NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4324 8.1648 122.9795 53.2119 19.9085 175.4049 2 T 3.2982 9.1743 118.6337 62.0425 68.6266 170.0860 3 K 4.7716 8.6191 127.9465 55.5411 35.6134 175.4968 4 A 4.6264 8.7512 124.3845 50.9176 21.1726 176.1573 5 V 4.7497 8.3601 119.8765 61.0918 34.8215 174.4980 6 A 4.8047 8.4240 128.6897 49.5886 20.9141 174.9670 7 V 4.0755 8.2550 121.2294 64.2146 32.8114 174.5444 8 L 4.4711 8.8289 129.8453 53.9239 42.7470 176.4580 9 K 4.0951 9.1980 123.8743 56.8367 35.1135 178.3997 10 G 3.9250 8.3399 105.9314 46.7808 0.0000 173.5591 11 D 4.6165 8.8087 119.4835 54.9064 43.4304 176.1942 12 G 3.7836 8.1177 107.1134 44.8197 0.0000 171.8957 13 P 4.5968 0.0000 0.0000 62.0035 30.1317 176.0038 14 V 4.6609 7.0779 116.8378 61.9128 35.5270 174.0368 15 Q 4.7520 8.8818 122.0031 55.3317 32.1321 173.5393 16 G 4.4033 8.8687 108.6729 45.8411 0.0000 171.8855 17 I 5.1237 8.0005 119.7178 59.4394 40.9922 174.9437 18 I 4.5308 8.8584 128.5813 60.5843 39.0153 174.7324 19 N 4.9659 9.2001 124.3955 51.6274 40.9635 173.5628 20 F 4.6242 9.0250 124.6542 56.2303 40.4535 175.1055 21 E 4.8997 7.6452 123.6938 55.0239 33.4366 173.3446 22 Q 4.6192 8.1602 121.6596 55.0129 32.1947 174.8543 23 K 4.0092 8.9455 123.5305 59.3592 32.6505 178.1863 24 E 4.4942 7.6906 118.8037 55.8351 31.3749 175.0929 25 S 4.5400 8.0489 113.0219 61.2648 64.5646 175.5132 26 N 4.6335 7.7734 121.2795 50.9506 35.1386 173.6470 27 G 4.0054 7.4729 112.9904 45.8004 0.0000 168.2756 28 P 4.5994 0.0000 0.0000 61.2748 32.2971 176.1001 29 V 3.5856 8.0838 123.0785 62.4716 32.9913 174.9545 30 K 4.3348 8.6106 127.6450 54.9135 33.2164 175.0391 31 V 3.9150 8.5258 127.0549 61.3137 32.8430 174.7359 32 W 5.5082 7.4199 124.4558 53.8107 31.4829 174.4895 33 G 4.5048 8.4507 107.2837 45.1435 0.0000 172.2679 34 S 5.0944 8.3991 114.9898 56.5861 61.7936 173.6141 35 I 4.3402 7.6317 124.7334 61.4531 39.1170 176.4498 36 K 5.2327 8.7263 124.0928 54.7260 35.7111 177.1833 37 G 3.9478 8.4041 107.3460 44.9450 0.0000 174.0447 38 L 4.0503 7.6110 119.7613 54.5428 42.2342 176.8024 39 T 4.0429 8.0349 110.4237 61.4330 69.1674 173.5666 40 E 4.2122 8.4751 122.3559 57.2227 30.5414 177.7347 41 G 3.8745 8.6870 107.7579 44.9973 0.0000 172.9111 42 L 4.6771 8.1862 118.4972 55.3054 42.8670 176.9201 43 H 4.9465 9.4457 119.5448 54.0583 33.0709 173.3343 44 G 3.9650 9.3499 111.7400 47.1248 0.0000 172.2615 45 F 4.7345 9.3334 124.4192 56.5257 41.6756 172.6576 46 H 5.2251 9.1386 122.4532 53.5894 32.9585 173.1876 47 V 4.7007 8.8402 122.1506 60.5710 32.6498 174.9966 48 H 4.7879 8.9229 123.4776 55.7398 30.2743 177.5607 49 E 4.1187 9.5077 116.9415 57.6978 29.6044 178.0967 50 E 4.5326 9.3851 114.0657 56.0828 28.9813 174.4140 51 E 4.4118 8.1046 126.0027 57.3936 29.0509 179.4656 52 D 4.8358 9.0443 125.6149 53.4015 39.5113 176.6720 53 N 4.4929 7.9477 121.4534 56.3976 39.7105 176.4275 54 T 4.1366 7.4731 115.3627 63.3727 75.8124 172.6889 55 A 4.4705 7.5330 126.7312 52.5847 25.7202 174.9544 56 G 4.4246 7.7061 105.9969 44.7314 0.0000 173.7431 57 C 4.5765 8.4483 119.2968 57.7331 40.7269 174.4111 58 T 4.5089 7.9082 114.9465 64.3389 71.9199 173.0923 59 S 4.5401 7.8508 123.5176 58.9626 67.8097 177.0009 60 A 4.5747 9.1847 122.3957 51.1121 19.7677 175.4833 61 G 3.8129 9.0302 107.0958 45.6434 0.0000 174.1409 62 P 4.3811 0.0000 0.0000 62.0835 33.7490 177.0670 63 H 4.3597 8.0855 115.2537 55.9971 27.7376 176.6449 64 F 3.6591 8.1134 121.1304 59.1733 38.0614 173.5724 65 N 4.6647 7.7283 118.4387 51.8605 39.4939 172.7979 66 P 4.1832 0.0000 0.0000 65.5714 31.5710 175.9476 67 L 4.6611 7.4649 118.6790 55.3039 49.7708 176.0300 68 S 4.7679 7.3039 113.7800 57.8962 64.9185 174.2494 69 R 4.2342 8.9824 