NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2547 8.1593 117.3739 63.5746 69.7500 174.1871 2 S 4.4260 8.3360 121.9377 56.0041 66.6236 173.2703 3 K 4.0582 9.1075 122.4941 59.5954 32.3701 179.6584 4 K 3.8493 8.0744 118.3390 59.6629 31.8045 178.9523 5 K 3.9656 7.7220 117.6085 59.1722 32.1249 178.0087 6 R 4.2981 7.5567 115.7072 56.7861 30.7485 177.9748 7 Q 4.1092 8.0429 119.1336 57.0716 28.4261 176.1691 8 R 4.0919 7.4522 119.4288 58.0718 30.1739 176.6723 9 G 4.0700 9.0595 111.8397 45.2800 0.0000 174.0622 10 S 4.1811 7.8479 113.2633 58.5959 63.6508 174.7261 11 R 4.1789 8.0870 125.3966 57.4927 29.2428 176.8422 12 T 4.2498 7.6277 105.3298 61.6073 69.6319 174.3952 13 H 4.5708 8.6073 117.9464 55.8159 26.5092 175.8658 14 G 3.9489 8.4403 106.2371 45.6972 0.0000 175.4845 15 G 4.0109 8.0746 107.6504 45.4672 0.0000 175.1609 16 G 3.9372 7.2788 109.9217 46.0463 0.0000 176.8447 17 S 4.2756 8.5240 119.6465 57.8653 62.6233 174.0241 18 H 4.4126 8.8556 120.9700 56.9931 28.2284 175.8174 19 K 4.1377 7.5614 118.5556 56.8642 31.8822 177.3275 20 N 4.3157 7.5743 117.9211 55.6607 39.3420 176.6510 21 R 4.4726 7.4784 120.0292 56.8060 28.8756 177.2146 22 R 4.6500 7.1563 123.3195 56.3954 30.5946 179.2152 23 G 4.0236 8.4425 118.8746 45.6849 0.0000 173.3872 24 A 4.3731 8.6543 122.5036 53.6653 18.5029 179.7433 25 G 3.5313 7.9779 104.8482 47.8552 0.0000 175.1076 26 H 4.3970 7.8667 117.7793 57.7721 29.9220 176.2456 27 R 4.5521 7.6435 116.9445 55.1866 31.0626 175.6454 28 G 3.7888 8.6921 107.0412 47.1394 0.0000 173.1504 29 G 3.8439 7.8711 104.9888 44.0232 0.0000 174.1263 30 R 4.4591 8.5552 117.5368 55.6245 32.3425 177.1692 31 G 3.7323 8.3047 109.6899 47.4643 0.0000 173.8934 32 D 4.6979 8.6116 123.8186 54.1473 40.6869 175.6750 33 A 3.9310 7.4319 122.6247 53.9416 18.8523 178.7639 34 G 3.7595 8.9612 109.1921 46.0218 0.0000 175.5283 35 R 3.8307 7.6495 117.5625 57.7525 29.3093 177.4191 36 D 5.2753 7.8871 115.9086 52.6356 42.1053 174.9335 37 K 4.5967 8.3576 117.1826 57.4937 32.0738 177.5792 38 H 4.4988 9.7792 125.8098 58.4103 29.0715 176.2360 39 E 4.6446 8.0716 120.5838 55.6853 30.2793 177.9047 40 F 4.6675 8.1290 115.5992 59.1324 38.1008 175.3365 41 H 3.8117 6.1967 118.5202 57.3809 29.0005 174.8533 42 N 4.2095 8.7789 121.0988 53.5833 35.2016 172.7634 43 H 4.8041 7.6356 113.3419 54.1500 33.4467 173.8749 44 E 4.1364 8.7681 124.0825 55.3186 29.9395 175.2935 45 P 4.4103 0.0000 0.0000 62.5768 31.7900 176.0755 46 L 3.9829 8.3175 119.9461 54.7367 42.0350 176.6945 47 G 4.4110 7.8880 108.4523 43.3341 0.0000 172.2298 48 K 4.6367 7.9555 119.6064 54.5247 34.2318 176.3632 49 S 4.4249 8.0897 115.9552 57.5602 65.3629 175.3772 50 G 4.0681 8.9959 117.5649 45.0326 0.0000 171.6291 51 F 5.0369 8.3485 112.3306 55.2786 41.1020 173.4292 52 K 4.3125 8.3876 119.1681 54.5073 35.0817 176.4427 53 R 4.5957 8.0870 121.4252 53.8418 31.8109 174.6843 54 P 4.3365 0.0000 0.0000 63.0705 31.9094 177.2172 55 Q 3.9586 8.9685 121.0778 59.0967 28.7310 178.5737 56 K 4.2175 8.0244 113.5761 57.8904 32.8577 177.2041 57 V 4.1918 7.7354 118.5916 62.7695 31.9703 174.8187 58 Q 4.5170 7.7440 118.4362 55.1688 29.8208 174.9980 59 E 4.6793 8.5080 121.5937 54.3788 31.2333 175.3968 60 E 4.4835 8.5139 122.0169 54.3290 32.2653 174.2086 61 A 4.0485 8.2953 128.7457 50.9554 20.2453 176.4371 62 A 4.4249 8.6945 124.4710 50.8612 19.9366 176.8728 63 T 5.3064 8.1258 111.7094 61.2185 71.2018 174.2988 64 I 4.3928 7.7448 120.4890 60.3510 41.6075 173.3488 65 D 5.6799 8.5771 128.3148 52.8769 42.2561 177.7853 66 V 3.6568 8.4605 115.7320 64.7099 31.5021 178.6426 67 R 3.9237 7.8808 117.8969 59.5567 29.5238 178.2110 68 E 3.8868 7.8603 118.0188 59.2475 29.9926 178.6192 69 I 3.8009 7.6095 119.2752 64.4883 37.4257 177.6685 70 D 4.2576 8.6125 119.1195 57.5266 40.8346 178.1281 71 E 4.2337 8.1455 117.3957 57.9516 29.8204 177.0862 72 N 5.0055 7.8060 117.4073 52.9059 39.6636 177.7520 73 V 3.1954 7.8579 112.9156 64.5968 31.8529 178.3446 74 T 4.0318 7.5324 108.0176 64.4315 68.9467 175.5821 75 L 4.0598 7.7701 121.2676 57.4360 42.3656 