NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5272 8.1633 120.6193 55.4900 34.1678 173.6786 2 I 4.7654 8.3538 126.1822 59.4240 39.7414 173.1690 3 S 5.3759 10.0693 123.5444 56.7871 67.6110 172.5381 4 L 5.3477 8.6670 122.0216 53.0796 44.4631 175.3202 5 I 5.2186 8.7557 122.7228 59.3449 40.6922 174.2429 6 A 4.9549 9.0256 129.0937 50.7138 23.1710 174.4493 7 A 5.0892 8.7417 121.2893 50.1714 21.1655 175.8749 8 L 5.0012 8.9463 122.9363 53.2168 45.2303 176.8231 9 A 4.8054 8.9375 125.5599 50.3392 21.5866 176.6759 10 V 3.7266 8.1592 110.3295 63.6491 31.9403 177.0973 11 D 4.5866 9.1767 121.4136 54.8643 38.0406 174.4474 12 R 4.0422 8.1179 115.9831 57.0254 28.2692 175.9165 13 V 4.3157 7.4994 118.0576 62.9376 32.5151 175.0375 14 I 5.0989 8.2653 120.0754 58.5597 40.8679 175.2749 15 G 3.6884 8.7911 109.5763 47.0140 0.0000 172.3703 16 M 4.5981 8.6736 119.2232 56.4704 34.2607 175.5548 17 E 4.6412 7.8622 114.7066 57.6333 34.4589 175.0428 18 N 4.5355 7.8712 114.1173 52.1565 39.4652 174.9476 19 A 3.9720 8.1913 123.4234 52.4916 19.0423 177.7072 20 M 3.7600 7.8482 121.0163 54.3579 32.9501 175.9693 21 P 4.5203 0.0000 0.0000 60.6121 29.9606 174.8601 22 W 5.0121 6.8478 115.9984 56.2920 31.1810 174.7814 23 N 4.9607 9.4059 117.5424 52.1057 39.7517 172.6298 24 L 4.8604 8.0554 126.0445 50.8486 42.4968 175.4910 25 P 4.2762 0.0000 0.0000 65.6742 31.3645 178.4323 26 A 4.0601 8.2583 120.6038 54.9595 18.1183 179.0816 27 D 4.5321 7.7797 116.7539 57.4277 41.2725 178.4866 28 L 4.0846 7.8762 118.9753 57.5322 41.6119 179.1511 29 A 4.0534 8.2221 121.0183 54.8181 18.4060 179.4043 30 W 3.9889 8.2773 126.9753 60.4691 30.5575 177.9072 31 F 3.9245 8.6507 120.8830 61.1052 38.8759 176.9919 32 K 3.7324 8.5903 119.6063 59.5087 31.8222 178.5391 33 R 3.7253 7.9283 118.0104 59.4157 30.0245 177.5341 34 N 4.1505 7.3169 113.5774 54.0198 38.9288 175.6626 35 T 4.0503 6.8599 109.4004 61.0094 70.6328 174.2889 36 L 3.8487 7.2808 124.2992 56.7148 42.3321 176.2181 37 D 4.5893 8.9806 123.8837 54.8291 38.8009 173.5718 38 K 4.8168 7.5142 117.6643 53.6887 36.8088 173.8718 39 P 4.7159 0.0000 0.0000 62.7886 33.1460 175.3571 40 V 4.8360 8.6589 114.9677 59.6829 35.4229 174.4284 41 I 4.9095 8.6823 126.2612 59.7364 39.4440 174.6936 42 M 5.1371 8.7412 123.2980 53.6793 35.5409 174.8824 43 G 4.3503 8.6590 107.7997 45.2153 0.0000 174.8682 44 R 4.2331 8.6668 118.5745 59.8452 29.9626 178.0901 45 H 4.2925 8.1886 115.6157 58.9707 28.7857 177.6621 46 T 3.8771 7.9803 117.1770 66.3632 68.3538 176.0961 47 W 4.3452 8.1228 129.6754 60.7987 30.5074 177.8901 48 E 3.6694 7.9676 116.8607 59.4075 28.9276 179.2833 49 S 4.1929 7.8976 114.4472 61.2031 62.8746 176.6137 50 I 3.7602 7.3603 122.2295 63.7530 37.0960 177.7624 51 G 3.6188 9.0300 105.8784 44.8936 0.0000 172.6542 52 R 4.2270 6.4227 113.1307 54.5135 31.5947 172.5389 53 P 4.8070 0.0000 0.0000 62.4008 31.6728 176.5277 54 L 4.2737 9.1744 123.7260 53.5323 42.1377 175.2273 55 P 4.4411 0.0000 0.0000 63.8717 32.0234 176.6605 56 G 3.9234 8.9500 107.5806 45.9533 0.0000 172.8606 57 R 4.9427 7.2737 116.5894 53.8845 34.4592 174.9950 58 K 4.1891 8.2134 122.3853 55.8229 33.3637 175.3712 59 N 4.8817 8.6175 126.1324 52.3073 40.2460 174.1562 60 I 4.6216 8.4760 125.3661 59.4072 40.2746 174.6393 61 I 4.5161 8.2936 128.6226 59.3565 39.3119 174.4516 62 L 5.0489 8.6122 130.3452 54.1555 42.8974 175.0432 63 S 4.7880 8.9235 119.9255 57.7836 65.8107 175.5412 64 S 4.2663 8.8165 120.0171 60.5826 63.1809 174.7978 65 Q 4.2717 7.6276 121.4098 55.1963 29.9667 173.6127 *66 P 4.8677 0.0000 0.0000 60.0631 32.9089 171.7782 67 G 2.0000 7.7128 110.9350 46.0084 0.0000 174.4267 68 T 3.6933 6.3884 117.3396 62.9696 69.0167 172.2952 69 D 4.9802 8.1641 121.6116 52.9460 42.4266 176.3507 70 D 4.6882 8.7006 124.6402 54.9411 40.0920 177.2965 71 R 4.1961 9.1458 118.8243 57.5563 30.3294 176.0740 72 V 4.4053 7.1927 109.7949 59.5798 36.1639 174.7645 73 T 4.3428 8.3354 119.1087 62.2857 69.9168 174.0793 74 W 5.0970 8.7676 126.6824 55.3929 30.5996 176.1352 75 V 4.6795 9.3007 120.3152 60.3061 34.9431 177.2041 76 K 4.7082 9.1096 