NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2587 8.2644 123.5828 52.2702 19.9777 175.8609 2 C 4.5477 8.4018 118.1769 53.8216 45.8120 170.9653 3 P 4.4350 0.0000 0.0000 63.0047 32.4317 177.0509 4 S 4.1777 8.7016 117.6361 61.5876 62.9419 175.7797 5 Q 4.1555 7.9607 117.5882 57.5909 28.9966 175.5296 6 C 4.8046 7.6825 115.0049 58.7854 30.2156 173.1312 7 S 4.9547 8.6777 115.5086 57.1568 65.6383 173.0666 8 C 5.5704 8.6413 119.0555 55.5112 39.5439 173.9794 9 S 4.6331 9.1460 118.5398 58.3033 67.4485 174.2014 10 G 3.9336 8.3874 115.0020 47.3448 0.0000 173.4231 11 T 4.4502 8.3556 111.6446 61.7752 69.2788 173.4552 12 T 4.8299 8.3465 119.7512 62.5643 71.1788 173.4337 13 V 4.6132 8.7526 126.9472 61.0005 34.5143 173.6230 14 D 5.2079 9.3209 128.3395 52.8830 42.8777 175.0780 15 C 4.7014 8.9992 123.6111 59.3374 28.9383 174.8380 16 S 4.4518 7.7223 113.6372 58.4893 63.0641 173.7228 17 G 4.0021 8.3238 107.7533 47.1385 0.0000 173.8856 18 K 4.5699 7.4270 113.4787 55.8054 33.7556 177.0571 19 S 4.3093 8.3724 111.4904 59.3319 60.7798 172.8900 20 L 4.2301 7.3034 117.8579 54.7059 41.8019 177.7729 21 A 4.7728 8.6467 121.6170 51.4266 20.8602 175.9865 22 S 4.4460 7.4681 108.1720 56.7198 65.8942 173.7158 23 V 3.7003 8.0964 120.6794 61.9074 31.4497 173.8726 24 P 4.4348 0.0000 0.0000 63.1676 31.8612 175.3759 25 T 4.4101 8.1649 115.7101 63.2988 70.2020 174.7958 26 G 3.7834 8.4802 109.9182 46.7199 0.0000 174.5925 27 I 3.9795 7.6801 119.3155 59.6690 37.6494 174.9723 28 P 4.3457 0.0000 0.0000 63.3712 31.6873 177.0323 29 T 4.3358 8.2995 109.8398 62.7792 69.4223 175.5811 30 T 4.1798 7.7316 111.2015 62.6640 69.2475 174.7239 31 T 4.0787 7.4001 119.4925 64.0304 69.1938 173.9722 32 Q 4.7198 9.0872 124.6208 55.3416 31.9733 175.5521 33 V 4.5883 7.5815 119.0318 60.7478 34.4138 174.2799 34 L 4.9055 8.6395 130.0515 53.5140 44.9721 174.7394 35 Y 5.1662 8.4228 125.7305 56.6783 39.1989 176.1636 36 L 5.0960 8.9703 126.4620 54.5098 43.2030 176.6871 37 Y 4.9618 8.0446 116.7784 55.1799 40.2715 173.9240 38 D 4.5819 8.4851 116.0035 54.9525 39.5357 170.6668 39 N 5.3413 7.5009 116.9036 51.4452 43.4137 176.5252 40 R 4.5136 8.5611 117.7902 56.6663 31.6275 176.0913 41 I 4.4283 8.2063 120.6412 61.1500 37.8200 176.8736 42 T 4.8210 8.6885 116.6448 61.1312 71.3442 174.2709 43 K 5.0049 7.9980 118.8812 54.3401 36.2156 175.8314 44 L 4.7061 8.3528 121.5012 52.8347 44.8114 176.1709 45 E 4.1653 8.5225 122.3091 54.9197 30.2136 174.2018 46 P 4.1276 0.0000 0.0000 64.0480 31.7016 176.2359 47 G 4.3352 8.9410 110.2290 45.0219 0.0000 175.2859 48 V 3.4016 7.4745 121.1055 63.9191 31.0245 177.1819 49 F 4.8871 7.6659 117.1456 58.1292 40.3557 177.5710 50 D 4.5260 7.8024 121.3675 57.2843 40.7368 179.2789 51 R 4.1256 7.9887 114.0729 57.8800 30.5309 177.1568 52 L 4.5423 9.2846 122.0850 53.6428 40.0611 177.0231 53 T 4.0574 7.6778 109.7415 63.6919 69.5831 176.7834 54 Q 4.2256 8.0160 119.7191 56.5100 29.4891 175.5969 55 L 4.3883 7.5773 120.3596 55.1199 42.1936 177.4651 56 T 4.8957 9.0005 113.2643 61.3382 71.5573 174.3704 57 R 4.9953 7.7418 121.9449 54.3171 34.0110 173.5739 58 L 4.9797 8.8576 127.5248 53.5549 45.4055 174.6435 59 D 5.4297 9.0253 127.1806 52.0921 42.3748 176.5984 60 L 5.0973 8.6065 123.5704 54.4045 43.1323 176.8256 61 D 4.7803 8.2937 119.2020 53.3356 41.2228 175.3230 62 N 4.7443 8.5113 112.8484 54.6174 37.0224 173.5455 63 N 5.8179 7.9590 116.4419 52.4558 39.7416 175.9200 64 Q 4.6754 9.0939 121.2074 56.3493 31.5765 175.0714 65 L 4.2401 8.3721 119.2834 56.1717 42.0221 177.9739 66 T 4.4550 8.5461 113.4696 62.7547 70.6235 