177.7914 76 L 4.3202 7.5449 119.7523 53.8338 40.3371 177.9540 77 A 4.0579 7.6277 120.9899 54.6473 19.1587 178.7647 78 A 4.3207 7.9715 116.2794 52.9859 18.5012 176.7260 79 D 4.9570 7.0785 116.0219 52.9196 44.3075 175.2792 80 D 4.2211 7.4322 120.6493 53.0074 41.0078 177.0390 81 V 4.6980 8.0456 124.9271 61.2424 30.9209 174.8535 82 A 4.2781 7.4942 124.4766 51.2527 20.0334 177.8311 83 E 3.7250 8.7440 114.6563 58.7109 29.7563 176.6924 *89 F 4.6794 7.8400 118.4187 57.6789 40.6535 173.5579 90 R 5.2635 8.9660 124.8123 54.4028 32.1969 175.3482 91 V 4.4601 8.8541 125.5630 60.0538 35.1360 174.2576 92 D 4.7157 8.7669 124.7418 52.6754 40.8778 176.4801 93 V 3.6259 8.4788 128.5642 66.1143 31.6536 178.4144 94 R 3.9257 8.0331 117.4877 58.8950 29.8282 177.6856 95 D 4.5924 8.0440 117.1738 55.5391 41.2027 178.6595 96 V 3.7633 7.5928 118.6930 64.5368 32.1630 176.5254 97 V 3.5998 7.3192 116.7372 63.1743 31.8338 175.2618 98 E 4.1460 8.5764 126.1251 56.9932 30.7741 176.0466 99 E 3.6213 8.5674 118.8188 57.9137 26.3116 174.6625 100 A 4.6139 7.7509 116.4313 52.1038 20.3608 177.1647 101 D 4.7023 7.9299 118.5455 56.6772 42.2080 177.9180 102 D 4.4539 8.0448 114.3844 53.7758 38.9043 175.5733 103 A 4.6896 7.2628 123.5979 50.6486 20.9020 178.2479 104 D 4.5435 9.0277 121.7691 56.7575 41.3666 175.7936 105 Y 4.6622 6.4262 116.5629 56.7871 41.8169 172.4518 106 V 4.7473 8.4409 119.9858 60.9977 33.8813 174.0750 107 K 4.6955 8.7384 129.0300 54.5489 35.4721 174.5692 108 V 4.6260 8.5552 127.6622 61.6773 33.0605 174.7714 109 L 4.7650 9.3554 128.8695 52.8165 44.0171 176.9817 110 G 4.4934 8.1895 108.7253 45.2695 0.0000 173.4057 111 A 4.6065 8.0383 120.8190 51.6498 21.6164 178.6088 112 G 4.0010 8.9212 108.6604 44.4376 0.0000 172.1210 113 Q 4.5142 8.1613 117.4541 54.3735 30.9760 176.0235 114 V 4.5736 7.6654 117.1459 61.2065 32.0716 173.7090 115 R 4.4483 8.6294 124.0316 56.2430 29.8705 175.8595 116 H 5.1143 7.8883 114.3205 54.4387 33.5923 172.4693 117 E 4.6822 8.9350 117.7471 55.2941 30.3995 175.2876 118 L 5.1177 8.5101 124.2941 53.1793 45.5890 176.0942 119 T 5.2121 8.6353 118.3847 61.1937 70.4864 172.7519 120 L 5.0274 8.2950 126.6226 53.5324 44.1951 175.8651 121 I 5.5473 8.8623 123.4423 59.0438 39.9346 174.5181 122 A 4.7783 8.6150 127.2379 50.7811 22.3002 176.2184 123 D 4.4948 8.3657 118.9254 56.8494 41.5722 176.6409 124 D 4.6490 7.2089 115.9537 53.2898 44.4920 174.0516 125 F 5.4266 8.6298 121.7083 55.8336 43.4405 174.4260 126 S 4.6042 8.6577 115.7731 57.4188 64.8684 174.8864 127 E 4.0704 8.9650 120.9392 59.5112 29.3264 179.1757 128 G 3.6632 8.1212 104.9950 47.3045 0.0000 175.5462 129 A 4.0895 7.9655 123.2511 55.1226 18.3087 179.8520 130 R 3.7385 8.0635 116.5492 59.3268 30.1536 178.6869 131 E 3.9369 8.0340 118.1060 59.8004 29.3254 179.9704 132 K 3.9645 7.9914 117.8884 59.3938 32.1493 179.6996 133 V 3.5434 7.6508 117.9395 66.1673 31.4585 177.9884 134 E 4.8375 7.9102 120.0879 58.8656 29.1392 179.2932 135 G 3.7827 8.4140 104.0283 46.2068 0.0000 173.7001 136 A 4.6435 7.0589 123.5317 51.7771 19.3264 176.5716 137 G 3.8063 8.4192 105.9121 48.1327 0.0000 174.4001 138 G 4.3417 7.8471 106.8432 44.0223 0.0000 172.9869 139 S 5.1260 8.7221 113.1922 56.2945 66.8499 173.2151 140 V 4.4971 8.1685 120.1692 61.0842 33.8593 174.2114 141 E 4.6643 9.4755 128.1086 54.4337 31.8484 174.8114 142 L 5.0254 8.5704 127.3307 54.5799 43.0295 176.6089 143 T 4.1280 8.6403 123.0036 63.5969 69.3892 175.2194 144 D 4.7242 8.7996 124.5516 56.9287 41.1614 178.7701 145 L 4.1823 7.9300 120.2490 58.1248 42.1241 178.8688 146 G 3.8297 7.3428 101.7639 46.2421 0.0000 173.4237 147 E 4.4030 7.9507 122.8955 56.0448 28.2962 177.2126 148 E 4.4370 7.5418 116.7616 56.8510 32.2544 178.1870 149 R 4.1997 7.9080 117.8385 54.9857 27.6396 176.2587 150 Q 4.3044 7.9463 121.7597 56.7759 29.3147 173.2323 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 T 8.16 4.25 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 1.20 0.00 0.00 2 S 8.34 4.43 0.00 4.09 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 3 K 9.11 4.06 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.52 7.81 4 K 8.07 3.85 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.72 3.97 0.00 1.76 2.01 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.56 4.30 0.00 1.96 1.93 0.00 3.21 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 7 Q 8.04 4.11 0.00 1.