122.1838 54.0243 33.2735 177.6144 77 S 4.7643 7.4906 108.6192 56.3564 67.3457 174.9473 78 V 3.5342 8.3249 121.7181 66.4694 31.1006 177.6817 79 D 4.3832 8.0879 117.7308 57.7392 40.6920 178.6920 80 E 3.9968 8.1521 118.2549 59.2253 29.1689 179.3899 81 A 4.0015 7.9110 119.9566 55.2335 18.8663 179.2440 82 I 3.8647 8.1529 118.3870 64.7046 37.2993 178.4262 83 A 4.0082 8.0601 121.1281 55.2131 18.0269 179.4485 84 A 4.0733 8.0318 117.6630 54.8987 18.4360 179.1065 85 C 4.2154 7.9528 114.8061 62.1727 28.7279 175.1527 86 G 3.6740 8.1851 107.9783 44.7252 0.0000 172.5651 87 D 4.7274 8.4873 120.0921 52.5736 41.0366 176.6266 88 V 4.5964 7.7307 117.9833 58.4118 35.3334 174.6538 89 P 4.4018 0.0000 0.0000 65.3310 31.4703 176.9237 90 E 4.9537 7.7761 117.2222 54.8234 32.7997 174.3243 91 I 4.4550 8.7593 127.5109 59.8509 39.9820 174.2545 92 M 4.7969 8.6934 126.7150 53.7000 34.2795 175.0119 93 V 4.4675 9.0448 124.9067 61.1927 33.2358 175.7081 94 I 4.5881 8.7443 121.2368 60.7183 38.5845 174.8857 95 G 2.9091 8.0195 109.0371 44.5661 0.0000 172.8271 96 G 4.2859 8.2024 105.5012 43.7769 0.0000 173.5638 97 G 4.1161 8.8257 105.9872 48.6773 0.0000 175.5926 98 R 4.0040 8.0134 120.3889 58.6029 30.0314 179.3035 99 V 3.7209 7.6798 117.4558 66.3343 31.6686 177.5352 100 Y 4.4980 7.9303 116.4899 61.2169 37.4224 178.4719 101 E 4.0282 8.1322 118.7449 59.6063 29.6477 179.1509 102 Q 4.0616 8.0421 117.0056 58.3748 29.1605 177.9129 103 F 4.6038 8.2472 117.4292 58.2141 39.6184 177.6270 104 L 4.1487 8.1164 120.8231 58.1391 41.5630 177.1922 105 P 4.3768 0.0000 0.0000 65.2511 31.3815 177.8684 106 K 4.3175 7.9019 114.1250 56.0487 32.8338 177.0292 107 A 4.5886 7.5929 123.2082 52.2513 19.1804 176.9236 108 Q 4.6333 9.2023 122.1471 56.1633 31.6320 174.8884 109 K 5.4885 8.1911 118.7014 55.2568 36.3547 174.3844 110 L 5.1769 8.8898 124.8220 53.1146 45.4322 175.0123 111 Y 5.0925 9.3231 121.9887 56.5168 40.0589 174.6621 112 L 5.2042 9.3350 125.0329 53.0303 45.6185 176.1048 113 T 4.7582 8.5573 119.3993 62.2468 70.9918 172.8671 114 H 4.9779 9.2701 125.4193 54.6631 30.3205 174.5955 115 I 4.6267 8.3338 124.7747 59.0541 39.1534 176.7411 116 D 4.8413 8.3769 128.1304 53.2763 38.5160 175.5562 117 A 4.7537 7.5820 120.9090 50.1297 23.3149 175.9565 118 E 4.6829 9.0064 122.3029 54.9649 30.1444 175.8049 119 V 4.4488 8.1736 123.3831 60.7522 34.2620 174.5422 120 E 4.3569 8.7481 126.3421 55.7990 30.2681 176.0860 121 G 4.1758 8.1305 110.3844 44.9616 0.0000 172.6987 122 D 4.5654 8.6156 119.8861 56.7994 41.8035 177.8471 123 T 4.3682 7.6437 115.5194 63.6943 69.6833 173.7625 124 H 5.4795 8.6723 121.3645 53.6165 32.8717 173.0636 125 F 4.4666 9.2606 124.1842 57.4507 39.8104 173.4829 126 P 4.2610 0.0000 0.0000 62.7119 31.7620 175.5255 127 D 4.5383 8.6245 121.2565 54.2130 41.7270 175.0483 128 Y 4.8745 8.0997 123.9612 55.1853 40.5297 175.2634 129 E 4.3428 8.9539 123.7709 54.4633 28.6630 175.1861 130 P 4.6302 0.0000 0.0000 65.0700 31.6319 177.5555 131 D 4.9110 8.0959 115.9362 53.2494 40.2843 181.3672 132 D 5.0776 8.8074 118.2224 54.7068 42.7539 175.4977 133 W 5.5927 8.0499 117.8694 55.3264 33.5301 173.5639 134 E 4.6143 9.6177 126.2325 54.6115 30.9156 174.6662 135 S 4.7582 8.8657 122.7268 58.4696 62.3892 173.4893 136 V 4.3114 8.6355 127.2919 63.8311 32.9424 175.5085 137 F 4.9786 8.0138 120.9512 57.3071 42.8748 172.9301 138 S 4.8222 7.4503 118.5642 57.2389 65.5451 173.1940 139 E 4.3230 8.9515 128.5314 54.8479 32.6728 173.5968 140 F 4.6171 8.6472 129.6450 57.7136 41.0051 174.3901 141 H 4.3375 6.9401 121.2505 53.7590 32.5411 172.9609 142 D 4.7073 8.2954 121.7966 53.3039 41.9974 176.0582 143 A 4.5029 8.3329 122.1397 52.7342 19.1723 176.8287 144 D 4.5013 8.6278 116.9350 52.5342 41.9870 175.6900 145 A 3.7992 8.7225 120.6850 55.0800 18.4336 178.5540 146 Q 4.4146 7.7438 112.8852 55.9842 30.4706 175.3904 147 N 5.1555 8.3742 116.4537 51.0041 40.1584 175.7958 148 S 4.2141 8.9486 119.5357 61.0147 63.3089 173.6904 149 H 5.0355 7.6731 115.5801 53.7868 33.1547 173.3680 150 S 4.4312 8.6012 115.7398 58.9995 64.1173 173.0484 151 Y 5.0993 7.2866 119.6394 