122.2568 55.7311 31.1869 176.3612 70 K 4.7629 7.9189 118.2911 54.8031 34.7646 175.7903 71 H 4.4916 9.0870 123.1700 56.3058 30.8027 174.5877 72 G 4.1617 6.8038 105.3902 46.2293 0.0000 175.4546 73 G 4.1174 8.8198 113.9710 44.5133 0.0000 171.9099 74 P 4.3912 0.0000 0.0000 65.8840 31.7545 177.9610 75 K 3.9900 8.0919 117.3842 58.7578 31.7934 176.8667 76 D 4.5498 7.9419 117.2521 54.2802 41.8538 176.9178 77 E 3.9321 8.7149 121.2969 59.1708 29.8137 177.3408 78 E 4.6254 8.6072 118.3252 55.0122 32.0393 175.1547 79 R 4.5250 7.7270 116.1018 56.2733 31.2123 174.0117 80 H 4.5344 8.8612 118.0024 55.0577 30.2014 176.1774 81 V 4.2613 8.3742 119.3803 61.6944 31.7186 177.1037 82 G 4.2397 8.4640 105.0602 46.3528 0.0000 173.2703 83 D 5.2118 8.2255 118.0363 51.2703 42.4947 174.9874 84 L 4.5114 9.3927 122.0510 55.1814 44.5621 178.8345 85 G 4.6128 7.4294 110.1222 45.9439 0.0000 173.3298 86 N 5.5962 8.7857 115.9700 52.0645 41.4980 174.4050 87 V 4.6504 9.2865 112.1087 59.9670 36.3773 174.6379 88 T 5.1035 8.3351 116.4331 61.9960 71.7184 173.3423 89 A 4.5427 9.1016 128.7096 51.9889 20.7687 175.8521 90 D 4.4592 9.2834 122.6610 55.3057 40.3595 176.3979 91 K 4.6163 8.3336 123.3327 58.2546 39.7573 175.3706 92 D 4.5615 8.2831 116.7203 54.0229 41.1081 176.5559 93 G 4.1362 8.1646 103.3084 45.3572 0.0000 173.5474 94 V 4.1061 7.6337 119.9755 62.2968 31.7178 175.4294 95 A 5.1692 8.6112 129.7066 50.0213 21.4928 176.1555 96 D 4.5030 8.3416 117.6581 51.9638 42.1383 175.8546 97 V 3.7113 8.3255 132.2369 61.4540 29.9821 176.5023 98 S 5.1572 7.5565 116.5596 57.5932 63.6431 175.6417 99 I 4.6468 8.7389 125.3004 59.5898 41.7028 174.6143 100 E 5.0867 8.4231 124.2785 53.8347 29.5307 174.1317 101 D 4.7945 8.2168 124.2476 53.1559 43.2643 175.9893 102 S 4.7022 8.5965 114.4635 57.9940 64.1147 174.6410 103 V 3.9596 8.1956 120.7490 64.8807 31.9715 176.2700 104 I 4.1524 8.4162 111.8648 60.5013 38.8137 173.9288 105 S 4.6172 8.0601 113.8699 57.5835 65.4723 173.5811 106 L 5.2413 7.7199 118.8684 55.7564 40.4505 177.8746 107 S 4.3927 8.9545 114.4956 59.2745 63.3691 174.2317 108 G 3.9299 8.2875 105.9462 46.1509 0.0000 174.0649 109 D 4.3611 8.9525 122.4740 55.7685 40.6411 174.8011 110 H 4.3212 9.5177 115.5432 57.3256 29.6809 175.7139 111 S 4.3955 7.9716 116.2250 58.9686 63.2043 174.3907 112 I 3.9297 8.0937 113.9372 60.6868 38.2103 175.6992 113 I 3.5725 7.6120 121.2341 63.1207 38.0255 174.0807 114 G 4.1750 9.0410 114.8758 46.6931 0.0000 174.0818 115 R 4.4926 7.8574 118.1588 55.9036 32.3012 176.2760 116 T 4.7280 8.6191 117.8118 62.3134 69.5030 174.9927 117 L 4.5703 8.2701 127.0946 54.7849 43.2216 176.7281 118 V 4.6180 8.6814 121.3268 61.2425 35.4426 174.2173 119 V 4.2219 8.2615 120.5604 59.8885 33.6332 174.9230 120 H 4.8835 8.9117 122.8127 53.9412 30.6976 173.6438 121 E 3.8426 9.1521 120.1590 59.5004 29.0595 179.1891 122 K 4.5679 8.6517 117.5518 54.4833 35.2859 175.5738 123 A 4.2643 8.4435 123.5659 52.4468 18.6831 177.1538 124 D 4.7780 8.3192 120.1036 52.6337 40.3635 176.2302 125 D 4.3343 8.8489 119.0695 55.3312 41.4270 178.4020 126 L 3.9119 9.7120 117.8679 54.7353 40.9961 175.3389 127 G 4.2653 8.0521 105.3347 46.8750 0.0000 174.6759 128 K 4.0234 8.4227 122.3124 56.0764 33.4132 175.7296 129 G 3.6768 9.0346 106.1975 45.5303 0.0000 173.5924 130 G 3.8288 9.2896 108.7285 48.2570 0.0000 171.8329 131 N 4.8312 7.3420 114.9241 51.4850 40.8684 173.8521 132 E 4.8895 8.1072 124.9140 55.2131 33.3887 178.7985 133 Q 3.9830 8.0439 117.6827 60.4160 28.5248 179.0141 134 S 3.6431 8.0842 111.2196 62.3173 63.0668 176.5337 135 T 3.9860 7.8396 112.6075 64.8573 69.0503 176.8873 136 K 3.9398 8.0364 120.8337 58.8291 32.2268 177.3946 137 T 4.0643 9.3047 105.2881 61.9241 