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.98 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 8 R 7.45 4.09 0.00 1.79 1.89 0.00 3.35 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 G 9.06 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.85 4.18 0.00 3.99 3.98 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 11 R 8.09 4.18 0.00 1.97 2.10 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.63 4.25 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 1.33 0.00 0.00 13 H 8.61 4.57 0.00 3.30 3.42 0.00 5.67 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 14 G 8.44 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.28 3.94 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 0.00 0.00 0.00 17 S 8.52 4.28 0.00 3.87 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 18 H 8.86 4.41 0.00 3.31 3.38 0.00 5.57 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 19 K 7.56 4.14 0.00 1.74 1.81 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.35 7.81 20 N 7.57 4.32 0.00 2.76 2.51 0.00 0.00 6.96 7.28 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 21 R 7.48 4.47 0.00 1.79 1.92 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 22 R 7.16 4.65 0.00 1.75 1.24 0.00 3.23 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 23 G 8.44 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 24 A 8.65 4.37 1.33 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 0.00 0.00 25 G 7.98 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 7.87 4.40 0.00 3.22 3.46 0.00 5.91 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 27 R 7.64 4.55 0.00 2.07 1.91 0.00 3.36 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 28 G 8.69 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 29 G 7.87 3.84 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 0.00 0.00 0.00 30 R 8.56 4.46 0.00 1.89 1.85 0.00 3.28 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 31 G 8.30 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 32 D 8.61 4.70 0.00 2.74 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 33 A 7.43 3.93 1.31 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 0.00 0.00 0.00 34 G 8.96 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.65 3.83 0.00 1.58 2.14 0.00 2.73 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 36 D 7.89 5.28 0.00 2.72 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 37 K 8.36 4.60 0.00 1.78 1.46 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.37 7.81 38 H 9.78 4.50 0.00 3.29 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.07 4.64 0.00 2.04 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 2.19 2.10 0.00 40 F 8.13 4.67 0.00 3.07 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 41 H 6.20 3.81 0.00 2.95 3.11 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.78 4.21 0.00 2.81 2.81 0.00 0.00 6.91 8.16 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 43 H 7.64 4.80 0.00 3.35 3.17 0.00 5.90 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 44 E 8.77 4.14 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 2.33 2.31 0.00 45 P 0.00 4.41 0.00 2.18 2.09 0.00 3.80 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 2.01 2.02 0.00 46 L 8.32 3.98 0.00 1.65 1.64 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.89 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 48 K 7.96 4.64 0.00 1.75 1.74 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.40 7.81 49 S 8.09 4.42 0.00 3.77 3.69 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 50 G 9.