55.8039 41.9355 173.2759 152 C 4.7403 8.8553 120.8100 57.6809 34.9549 172.8233 153 F 4.9131 8.3270 125.5042 56.9584 40.2304 174.5048 154 E 5.2985 9.4510 123.1790 54.8085 33.7044 173.7251 155 I 5.1148 8.9142 126.4095 59.5363 40.6255 174.4932 156 L 5.4502 8.9071 125.9262 53.0109 45.7500 175.2218 157 E 5.2737 9.1437 121.9012 54.4022 32.6630 175.3340 158 R 3.5567 8.6619 125.2020 55.9215 30.5507 176.4729 159 R 4.2275 7.8802 122.7215 56.2318 29.3160 176.1711 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 4.53 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.66 0.00 2 I 8.35 4.77 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 1.08 0.00 0.00 3 S 10.07 5.38 0.00 3.83 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 4 L 8.67 5.35 0.00 1.78 1.69 1.13 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.76 5.22 1.74 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.26 0.95 0.00 0.00 6 A 9.03 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.74 5.09 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 8 L 8.95 5.00 0.00 1.51 1.58 0.77 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.94 4.81 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.16 3.73 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 0.96 0.00 0.00 1.02 0.00 0.00 11 D 9.18 4.59 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.12 4.04 0.00 2.28 2.27 0.00 3.37 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 13 V 7.50 4.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 14 I 8.27 5.10 2.12 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 1.28 0.00 0.00 15 G 8.79 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 0.00 0.00 0.00 16 M 8.67 4.60 0.00 1.91 2.02 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 2.42 2.42 0.00 17 E 7.86 4.64 0.00 1.83 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 18 N 7.87 4.54 0.00 2.69 2.66 0.00 0.00 6.84 7.35 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 19 A 8.19 3.97 1.12 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 0.00 0.00 20 M 7.85 3.76 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 21 P 0.00 4.52 0.00 2.16 2.01 0.00 3.30 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 22 W 6.85 5.01 0.00 3.29 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 23 N 9.41 4.96 0.00 2.81 2.76 0.00 0.00 7.32 7.41 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 24 L 8.06 4.86 0.00 1.48 1.09 0.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.28 0.00 2.26 2.32 0.00 3.95 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 26 A 8.26 4.06 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 27 D 7.78 4.53 0.00 2.59 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 28 L 7.88 4.08 0.00 1.91 1.75 0.92 0.87 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 29 A 8.22 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.28 3.99 0.00 2.87 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 31 F 8.65 3.92 0.00 3.35 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 32 K 8.59 3.73 0.00 1.97 1.93 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.42 7.81 33 R 7.93 3.73 0.00 1.69 1.94 0.00 3.07 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 34 N 7.32 4.15 0.00 1.98 1.85 0.00 0.00 6.90 7.46 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 35 T 6.86 4.05 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 0.42 0.00 0.00 36 L 7.28 3.85 0.00 1.69 1.50 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.98 4.59 0.00 2.78 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 38 K 7.51 4.82 0.00 1.63 1.52 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.39 7.81 39 P 0.00 4.72 0.00 2.12 2.11 0.00 3.44 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 40 V 8.66 4.84 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 0.57 0.00 0.00 0.97 0.00 0.00 41 I 8.68 4.91 1.51 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.47 0.82 0.00 0.00 42 M 8.74 5.14 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 43 G 8.66 4.35 