NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 3.7465 8.1849 122.4466 53.8470 43.2514 176.4051 3 W 4.7316 7.8723 123.7946 56.9424 29.4183 174.8726 4 K 4.6163 10.0479 122.3086 56.1542 33.7975 176.2092 5 K 4.7833 7.9560 117.6370 54.4753 35.5676 175.7238 6 T 4.2019 8.2982 111.9072 61.1352 70.0178 173.6509 7 F 4.7335 7.0085 116.8863 55.3517 40.6323 173.5607 8 T 4.6595 7.9765 110.1176 59.0880 72.9147 174.7619 9 L 3.9960 8.5591 122.5174 57.8612 41.6786 179.5343 10 E 3.8920 8.0860 118.9311 59.3781 29.7162 178.2934 11 N 4.3361 8.2647 117.0808 56.5269 39.0895 176.9110 12 L 3.9076 8.0465 120.6123 57.8212 41.4636 179.2278 13 N 4.3703 7.9554 115.5652 56.1412 38.6757 177.0141 14 Q 4.0681 8.0094 121.2899 58.9277 28.8927 177.9218 15 L 3.9917 7.8123 120.8288 57.7116 42.2031 177.7368 16 C 4.4366 7.5153 113.8788 58.7548 28.6950 174.1042 17 S 4.1532 7.0514 115.7303 58.9909 63.7070 173.3178 18 N 4.0946 8.6385 118.2757 54.0272 36.8910 171.8677 19 S 4.5102 7.1876 111.6111 56.2155 66.5734 174.8643 20 A 3.9715 8.6312 120.8842 55.2856 17.7585 179.8365 21 V 3.4564 7.5510 116.7234 66.4250 31.6993 178.3127 22 S 4.1018 7.9894 112.3147 61.5723 62.0766 175.3243 23 H 4.2266 8.3216 120.3992 58.7123 29.6215 176.2203 24 L 4.4370 7.6985 118.3015 53.8886 41.6198 177.1371 25 G 3.8955 7.8107 106.5947 46.1224 0.0000 173.9750 26 I 4.2567 7.5595 120.4500 60.8796 37.9068 175.3076 27 E 4.7481 9.0238 126.8555 54.2113 32.9092 174.4720 28 I 4.1698 9.1152 129.0523 61.7680 36.8219 175.7662 29 S 4.7087 8.6065 122.5378 59.6887 64.7812 173.8273 30 A 4.7743 7.9356 119.8633 51.6795 22.2980 174.7745 31 F 4.4604 8.1435 112.7164 56.0724 40.5902 174.3362 32 G 3.4124 6.9681 109.4544 43.8928 0.0000 172.4096 33 E 4.3396 8.7501 117.7721 58.6607 29.7598 177.0830 34 D 4.5421 7.7604 116.9849 51.8208 40.4042 174.5221 35 W 5.7641 7.8804 114.2911 57.8164 31.4450 172.5834 36 I 5.2618 8.8894 119.7556 60.0031 41.2610 173.1888 37 E 5.9800 10.3256 126.6966 53.8880 33.9249 174.6096 38 A 5.2182 8.4195 121.4471 51.0788 23.1897 175.7506 39 T 5.3705 8.8478 111.9440 58.6053 72.2205 171.3392 *41 P 4.3269 0.0000 0.0000 63.3371 32.6547 176.8957 42 V 4.2723 8.4525 122.2216 61.5808 31.4878 174.0445 43 D 4.6554 8.5185 126.4063 52.2936 42.4431 175.4884 44 H 4.0552 9.0996 114.3685 58.9740 28.7845 176.8195 45 R 4.1495 8.5349 118.3114 57.8550 30.6871 176.7517 46 T 4.4411 7.7590 108.4852 60.6608 69.0648 172.7884 *48 Q 4.3220 7.6330 121.8122 55.7492 30.2857 173.4445 49 P 4.3704 0.0000 0.0000 65.0196 31.2049 176.9473 50 F 4.6938 8.1102 112.5998 56.6704 37.9975 176.1474 51 G 3.9124 8.1483 108.3652 45.3234 0.0000 173.7950 52 V 4.5407 6.3402 110.5939 58.3489 35.4401 175.2080 53 L 3.8339 8.5264 125.2186 56.1792 42.6836 176.2377 54 H 4.1661 9.3227 127.0686 55.7462 30.4372 176.1761 55 G 3.5706 8.8988 113.6080 47.8310 0.0000 175.3103 56 G 3.7308 8.1114 107.4473 47.7746 0.0000 175.8987 57 V 3.6835 7.9171 120.1171 65.6402 31.5745 178.1586 58 S 4.1625 8.0528 115.3217 61.5519 62.5609 176.7862 59 V 3.6393 7.8169 120.4498 65.7435 31.2103 177.9579 60 A 3.9736 7.8680 120.4855 54.9251 18.2035 179.3864 61 L 3.8642 7.9843 118.6881 58.1369 42.2068 179.0144 62 A 4.0007 8.0583 120.7852 55.2934 18.3179 179.2937 63 E 3.9112 8.5156 118.0805 59.4866 29.6623 179.0724 64 T 3.7733 7.8582 115.9511 66.7529 68.5629 176.4897 65 I 3.7234 7.9307 120.5397 63.8906 37.9716 178.2542 66 G 3.3244 8.1271 106.7335 47.7896 0.0000 175.9921 67 S 3.9545 8.0749 117.8016 60.8848 62.5566 176.5353 68 L 3.6976 7.5427 121.9798 57.9023 42.1538 178.4187 69 A 3.9467 7.6135 120.8224 55.1339 18.1686 179.6712 70 G 3.7823 7.1144 104.2433 48.1609 0.0000 175.9604 71 S 4.2493 7.7993 115.2633 60.6278 63.2462 175.7312 72 L 4.3081 7.7719 121.2469 55.6610 41.2979 177.4054 73 C 4.9081 7.8537 116.0123 59.3075 28.4020 173.1477 74 L 4.9134 7.6360 118.9371 52.8393 44.5095 176.7864 75 E 4.4693 