70.4477 175.2586 138 G 4.2604 9.0793 122.1291 44.9395 0.0000 171.2610 139 N 4.0128 7.7020 118.4301 54.4731 37.3394 173.8653 140 A 3.9398 7.5711 124.4435 53.3864 19.2531 179.1873 141 G 4.2776 8.0249 100.5335 44.5852 0.0000 172.7959 142 S 4.3574 8.2867 113.7995 58.8635 63.9587 174.6252 143 R 3.9092 8.4427 120.9638 56.5304 30.4050 174.6569 144 L 4.6539 8.6799 118.8904 54.4833 44.4649 175.5025 145 A 5.3574 7.6171 119.4136 49.8573 22.8870 173.1679 146 C 5.4936 7.1082 112.9605 55.3007 39.5055 172.7527 147 G 4.4671 7.8774 105.1746 45.4627 0.0000 172.8702 148 V 4.1493 7.8978 123.2674 62.8582 32.3339 175.2308 149 I 4.1852 9.5888 128.5319 59.7235 39.4039 174.6271 150 G 3.2734 7.9027 121.8417 45.4664 0.0000 174.2415 151 I 4.1816 7.0150 122.9203 59.1208 36.2119 173.2582 152 A 4.5466 7.0865 121.7415 51.8085 22.5358 176.7777 153 Q 4.2182 8.4156 117.1519 56.3623 29.5683 175.9648 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 8.16 4.43 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 2 T 9.17 3.30 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 1.22 0.00 0.00 3 K 8.62 4.77 0.00 1.80 1.81 0.00 1.83 0.00 0.00 1.92 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 4 A 8.75 4.63 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 5 V 8.36 4.75 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 0.87 0.00 0.00 0.95 0.00 0.00 6 A 8.42 4.80 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 7 V 8.25 4.08 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 1.05 0.00 0.00 0.93 0.00 0.00 8 L 8.83 4.47 0.00 1.64 1.53 0.97 0.82 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 9 K 9.20 4.10 0.00 1.75 1.68 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.36 7.81 10 G 8.34 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 11 D 8.81 4.62 0.00 2.57 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.12 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 13 P 0.00 4.60 0.00 2.18 2.10 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 14 V 7.08 4.66 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 1.02 0.00 0.00 0.93 0.00 0.00 15 Q 8.88 4.75 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.39 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 16 G 8.87 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 0.00 0.00 0.00 0.00 17 I 8.00 5.12 1.92 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 1.37 0.80 0.95 0.00 0.00 18 I 8.86 4.53 1.82 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 1.41 0.91 0.94 0.00 0.00 19 N 9.20 4.97 0.00 2.65 2.70 0.00 0.00 6.90 7.81 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 20 F 9.02 4.62 0.00 2.81 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 21 E 7.65 4.90 0.00 1.83 1.58 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 2.23 2.37 0.00 22 Q 8.16 4.62 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 23 K 8.95 4.01 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.49 7.81 24 E 7.69 4.49 0.00 2.06 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 2.35 2.38 0.00 25 S 8.05 4.54 0.00 3.84 3.82 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 0.00 0.00 0.00 26 N 7.77 4.63 0.00 2.82 2.85 0.00 0.00 5.80 6.99 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 27 G 7.47 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 28 P 0.00 4.60 0.00 2.15 2.04 0.00 3.35 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 29 V 8.08 3.59 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.83 0.00 0.00 30 K 8.61 4.33 0.00 1.91 2.05 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.35 7.81 31 V 8.53 3.92 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 1.25 0.00 0.00 0.51 0.00 0.00 