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 0.00 0.00 0.00 44 R 8.67 4.23 0.00 2.07 1.96 0.00 3.47 0.00 0.00 3.72 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 45 H 8.19 4.29 0.00 3.32 3.42 0.00 5.88 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.98 3.88 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 1.24 0.00 0.00 47 W 8.12 4.35 0.00 3.31 3.31 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 48 E 7.97 3.67 0.00 2.11 1.94 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 2.72 2.54 0.00 49 S 7.90 4.19 0.00 3.94 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 I 7.36 3.76 1.73 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 1.37 0.65 0.89 0.00 0.00 51 G 9.03 3.62 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 0.00 0.00 0.00 52 R 6.42 4.23 0.00 1.85 1.78 0.00 3.03 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 53 P 0.00 4.81 0.00 2.15 2.14 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 54 L 9.17 4.27 0.00 1.76 1.66 1.16 1.09 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 55 P 0.00 4.44 0.00 2.15 2.06 0.00 3.62 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 2.00 2.09 0.00 56 G 8.95 3.92 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 0.00 0.00 0.00 57 R 7.27 4.94 0.00 1.71 1.75 0.00 3.06 0.00 0.00 2.95 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.45 0.00 58 K 8.21 4.19 0.00 1.84 1.64 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.35 7.81 59 N 8.62 4.88 0.00 2.54 2.57 0.00 0.00 6.89 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 60 I 8.48 4.62 1.86 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 1.14 0.59 0.84 0.00 0.00 61 I 8.29 4.52 0.72 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.63 0.00 0.00 62 L 8.61 5.05 0.00 1.77 1.61 1.12 0.71 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 63 S 8.92 4.79 0.00 4.06 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.82 4.27 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.63 4.27 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 *66 P 0.00 4.87 0.00 2.07 1.80 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.55 0.00 67 G 7.71 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 6.39 3.69 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 69 D 8.16 4.98 0.00 3.02 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 70 D 8.70 4.69 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 79 D 8.09 4.38 0.00 2.72 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 80 E 8.15 4.00 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 81 A 7.91 4.00 1.53 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 82 I 8.15 3.86 2.06 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 1.63 1.05 0.97 0.00 0.00 83 A 8.06 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.07 1.34 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 85 C 7.95 4.22 0.00 3.23 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.19 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 0.00 0.00 0.00 87 D 8.49 4.73 0.00 2.62 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 88 V 7.73 4.60 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 0.83 0.00 0.00 0.95 0.00 0.00 89 P 0.00 4.40 0.00 2.02 2.10 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 90 E 7.78 4.95 0.00 1.92 1.72 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 2.17 2.38 0.00 91 I 8.76 4.46 1.86 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 1.20 0.65 0.82 0.00 0.00 92 M 8.69 4.80 0.00 1.72 1.89 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 93 V 9.04 4.47 2.16 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 0.80 0.00 0.00 0.24 0.00 0.00 94 I 8.74 4.59 2.20 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 1.01 0.00 0.00 95 G 8.02 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.35 1.14 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.56 4.76 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 1.00 0.00 0.00 114 H 9.27 4.98 0.00 2.98 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.33 4.63 