 3.85 0.00 3.38 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 73 D 8.20 4.88 0.00 2.96 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 74 K 8.35 5.06 0.00 1.47 1.62 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.21 7.81 75 N 9.04 5.75 0.00 3.10 3.17 0.00 0.00 6.63 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.03 3.39 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 0.79 0.00 0.00 1.09 0.00 0.00 77 K 7.86 3.68 0.00 1.67 1.55 0.00 1.34 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.01 7.81 78 D 8.46 4.34 0.00 2.65 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 6.71 4.05 0.00 0.27 0.13 0.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.12 4.64 0.00 2.73 2.77 0.00 0.00 6.75 7.26 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 81 Y 8.14 5.21 0.00 2.68 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 82 E 8.60 4.87 0.00 1.95 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 2.22 2.27 0.00 83 L 8.58 5.36 0.00 1.48 1.35 1.13 0.25 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 84 L 8.42 4.97 0.00 1.67 1.43 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.30 4.27 1.89 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 0.79 0.57 1.14 0.00 0.00 86 V 8.70 4.43 1.81 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 0.95 0.00 0.00 0.81 0.00 0.00 87 S 8.21 4.28 0.00 2.72 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 88 Q 9.40 4.51 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 89 F 8.57 4.49 0.00 3.26 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 90 T 6.50 3.99 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 -0.10 0.00 0.00 91 L 7.87 4.10 0.00 1.93 1.70 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.92 4.70 0.00 3.20 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 93 G 8.00 4.06 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 0.00 0.00 0.00 94 N 8.44 4.64 0.00 2.70 2.70 0.00 0.00 6.96 8.45 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 95 T 8.50 4.46 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 1.13 0.00 0.00 96 K 8.50 4.16 0.00 1.82 1.77 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.26 7.81 97 K 8.58 4.13 0.00 1.77 1.43 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.01 7.81 98 G 8.98 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.65 4.59 0.00 2.69 2.83 0.00 0.00 6.53 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 7.32 4.59 0.00 1.86 1.54 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.23 7.81 101 P 0.00 4.58 0.00 1.56 1.53 0.00 3.76 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 102 D 6.73 5.22 0.00 2.69 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 0.00 103 F 7.66 5.90 0.00 3.28 3.29 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 *104 H 8.24 4.08 0.00 2.88 3.01 0.00 7.20 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.02 4.21 0.00 1.57 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.09 4.27 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.29 4.21 0.00 1.51 1.61 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.27 7.81 108 E 8.79 3.77 0.00 1.65 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.97 0.00 109 P 0.00 4.25 0.00 2.09 2.14 0.00 3.53 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 110 N 8.17 4.20 0.00 2.77 2.80 0.00 0.00 7.14 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 8.30 3.90 0.00 1.97 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 2.33 1.99 0.00 112 A 8.52 4.36 1.52 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 0.00 113 L 7.70 3.58 0.00 0.91 1.58 0.82 0.64 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 0.00 114 I 7.61 3.86 2.05 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 1.37 0.79 0.93 0.00 0.00 *115 F 8.49 4.38 0.00 2.25 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 0.00 0.00 0.00 0.00 116 Y 9.75 4.63 0.00 3.33 3.56 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 0.00 0.00 0.00 0.00 117 N 8.52 4.36 0.00 2.87 2.87 0.00 0.00 7.11 7.52 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 0.00 118 K 8.04 4.07 0.00 1.80 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.37 7.81 119 I 7.96 4.00 1.93 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 1.62 1.12 0.56 0.00 0.00 120 I 7.71 3.57 1.89 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 0.86 0.00 0.00 121 D 8.33 4.43 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.64 4.26 0.00 1.96 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 2.25 2.25 0.00 123 F 8.90 4.41 0.00 3.30 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.06 4.24 0.00 1.85 1.91 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.87 7.81 125 K 8.07 4.18 0.00 1.89 1.70 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 126 Q 8.05 4.43 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.02 0.00 127 Y 8.42 5.30 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.07 4.93 0.00 2.59 1.94 0.00 0.00 6.55 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 8.73 4.32 0.00 2.72 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 0.00 130 D 8.24 4.49 0.00 2.72 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 0.00 131 K 7.75 4.37 0.00 1.11 1.51 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.93 0.84 7.81 132 I 7.25 4.88 1.84 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 1.21 0.90 0.79 0.00 0.00 133 K 9.20 4.88 0.00 1.54 1.64 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.45 7.81 134 I 7.59 5.12 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.36 0.90 0.00 0.00 135 G 7.95 3.99 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 0.00 136 K 8.24 4.33 0.00 1.85 1.79 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.81 1.50 7.81 137 F 9.02 3.74 0.00 3.17 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 0.00 138 G 8.54 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.65 5.09 0.00 3.02 2.76 0.00 0.00 6.78 7.34 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 0.00 140 Y 8.79 4.03 0.00 2.98 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 7.75 4.81 0.00 1.82 1.79 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 142 N 8.46 4.63 0.00 2.95 2.69 0.00 0.00 7.47 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 0.00 143 I 8.26 4.71 1.91 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 1.31 0.74 0.87 0.00 0.00 144 D 9.10 4.67 0.00 2.71 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 8.30 4.68 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 0.88 0.00 0.00 0.97 0.00 0.00 146 T 8.75 4.52 4.36 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 1.21 0.00 0.00 147 N 8.74 4.93 0.00 2.59 2.76 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 10.36 4.16 0.00 2.67 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 0.00 149 G 8.77 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 0.00 0.00 0.00 150 P 0.00 4.40 0.00 2.07 2.04 0.00 3.71 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 2.03 2.07 0.00 151 V 7.96 4.27 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 1.18 0.00 0.00 0.95 0.00 0.00 152 T 8.49 5.00 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 1.32 0.00 0.00 153 I 8.60 4.58 1.89 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 1.10 0.68 0.93 0.00 0.00 154 Y 8.58 5.30 0.00 2.89 2.78 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 0.00 155 I 7.08 4.45 1.78 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.34 1.00 0.00 0.00 156 D 8.42 5.17 0.00 2.65 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 0.00 157 T 8.74 3.75 4.13 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 1.31 0.00 0.00 158 H 8.00 4.45 0.00 3.16 3.38 0.00 5.61 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 9.28 4.39 0.00 2.52 2.45 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.