8.2778 119.5763 55.7626 31.6011 176.4412 76 E 4.1250 8.6215 119.0552 58.2009 30.2123 176.4779 77 G 3.9251 8.6672 109.0138 46.3391 0.0000 172.9298 78 K 4.7835 7.8516 118.6103 54.8706 35.7290 174.6634 79 T 4.6875 8.4820 119.8002 61.4321 71.5719 172.1244 80 V 5.0451 8.2614 116.0832 59.4415 35.1474 175.6578 81 V 4.3989 8.5080 122.2242 60.7175 34.7204 175.0426 82 G 3.8929 8.9130 115.3568 46.9301 0.0000 172.1180 83 L 4.7668 8.8510 127.2500 56.3270 43.6001 175.7347 84 D 4.7492 7.7801 115.5466 52.9804 42.5385 173.5425 85 I 5.1006 8.0208 117.9971 60.1398 41.0892 172.9541 86 N 5.2635 9.0157 123.3050 51.7946 41.1005 172.8006 87 A 5.0206 8.2444 119.1762 51.2024 22.5081 175.2354 88 N 4.9022 9.1344 117.3330 51.7034 42.0466 173.4802 89 H 4.8410 8.6965 120.7453 54.9867 29.1702 174.8897 90 L 4.5192 8.9576 125.1074 56.6649 42.5391 177.6387 91 R 4.6311 7.5736 111.7956 54.0751 31.8683 172.7770 92 P 4.4417 0.0000 0.0000 62.6111 32.3795 175.7550 93 V 4.3852 8.1387 119.1203 61.3523 33.8597 176.0373 94 R 4.4738 8.4794 124.7200 56.6064 31.7073 175.3191 95 S 4.3980 7.8860 110.1799 58.1381 66.0323 174.7066 96 G 3.8564 8.5345 107.4643 45.0222 0.0000 172.4622 97 K 4.8443 8.3762 117.9861 55.0744 35.9895 175.6620 98 V 4.5934 8.0200 112.7701 60.2441 34.8073 174.7247 99 T 5.0866 8.8785 119.2397 61.8111 71.8246 172.7729 100 A 5.0935 9.2157 128.9707 50.2517 21.4937 175.1508 101 R 5.2101 9.1949 123.8424 54.5917 32.6317 174.3914 102 A 5.6425 9.2623 128.8230 50.6945 21.4186 175.6667 103 T 5.2653 9.2146 112.2294 59.1371 72.4600 171.7644 104 P 3.3697 0.0000 0.0000 62.9422 31.7205 175.4501 105 I 4.1686 7.8922 122.7407 62.6867 39.0779 176.0175 106 N 4.5873 7.4624 119.6727 52.4742 42.3349 172.8447 107 L 4.7286 8.6135 126.9686 53.3044 42.7933 176.2448 108 G 4.0095 8.6156 113.9538 43.3788 0.0000 172.3382 109 R 4.0528 8.5432 118.7375 58.5329 30.2684 176.7417 110 N 4.9837 8.1671 113.0546 52.9336 41.1889 173.9031 111 I 5.2325 7.5326 117.8812 59.4721 41.5993 174.3567 112 Q 5.0841 9.2451 124.5132 54.0718 32.5942 174.5876 113 V 4.9630 8.8205 122.7005 60.9868 34.4432 174.2781 114 W 4.9962 9.5182 127.5919 54.8896 32.9360 174.0886 115 Q 5.1290 9.2324 124.3754 54.6141 31.1618 174.3150 116 I 5.1574 9.0182 126.4140 59.7761 40.9170 173.8578 117 D 5.1820 9.0540 127.3085 52.5298 43.4147 175.2836 118 I 4.9929 8.7861 124.7288 59.6402 39.7051 175.0644 119 R 5.2473 8.9772 125.6662 54.3930 34.3140 175.7643 120 T 4.5307 8.7295 112.6967 60.4736 70.0579 175.4740 121 E 3.9764 8.6044 118.7578 58.5939 29.5614 177.3234 122 E 4.4199 8.0790 117.9304 55.7231 29.5852 175.2812 123 N 4.2305 8.1037 114.7087 54.2275 36.7916 173.9966 124 K 4.5383 7.5437 116.5565 54.3178 33.9146 176.2114 125 L 4.5473 8.4813 123.7942 55.1381 42.0964 176.4334 126 C 4.7831 8.9409 118.2365 58.7065 32.3261 173.2147 127 C 5.2287 7.7126 118.4155 58.3572 34.7913 172.8521 128 V 4.9981 8.6261 118.0438 59.8546 35.3976 174.5628 129 S 5.0710 9.1613 117.8016 56.8999 66.6842 172.3917 130 R 5.1354 8.9611 124.4181 54.4116 33.1361 173.6581 131 L 5.2726 9.2261 128.1899 53.5908 45.2390 174.8028 132 T 5.1469 8.9533 122.6079 61.8582 71.0386 173.2506 133 L 5.2748 9.2511 126.3318 53.0885 45.5774 175.6353 134 S 5.0933 9.0454 118.5743 57.2355 65.2339 173.1882 135 V 4.8393 8.5860 124.3492 61.4352 32.6248 174.8405 136 I 4.7412 8.4158 126.9204 59.1883 42.1579 173.6444 137 N 5.0162 8.9958 124.9268 52.0947 39.0126 175.1161 138 L 4.2576 8.4642 123.6727 55.9373 40.5313 176.9147 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 2 L 8.18 3.75 0.00 1.47 1.55 0.96 0.61 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 3 W 7.87 4.73 0.00 3.58 3.30 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 4 K 10.05 4.62 0.00 1.95 2.15 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.70 7.81 5 K 7.96 4.78 0.00 1.80 1.74 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.62 