32 W 7.42 5.51 0.00 3.32 3.22 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 0.00 0.00 0.00 0.00 33 G 8.45 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.40 5.09 0.00 3.89 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 35 I 7.63 4.34 2.00 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 1.74 0.66 1.02 0.00 0.00 36 K 8.73 5.23 0.00 2.03 1.89 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.43 7.81 37 G 8.40 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 38 L 7.61 4.05 0.00 1.74 1.38 0.95 0.66 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 39 T 8.03 4.04 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 1.22 0.00 0.00 40 E 8.48 4.21 0.00 2.01 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 2.34 2.34 0.00 41 G 8.69 3.87 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 0.00 42 L 8.19 4.68 0.00 1.49 1.58 0.92 0.94 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 43 H 9.45 4.95 0.00 3.10 3.36 0.00 5.64 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 G 9.35 3.97 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 0.00 0.00 0.00 45 F 9.33 4.73 0.00 3.07 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 46 H 9.14 5.23 0.00 3.18 2.87 0.00 5.65 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.84 4.70 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 0.88 0.00 0.00 0.89 0.00 0.00 48 H 8.92 4.79 0.00 3.06 3.34 0.00 5.70 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 49 E 9.51 4.12 0.00 2.13 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 2.42 2.32 0.00 50 E 9.39 4.53 0.00 2.19 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 2.41 2.33 0.00 51 E 8.10 4.41 0.00 2.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 52 D 9.04 4.84 0.00 2.78 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 53 N 7.95 4.49 0.00 2.88 2.88 0.00 0.00 7.10 7.37 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 54 T 7.47 4.14 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 1.20 0.00 0.00 55 A 7.53 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.71 4.42 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 0.00 57 C 8.45 4.58 0.00 2.93 3.09 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 58 T 7.91 4.51 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 1.20 0.00 0.00 59 S 7.85 4.54 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 60 A 9.18 4.57 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 61 G 9.03 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 62 P 0.00 4.38 0.00 2.10 2.01 0.00 3.91 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 63 H 8.09 4.36 0.00 3.00 3.46 0.00 5.87 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.11 3.66 0.00 3.13 3.01 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 65 N 7.73 4.66 0.00 2.71 2.67 0.00 0.00 7.30 7.95 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 66 P 0.00 4.18 0.00 2.20 2.15 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 67 L 7.46 4.66 0.00 1.56 1.58 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.30 4.77 0.00 3.84 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 69 R 8.98 4.23 0.00 1.78 1.72 0.00 3.32 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 70 K 7.92 4.76 0.00 1.57 1.68 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.37 7.81 71 H 9.09 4.49 0.00 3.28 3.31 0.00 5.99 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 72 G 6.80 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.82 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 0.00 0.00 0.00 0.00 74 P 0.00 4.39 0.00 2.20 2.21 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 75 K 8.09 3.99 0.00 1.78 1.93 