175.0457 67 V 4.5784 7.5836 118.3829 60.4463 34.2456 173.5472 68 L 4.7053 8.2745 122.0052 51.8294 44.2116 174.8528 69 P 4.1518 0.0000 0.0000 62.4448 31.7022 175.3371 70 A 3.7958 8.4432 124.8674 53.4899 18.9514 177.2121 71 G 4.1048 8.8489 108.6730 45.1136 0.0000 176.0050 72 V 3.5652 7.4060 120.2996 63.6162 31.5083 176.9928 73 F 5.2182 7.6953 117.1296 57.2655 39.7045 176.9034 74 D 4.4869 8.1967 122.6987 57.2148 40.6784 178.3516 75 K 4.2912 8.0480 115.8572 57.5152 33.1208 177.2834 76 L 4.4561 7.6092 121.9243 53.8885 40.3795 177.1046 77 T 4.4459 7.5379 107.9126 62.4053 69.9753 176.4948 78 Q 4.4741 7.8676 119.9675 54.7038 29.2110 174.2141 79 L 4.7294 7.9566 121.5481 53.8755 42.5902 176.8193 80 T 4.9634 9.0887 117.5639 62.5275 70.8698 174.8914 81 Q 5.1524 7.9134 120.0279 53.8864 33.3439 174.3847 82 L 5.4765 9.3821 125.1895 53.0683 45.6181 174.5708 83 S 5.3738 8.8654 121.6316 56.9357 65.0397 174.2411 84 L 5.0314 9.0760 122.2487 53.9522 43.8200 176.2378 85 N 5.2293 8.4247 117.4660 52.0211 38.6908 174.0003 86 D 5.0682 8.3623 115.7967 54.6359 38.5928 171.3798 87 N 5.2036 7.3948 115.4695 52.1449 42.8069 176.7083 88 Q 4.5316 8.3976 123.0190 56.2284 30.5329 176.1159 89 L 4.1045 7.7941 119.4003 55.6153 41.7442 177.0307 90 K 5.1783 9.0988 121.1310 56.7374 35.0671 175.9063 91 S 5.0528 8.1052 111.7573 57.4858 65.9219 172.6393 92 I 4.6196 7.9789 120.2310 58.6508 39.7495 174.2955 93 P 4.1846 0.0000 0.0000 61.8230 31.8723 175.9371 94 R 3.0193 8.0080 122.1633 57.7259 30.4229 176.8300 95 G 4.1309 6.8568 112.5954 44.6558 0.0000 174.4662 96 A 3.8245 6.7089 123.2862 54.5540 18.5000 178.9673 97 F 5.0764 8.2060 112.7863 57.7647 40.1667 177.5280 98 D 4.6539 8.1400 121.3203 57.2538 40.5958 178.0819 99 N 4.7117 8.2259 114.8767 54.4940 39.5829 175.0433 100 L 4.9052 7.6602 120.4891 53.5512 39.9528 176.7795 101 R 4.1472 7.9189 118.7288 59.2485 29.9403 179.0291 102 S 4.6603 7.8384 112.1608 58.5057 63.8137 173.7147 103 L 4.8502 7.9248 123.6379 54.7168 41.6711 176.6308 104 T 4.7281 9.1764 115.6084 61.9555 71.4273 174.0427 105 H 4.7662 8.0454 118.3964 53.7579 32.9708 172.3408 106 I 5.0769 8.4796 122.2619 59.0061 41.9378 173.6301 107 W 5.1423 9.1582 128.3648 55.2328 31.0497 176.1233 108 L 5.0405 8.8755 123.2154 54.0555 43.5778 176.8779 109 L 4.3302 7.9127 119.3110 56.1773 41.6705 175.8127 110 N 4.2040 8.7792 113.2730 54.9250 35.7500 173.9819 111 N 4.9150 7.5862 113.0461 50.5876 42.5782 174.4670 112 P 4.4820 0.0000 0.0000 61.7130 29.9950 174.9942 113 W 4.7747 7.7678 126.5951 57.3298 29.3916 175.6811 114 D 4.4966 8.1564 122.6615 56.3298 41.4118 176.8593 *120 I 4.2229 7.4820 118.6728 60.8678 40.4241 177.9678 121 L 3.9843 7.9597 119.8816 57.9135 41.2826 178.6542 122 Y 4.1252 7.9957 119.1331 60.3789 38.7830 177.6597 123 L 3.7746 7.8058 120.7532 58.1026 41.9531 178.1991 124 S 4.2068 7.9861 114.5980 60.9374 62.0743 176.3160 125 R 3.6797 7.8035 120.5788 58.8431 29.6045 178.2252 126 W 3.9578 7.7579 127.6362 60.0732 30.9071 177.9311 127 I 3.5137 7.9155 119.8521 64.4921 36.3791 178.2493 128 S 3.9820 7.0635 114.0765 62.0851 62.7580 176.8215 129 Q 3.9752 7.4222 118.6177 57.6660 29.8593 176.0579 130 H 2.8526 7.1183 116.7354 53.3093 29.0503 172.4851 131 P 4.1974 0.0000 0.0000 63.4765 31.8902 177.3281 132 W 4.5099 6.9984 115.2780 56.8740 28.8659 176.3085 133 L 4.7212 7.0886 119.3039 55.3567 44.1364 176.3563 134 V 4.3500 7.2528 119.6358 61.9530 32.6213 174.8907 135 F 4.8697 8.6074 126.7682 55.6531 41.2903 176.4032 136 G 4.1373 8.3039 112.3815 45.5629 0.0000 174.5767 137 Y 4.7505 8.4847 118.5430 59.3506 39.9655 