7.81 6 T 8.30 4.20 4.12 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 1.17 0.00 0.00 7 F 7.01 4.73 0.00 2.86 2.84 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 8 T 7.98 4.66 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 9 L 8.56 4.00 0.00 1.78 1.81 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.09 3.89 0.00 2.04 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 2.37 2.36 0.00 11 N 8.26 4.34 0.00 2.87 2.88 0.00 0.00 7.29 6.02 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 12 L 8.05 3.91 0.00 1.63 1.53 0.39 0.28 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 13 N 7.96 4.37 0.00 2.90 2.86 0.00 0.00 7.01 7.85 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 14 Q 8.01 4.07 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 15 L 7.81 3.99 0.00 1.72 1.85 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.52 4.44 0.00 2.98 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 17 S 7.05 4.15 0.00 3.95 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 18 N 8.64 4.09 0.00 2.80 2.84 0.00 0.00 6.82 7.63 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 19 S 7.19 4.51 0.00 3.97 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 20 A 8.63 3.97 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 21 V 7.55 3.46 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 0.96 0.00 0.00 0.90 0.00 0.00 22 S 7.99 4.10 0.00 4.08 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 23 H 8.32 4.23 0.00 3.24 3.50 0.00 5.99 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.70 4.44 0.00 1.67 1.65 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.81 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.56 4.26 2.01 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 1.10 0.56 0.90 0.00 0.00 27 E 9.02 4.75 0.00 2.00 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 2.20 2.26 0.00 28 I 9.12 4.17 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.82 0.86 0.00 0.00 29 S 8.61 4.71 0.00 3.96 4.03 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 0.00 0.00 0.00 30 A 7.94 4.77 1.46 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 0.00 0.00 31 F 8.14 4.46 0.00 3.02 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 32 G 6.97 3.41 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 33 E 8.75 4.34 0.00 1.99 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 2.36 2.32 0.00 34 D 7.76 4.54 0.00 2.66 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 35 W 7.88 5.76 0.00 3.69 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 36 I 8.89 5.26 1.87 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.78 0.97 0.00 0.00 37 E 10.33 5.98 0.00 2.15 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 2.37 2.68 0.00 38 A 8.42 5.22 1.19 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 0.00 0.00 39 T 8.85 5.37 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 *41 P 0.00 4.33 0.00 2.25 2.12 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 42 V 8.45 4.27 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 0.75 0.00 0.00 0.94 0.00 0.00 43 D 8.52 4.66 0.00 2.80 2.71 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 0.00 0.00 0.00 44 H 9.10 4.06 0.00 3.16 3.42 0.00 5.69 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 45 R 8.53 4.15 0.00 1.86 1.92 0.00 3.03 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 46 T 7.76 4.44 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 1.23 0.00 0.00 *48 Q 7.63 4.32 0.00 1.89 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 49 P 0.00 4.37 0.00 2.32 2.25 0.00 3.92 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 50 F 8.11 4.69 0.00 3.20 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 51 G 8.15 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 0.00 0.00 0.00 52 V 6.34 4.54 