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.35 5.04 0.00 3.12 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 52 K 8.39 4.31 0.00 1.69 1.64 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.34 7.81 53 R 8.09 4.60 0.00 1.77 1.89 0.00 3.36 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 54 P 0.00 4.34 0.00 2.23 2.22 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 55 Q 8.97 3.96 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 56 K 8.02 4.22 0.00 1.87 1.93 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 57 V 7.74 4.19 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 0.84 0.00 0.00 0.95 0.00 0.00 58 Q 7.74 4.52 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 59 E 8.51 4.68 0.00 2.04 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 2.32 2.30 0.00 60 E 8.51 4.48 0.00 1.94 1.71 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 0.00 2.15 2.19 0.00 61 A 8.30 4.05 0.41 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 62 A 8.69 4.42 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 63 T 8.13 5.31 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 64 I 7.74 4.39 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.24 0.94 0.00 0.00 65 D 8.58 5.68 0.00 2.74 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 66 V 8.46 3.66 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 0.93 0.00 0.00 0.99 0.00 0.00 67 R 7.88 3.92 0.00 1.94 2.06 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 7.86 3.89 0.00 2.01 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 2.30 2.33 0.00 69 I 7.61 3.80 1.96 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 1.52 0.57 0.89 0.00 0.00 70 D 8.61 4.26 0.00 2.81 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 71 E 8.15 4.23 0.00 1.97 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 2.34 2.56 0.00 72 N 7.81 5.01 0.00 2.67 2.70 0.00 0.00 6.84 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 73 V 7.86 3.20 0.72 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 0.33 0.00 0.00 0.43 0.00 0.00 74 T 7.53 4.03 4.27 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 1.25 0.00 0.00 75 L 7.77 4.06 0.00 1.61 1.74 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.54 4.32 0.00 1.78 1.58 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.63 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.97 4.32 1.29 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 0.00 0.00 79 D 7.08 4.96 0.00 2.76 2.57 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 80 D 7.43 4.22 0.00 3.10 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 81 V 8.05 4.70 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 0.54 0.00 0.00 1.08 0.00 0.00 82 A 7.49 4.28 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.74 3.72 0.00 2.05 2.08 0.00 0.00 0.00 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 2.34 0.00 *89 F 7.84 4.68 0.00 3.26 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 90 R 8.97 5.26 0.00 1.84 1.84 0.00 3.23 0.00 0.00 3.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 91 V 8.85 4.46 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 0.69 0.00 0.00 0.94 0.00 0.00 92 D 8.77 4.72 0.00 2.80 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 93 V 8.48 3.63 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 0.99 0.00 0.00 94 R 8.03 3.93 0.00 2.00 2.00 0.00 3.26 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 95 D 8.04 4.59 0.00 2.77 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 96 V 7.59 3.76 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.92 0.00 0.00 97 V 7.32 3.60 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 0.81 0.00 0.00 0.97 0.00 0.00 98 E 8.58 4.15 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 99 E 8.57 3.62 0.00 2.08 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 2.19 2.26 0.00 100 A 7.75 4.61 1.30 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 0.00 0.00 101 D 7.93 4.70 0.00 2.69 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 0.00 102 D 8.04 4.45 0.00 2.76 2.76 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 0.00 103 A 7.26 4.69 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.03 