175.4937 138 L 4.8247 7.8701 117.0826 55.1987 42.5203 178.9477 139 N 5.2961 9.0530 131.8766 52.6224 40.3733 173.0074 140 L 2.9969 8.3317 122.8064 56.6751 42.3317 178.2540 141 D 4.4762 8.2018 125.0929 53.5568 42.2624 174.8887 142 H 4.3793 8.2523 117.2965 56.3952 28.7763 176.5585 143 D 4.5607 8.3972 120.3081 55.6118 41.3087 177.8286 144 S 4.0502 8.0740 113.7386 61.0204 63.0783 174.0344 145 A 4.3953 8.0114 122.6997 52.2855 18.4779 176.5355 146 R 5.1519 8.6087 119.6901 55.1419 33.5384 176.1177 147 C 4.7851 9.1636 120.9452 59.6409 29.3401 173.5258 148 S 4.0890 9.0898 119.1119 59.8933 62.9069 173.1798 149 G 4.1336 9.2735 117.0303 46.3744 0.0000 174.8061 150 T 3.9096 7.5221 111.3400 61.9728 69.4429 175.0037 151 N 4.4620 8.3778 118.3162 54.2172 38.0253 173.6771 152 T 4.3868 7.5606 105.7729 59.0880 70.3863 172.1357 153 P 4.5615 0.0000 0.0000 63.2635 31.4065 177.8109 154 V 3.6108 8.6666 123.1981 65.4608 31.7314 178.3209 155 R 4.0320 7.8287 115.3824 58.7892 29.5808 177.7259 156 A 3.9832 7.5370 120.8350 54.0830 18.5689 177.7375 157 V 3.5767 7.7461 116.1439 63.5069 32.0449 175.4129 158 T 4.5345 7.6926 115.8619 59.5637 70.9356 175.5188 159 K 3.7542 8.7243 123.3892 59.8121 32.1097 178.3730 160 A 4.3024 8.0861 117.4676 53.4112 18.0730 177.3682 161 S 4.6409 7.7969 109.7436 58.2075 64.7354 174.7119 162 T 4.2778 7.7238 111.5459 60.7909 69.7598 174.3419 163 S 4.4171 8.1747 115.6586 55.6469 64.1615 171.7926 164 P 4.4377 0.0000 0.0000 63.0712 30.9887 176.2409 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 A 8.26 4.26 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.40 4.55 0.00 3.02 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 3 P 0.00 4.43 0.00 2.22 2.07 0.00 3.66 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 4 S 8.70 4.18 0.00 3.85 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 5 Q 7.96 4.16 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 6 C 7.68 4.80 0.00 2.87 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 7 S 8.68 4.95 0.00 3.79 3.74 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 8 C 8.64 5.57 0.00 2.80 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 9 S 9.15 4.63 0.00 3.84 3.71 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 10 G 8.39 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 11 T 8.36 4.45 4.31 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 1.26 0.00 0.00 12 T 8.35 4.83 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 13 V 8.75 4.61 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 0.94 0.00 0.00 0.91 0.00 0.00 14 D 9.32 5.21 0.00 3.05 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 15 C 9.00 4.70 0.00 2.97 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 16 S 7.72 4.45 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 17 G 8.32 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 18 K 7.43 4.57 0.00 1.73 1.72 0.00 1.93 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.38 7.81 19 S 8.37 4.31 0.00 3.96 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 20 L 7.30 4.23 0.00 1.54 1.73 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.65 4.77 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 22 S 7.47 4.45 0.00 3.91 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 23 V 8.10 3.70 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 0.88 0.00 0.00 0.94 0.00 0.00 24 P 0.00 4.43 0.00 2.09 2.00 0.00 3.75 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 2.04 2.12 0.00 25 T 8.16 4.41 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 1.21 