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 0.64 0.00 0.00 0.40 0.00 0.00 53 L 8.53 3.83 0.00 1.54 1.55 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.32 4.17 0.00 3.24 3.17 0.00 5.65 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 55 G 8.90 3.57 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 56 G 8.11 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 57 V 7.92 3.68 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 1.04 0.00 0.00 0.81 0.00 0.00 58 S 8.05 4.16 0.00 4.17 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 59 V 7.82 3.64 2.28 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 1.12 0.00 0.00 1.06 0.00 0.00 60 A 7.87 3.97 1.35 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 61 L 7.98 3.86 0.00 1.79 1.89 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.06 4.00 1.40 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 0.00 0.00 0.00 63 E 8.52 3.91 0.00 2.04 1.95 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 2.28 2.34 0.00 64 T 7.86 3.77 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 1.16 0.00 0.00 65 I 7.93 3.72 1.85 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 1.66 1.21 1.00 0.00 0.00 66 G 8.13 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 0.00 0.00 0.00 67 S 8.07 3.95 0.00 3.79 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 68 L 7.54 3.70 0.00 1.54 1.63 0.69 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.61 3.95 0.44 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 70 G 7.11 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 71 S 7.80 4.25 0.00 4.00 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 72 L 7.77 4.31 0.00 1.78 1.53 -0.65 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.85 4.91 0.00 3.43 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.64 4.91 0.00 1.64 1.59 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.28 4.47 0.00 1.98 1.95 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 2.34 2.30 0.00 76 E 8.62 4.12 0.00 1.97 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 2.26 0.00 77 G 8.67 3.93 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 0.00 0.00 0.00 78 K 7.85 4.78 0.00 1.81 1.65 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.50 7.81 79 T 8.48 4.69 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 1.27 0.00 0.00 80 V 8.26 5.05 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 0.82 0.00 0.00 0.95 0.00 0.00 81 V 8.51 4.40 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 1.04 0.00 0.00 0.93 0.00 0.00 82 G 8.91 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 0.00 0.00 0.00 83 L 8.85 4.77 0.00 1.64 1.82 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.78 4.75 0.00 2.81 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 85 I 8.02 5.10 1.90 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 1.42 0.87 0.93 0.00 0.00 86 N 9.02 5.26 0.00 2.84 2.84 0.00 0.00 6.82 7.75 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 87 A 8.24 5.02 1.19 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 0.00 0.00 88 N 9.13 4.90 0.00 2.64 2.67 0.00 0.00 7.20 7.70 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 89 H 8.70 4.84 0.00 3.05 3.26 0.00 5.71 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 90 L 8.96 4.52 0.00 1.63 1.72 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.57 4.63 0.00 1.88 1.86 0.00 3.04 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 92 P 0.00 4.44 0.00 2.21 2.13 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 93 V 8.14 4.39 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 1.05 0.00 0.00 0.97 0.00 0.00 94 R 8.48 4.47 0.00 1.80 1.91 0.00 3.44 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 95 S 7.89 4.40 0.00 3.91 3.80 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 96 G 8.53 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 