4.54 0.00 2.90 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 0.00 105 Y 6.43 4.66 0.00 3.30 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 0.00 106 V 8.44 4.75 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 0.89 0.00 0.00 0.90 0.00 0.00 107 K 8.74 4.70 0.00 2.02 1.57 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.36 7.81 108 V 8.56 4.63 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.82 0.00 0.00 109 L 9.36 4.77 0.00 1.78 1.57 0.91 0.36 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 0.00 110 G 8.19 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.04 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.16 4.51 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 114 V 7.67 4.57 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 1.08 0.00 0.00 0.95 0.00 0.00 115 R 8.63 4.45 0.00 1.92 1.86 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 116 H 7.89 5.11 0.00 3.11 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.93 4.68 0.00 2.15 2.20 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 2.25 2.36 0.00 118 L 8.51 5.12 0.00 1.64 1.64 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.64 5.21 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 120 L 8.29 5.03 0.00 1.72 1.90 1.10 0.83 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 0.00 121 I 8.86 5.55 2.07 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 1.18 0.70 1.02 0.00 0.00 122 A 8.62 4.78 0.70 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 0.00 0.00 123 D 8.37 4.49 0.00 2.74 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 0.00 124 D 7.21 4.65 0.00 2.67 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 0.00 125 F 8.63 5.43 0.00 2.90 2.90 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 0.00 126 S 8.66 4.60 0.00 3.97 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 0.00 127 E 8.96 4.07 0.00 2.08 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 0.00 2.39 2.40 0.00 128 G 8.12 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 0.00 0.00 0.00 129 A 7.97 4.09 1.57 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 0.00 130 R 8.06 3.74 0.00 2.05 1.94 0.00 3.15 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 131 E 8.03 3.94 0.00 2.05 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 2.34 2.60 0.00 132 K 7.99 3.96 0.00 1.84 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.69 7.81 133 V 7.65 3.54 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 1.05 0.00 0.00 1.04 0.00 0.00 134 E 7.91 4.84 0.00 2.01 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 2.44 2.22 0.00 135 G 8.41 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 0.00 136 A 7.06 4.64 1.42 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 0.00 137 G 8.42 3.81 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 0.00 0.00 0.00 138 G 7.85 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 0.00 0.00 0.00 0.00 139 S 8.72 5.13 0.00 3.83 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 0.00 140 V 8.17 4.50 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.20 0.00 0.00 141 E 9.48 4.66 0.00 2.06 1.87 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 2.23 2.20 0.00 142 L 8.57 5.03 0.00 1.73 1.63 1.25 1.12 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 0.00 143 T 8.64 4.13 4.40 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 0.00 0.00 0.00 1.23 0.00 0.00 144 D 8.80 4.72 0.00 2.65 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 0.00 145 L 7.93 4.18 0.00 1.71 1.81 0.94 1.00 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 0.00 146 G 7.34 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 7.95 4.40 0.00 2.20 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 0.00 2.34 2.63 0.00 148 E 7.54 4.44 0.00 1.83 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 2.14 2.39 0.00 149 R 7.91 4.20 0.00 1.80 1.91 0.00 3.34 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 150 Q 7.95 4.30 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.