1.43 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.18 0.41 0.00 0.00 116 D 8.38 4.84 0.00 2.63 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 0.00 117 A 7.58 4.75 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 0.00 118 E 9.01 4.68 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 2.30 2.33 0.00 119 V 8.17 4.45 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 0.80 0.00 0.00 1.03 0.00 0.00 120 E 8.75 4.36 0.00 2.00 1.88 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 2.31 2.31 0.00 121 G 8.13 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 0.00 0.00 0.00 0.00 122 D 8.62 4.57 0.00 2.69 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 0.00 123 T 7.64 4.37 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 1.29 0.00 0.00 124 H 8.67 5.48 0.00 3.08 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.26 4.47 0.00 3.02 3.08 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 0.00 0.00 0.00 126 P 0.00 4.26 0.00 1.94 1.92 0.00 2.20 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.78 0.00 127 D 8.62 4.54 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.10 4.87 0.00 3.06 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 0.00 129 E 8.95 4.34 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.89 0.00 130 P 0.00 4.63 0.00 2.12 2.34 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 131 D 8.10 4.91 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 132 D 8.81 5.08 0.00 2.99 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 0.00 133 W 8.05 5.59 0.00 3.25 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 0.00 134 E 9.62 4.61 0.00 2.06 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 2.29 2.29 0.00 135 S 8.87 4.76 0.00 4.01 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 0.00 136 V 8.64 4.31 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 0.86 0.00 0.00 1.05 0.00 0.00 137 F 8.01 4.98 0.00 3.21 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 0.00 138 S 7.45 4.82 0.00 3.81 3.54 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 0.00 0.00 0.00 0.00 139 E 8.95 4.32 0.00 1.51 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 140 F 8.65 4.62 0.00 2.91 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 0.00 141 H 6.94 4.34 0.00 1.40 2.30 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.30 4.71 0.00 2.51 2.56 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 0.00 143 A 8.33 4.50 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 0.00 144 D 8.63 4.50 0.00 2.90 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 0.00 145 A 8.72 3.80 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 0.00 146 Q 7.74 4.41 0.00 1.86 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 147 N 8.37 5.16 0.00 2.92 2.70 0.00 0.00 6.59 7.19 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 0.00 148 S 8.95 4.21 0.00 3.97 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 0.00 149 H 7.67 5.04 0.00 2.90 3.18 0.00 5.89 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 0.00 150 S 8.60 4.43 0.00 3.98 3.62 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 0.00 151 Y 7.29 5.10 0.00 2.54 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 0.00 152 C 8.86 4.74 0.00 2.95 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 0.00 153 F 8.33 4.91 0.00 2.81 1.80 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 0.00 154 E 9.45 5.30 0.00 2.06 1.80 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 2.27 2.55 0.00 155 I 8.91 5.11 1.98 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 1.12 1.26 0.66 0.00 0.00 156 L 8.91 5.45 0.00 1.46 1.71 0.69 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 157 E 9.14 5.27 0.00 1.97 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 2.26 2.26 0.00 158 R 8.66 3.56 0.00 0.67 1.48 0.00 3.09 0.00 0.00 3.01 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.00 159 R 7.88 4.23 0.00 2.10 1.86 0.00 3.26 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 * Residues marked with a * may have inaccurate shift predictions.