0.00 0.00 26 G 8.48 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 27 I 7.68 3.98 1.92 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 1.44 0.91 0.94 0.00 0.00 28 P 0.00 4.35 0.00 2.17 2.00 0.00 3.59 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 29 T 8.30 4.34 4.45 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 1.23 0.00 0.00 30 T 7.73 4.18 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 1.22 0.00 0.00 31 T 7.40 4.08 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 1.23 0.00 0.00 32 Q 9.09 4.72 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.22 0.00 33 V 7.58 4.59 1.85 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 0.44 0.00 0.00 0.86 0.00 0.00 34 L 8.64 4.91 0.00 1.69 1.40 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.42 5.17 0.00 3.11 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 36 L 8.97 5.10 0.00 1.75 1.72 1.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.04 4.96 0.00 3.29 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 38 D 8.49 4.58 0.00 3.09 2.66 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 39 N 7.50 5.34 0.00 2.69 2.95 0.00 0.00 6.77 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 40 R 8.56 4.51 0.00 1.76 1.88 0.00 3.29 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 41 I 8.21 4.43 1.92 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 1.16 1.37 0.99 0.00 0.00 42 T 8.69 4.82 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 1.23 0.00 0.00 43 K 8.00 5.00 0.00 1.59 1.68 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.37 7.81 44 L 8.35 4.71 0.00 1.55 1.44 1.11 0.96 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 45 E 8.52 4.17 0.00 1.90 1.79 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 2.33 2.22 0.00 46 P 0.00 4.13 0.00 1.98 1.98 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 47 G 8.94 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 48 V 7.47 3.40 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 -0.29 0.00 0.00 0.57 0.00 0.00 49 F 7.67 4.89 0.00 3.22 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 50 D 7.80 4.53 0.00 2.95 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 51 R 7.99 4.13 0.00 1.95 2.08 0.00 3.02 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 52 L 9.28 4.54 0.00 1.96 1.73 1.19 0.60 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 53 T 7.68 4.06 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 1.30 0.00 0.00 54 Q 8.02 4.23 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.13 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 55 L 7.58 4.39 0.00 1.81 1.55 0.87 0.48 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 56 T 9.00 4.90 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 1.28 0.00 0.00 57 R 7.74 5.00 0.00 1.87 1.73 0.00 3.36 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 58 L 8.86 4.98 0.00 1.59 1.29 0.62 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 59 D 9.03 5.43 0.00 3.09 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 60 L 8.61 5.10 0.00 1.76 1.79 1.25 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.29 4.78 0.00 2.90 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 62 N 8.51 4.74 0.00 3.09 3.02 0.00 0.00 6.76 6.25 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 63 N 7.96 5.82 0.00 2.75 2.95 0.00 0.00 7.04 7.69 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 64 Q 9.09 4.68 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 65 L 8.37 4.24 0.00 1.64 1.66 1.05 0.62 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 