0.00 0.00 0.00 97 K 8.38 4.84 0.00 1.82 1.74 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.42 7.81 98 V 8.02 4.59 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 0.92 0.00 0.00 0.93 0.00 0.00 99 T 8.88 5.09 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 1.25 0.00 0.00 100 A 9.22 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 9.19 5.21 0.00 1.97 1.77 0.00 2.84 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 102 A 9.26 5.64 1.35 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 0.00 103 T 9.21 5.27 4.33 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 1.40 0.00 0.00 104 P 0.00 3.37 0.00 1.45 0.68 0.00 3.78 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 1.71 1.67 0.00 105 I 7.89 4.17 1.92 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 1.06 0.56 0.85 0.00 0.00 106 N 7.46 4.59 0.00 2.64 2.53 0.00 0.00 6.99 6.66 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 0.00 107 L 8.61 4.73 0.00 1.46 1.59 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.62 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 0.00 109 R 8.54 4.05 0.00 1.79 1.98 0.00 3.19 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 110 N 8.17 4.98 0.00 2.76 2.81 0.00 0.00 6.90 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 0.00 111 I 7.53 5.23 1.88 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 1.36 1.09 0.99 0.00 0.00 112 Q 9.25 5.08 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 113 V 8.82 4.96 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 1.13 0.00 0.00 0.93 0.00 0.00 114 W 9.52 5.00 0.00 3.31 3.16 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 0.00 115 Q 9.23 5.13 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 116 I 9.02 5.16 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.58 1.00 0.00 0.00 117 D 9.05 5.18 0.00 2.59 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 0.00 118 I 8.79 4.99 1.89 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 1.25 0.81 0.96 0.00 0.00 119 R 8.98 5.25 0.00 1.68 1.76 0.00 3.07 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 120 T 8.73 4.53 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 121 E 8.60 3.98 0.00 2.09 2.12 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 2.27 2.33 0.00 122 E 8.08 4.42 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 2.24 2.25 0.00 123 N 8.10 4.23 0.00 2.82 2.88 0.00 0.00 6.79 8.47 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 0.00 124 K 7.54 4.54 0.00 1.82 1.70 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.48 7.81 125 L 8.48 4.55 0.00 1.63 1.62 0.92 0.94 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 0.00 126 C 8.94 4.78 0.00 3.14 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 0.00 127 C 7.71 5.23 0.00 3.04 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 0.00 128 V 8.63 5.00 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 0.71 0.00 0.00 0.93 0.00 0.00 129 S 9.16 5.07 0.00 3.85 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 0.00 130 R 8.96 5.14 0.00 1.93 1.84 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 131 L 9.23 5.27 0.00 1.82 1.60 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.95 5.15 4.48 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 1.25 0.00 0.00 133 L 9.25 5.27 0.00 1.65 1.59 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 134 S 9.05 5.09 0.00 3.77 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 0.00 135 V 8.59 4.84 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 0.76 0.00 0.00 0.99 0.00 0.00 136 I 8.42 4.74 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 1.23 1.19 0.92 0.00 0.00 137 N 9.00 5.02 0.00 2.66 2.77 0.00 0.00 7.32 7.85 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 0.00 138 L 8.46 4.26 0.00 1.63 1.65 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.