66 T 8.55 4.45 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 1.26 0.00 0.00 67 V 7.58 4.58 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 0.65 0.00 0.00 0.92 0.00 0.00 68 L 8.27 4.71 0.00 1.55 1.46 1.15 1.17 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 69 P 0.00 4.15 0.00 2.11 2.12 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 70 A 8.44 3.80 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 71 G 8.85 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.41 3.57 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 -0.43 0.00 0.00 0.88 0.00 0.00 73 F 7.70 5.22 0.00 3.40 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.20 4.49 0.00 2.93 2.77 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 75 K 8.05 4.29 0.00 1.81 1.92 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.64 1.56 7.81 76 L 7.61 4.46 0.00 1.73 1.66 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.54 4.45 4.29 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 1.34 0.00 0.00 78 Q 7.87 4.47 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 79 L 7.96 4.73 0.00 1.69 1.61 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 80 T 9.09 4.96 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 1.32 0.00 0.00 81 Q 7.91 5.15 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 82 L 9.38 5.48 0.00 1.50 1.29 0.62 0.06 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 83 S 8.87 5.37 0.00 4.16 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 84 L 9.08 5.03 0.00 1.90 1.91 1.26 1.55 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 85 N 8.42 5.23 0.00 3.00 3.16 0.00 0.00 6.93 8.07 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 86 D 8.36 5.07 0.00 3.00 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 87 N 7.39 5.20 0.00 2.52 2.67 0.00 0.00 7.01 7.69 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 88 Q 8.40 4.53 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 89 L 7.79 4.10 0.00 1.01 1.56 1.06 0.95 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 90 K 9.10 5.18 0.00 1.70 1.89 0.00 1.98 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.19 7.81 91 S 8.11 5.05 0.00 4.03 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 92 I 7.98 4.62 1.88 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.93 0.42 0.00 0.00 93 P 0.00 4.18 0.00 1.94 1.81 0.00 3.44 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 2.01 2.03 0.00 94 R 8.01 3.02 0.00 1.58 1.66 0.00 3.24 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 95 G 6.86 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 0.00 0.00 0.00 0.00 96 A 6.71 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.21 5.08 0.00 2.64 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 98 D 8.14 4.65 0.00 3.07 2.86 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 99 N 8.23 4.71 0.00 2.94 3.03 0.00 0.00 7.19 6.74 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 0.00 100 L 7.66 4.91 0.00 1.87 1.68 0.88 0.88 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 0.00 101 R 7.92 4.15 0.00 2.06 2.27 0.00 3.00 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 102 S 7.84 4.66 0.00 3.95 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 0.00 103 L 7.92 4.85 0.00 1.81 1.66 0.87 0.78 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 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2.14 0.00 3.41 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 113 W 7.77 4.77 0.00 3.46 3.10 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 0.00 0.00 0.00 0.00 114 D 8.16 4.50 0.00 2.92 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 *120 I 7.48 4.22 1.93 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 1.44 1.25 0.93 0.00 0.00 121 L 7.96 3.98 0.00 1.76 1.75 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 8.00 4.13 0.00 3.00 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 0.00 123 L 7.81 3.77 0.00 1.68 1.63 0.79 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.99 4.21 0.00 3.87 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 0.00 125 R 7.80 3.68 0.00 1.90 2.00 0.00 3.16 0.00 0.00 3.11 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0.75 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.25 4.35 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 0.92 0.00 0.00 0.84 0.00 0.00 135 F 8.61 4.87 0.00 1.58 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 0.00 136 G 8.30 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.48 4.75 0.00 3.09 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 0.00 138 L 7.87 4.82 0.00 1.52 1.09 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 139 N 9.05 5.30 0.00 2.81 2.81 0.00 0.00 6.42 6.74 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 0.00 140 L 8.33 3.00 0.00 1.11 1.35 0.28 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.20 4.48 0.00 2.61 2.41 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 0.00 142 H 8.25 4.38 0.00 3.10 3.17 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.40 4.56 0.00 2.90 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 0.00 144 S 8.07 4.05 0.00 3.93 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 0.00 145 A 8.01 4.40 1.21 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 0.00 146 R 8.61 5.15 0.00 1.77 1.89 0.00 3.26 0.00 0.00 3.62 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 147 C 9.16 4.79 0.00 2.91 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 0.00 148 S 9.09 4.09 0.00 3.84 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 0.00 149 G 9.27 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 0.00 0.00 0.00 0.00 150 T 7.52 3.91 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 1.23 0.00 0.00 151 N 8.38 4.46 0.00 2.93 3.01 0.00 0.00 7.22 7.30 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 0.00 152 T 7.56 4.39 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 1.23 0.00 0.00 153 P 0.00 4.56 0.00 2.14 2.10 0.00 3.59 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 2.09 2.22 0.00 154 V 8.67 3.61 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 0.75 0.00 0.00 0.93 0.00 0.00 155 R 7.83 4.03 0.00 1.81 1.89 0.00 2.75 0.00 0.00 2.98 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 156 A 7.54 3.98 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 0.00 157 V 7.75 3.58 2.25 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 0.85 0.00 0.00 0.94 0.00 0.00 158 T 7.69 4.53 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 0.00 159 K 8.72 3.75 0.00 1.81 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.47 7.81 160 A 8.09 4.30 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 0.00 161 S 7.80 4.64 0.00 4.00 3.96 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 0.00 162 T 7.72 4.28 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 1.29 0.00 0.00 163 S 8.17 4.42 0.00 3.79 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 0.00 164 P 0.00 4.44 0.00 2.22 2.03 0.00 3.86 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 1.99 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.