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.44 7.81 76 D 7.94 4.55 0.00 2.85 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 77 E 8.71 3.93 0.00 2.00 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 2.31 2.33 0.00 78 E 8.61 4.63 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 79 R 7.73 4.53 0.00 1.97 1.94 0.00 3.04 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 0.00 80 H 8.86 4.53 0.00 3.45 3.45 0.00 5.80 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.37 4.26 2.18 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 1.09 0.00 0.00 1.00 0.00 0.00 82 G 8.46 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 0.00 0.00 0.00 0.00 83 D 8.23 5.21 0.00 2.79 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 84 L 9.39 4.51 0.00 1.80 1.83 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.43 4.61 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 0.00 86 N 8.79 5.60 0.00 2.86 3.03 0.00 0.00 5.73 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 87 V 9.29 4.65 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 0.39 0.00 0.00 1.20 0.00 0.00 88 T 8.34 5.10 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 1.19 0.00 0.00 89 A 9.10 4.54 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 90 D 9.28 4.46 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.33 4.62 0.00 1.68 1.76 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.67 7.81 92 D 8.28 4.56 0.00 2.80 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.16 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 94 V 7.63 4.11 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 1.06 0.00 0.00 1.00 0.00 0.00 95 A 8.61 5.17 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 96 D 8.34 4.50 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.33 3.71 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 0.11 0.00 0.00 0.80 0.00 0.00 98 S 7.56 5.16 0.00 3.82 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 99 I 8.74 4.65 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.68 0.91 0.00 0.00 100 E 8.42 5.09 0.00 1.91 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 101 D 8.22 4.79 0.00 2.84 2.47 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 0.00 102 S 8.60 4.70 0.00 3.95 3.87 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 0.00 103 V 8.20 3.96 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 0.83 0.00 0.00 0.97 0.00 0.00 104 I 8.42 4.15 1.91 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 1.42 0.59 0.97 0.00 0.00 105 S 8.06 4.62 0.00 4.02 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 0.00 106 L 7.72 5.24 0.00 1.97 1.98 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.95 4.39 0.00 3.81 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 0.00 108 G 8.29 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 0.00 109 D 8.95 4.36 0.00 2.80 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 0.00 0.00 0.00 0.00 110 H 9.52 4.32 0.00 3.17 3.37 0.00 5.97 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 0.00 111 S 7.97 4.40 0.00 3.85 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 0.00 112 I 8.09 3.93 1.74 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.03 0.81 0.00 0.00 113 I 7.61 3.57 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 1.32 0.76 0.90 0.00 0.00 114 G 9.04 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 0.00 115 R 7.86 4.49 0.00 1.77 2.05 0.00 2.74 0.00 0.00 2.62 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.53 0.00 116 T 8.62 4.73 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 0.00 117 L 8.27 4.57 0.00 1.51 1.48 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.68 4.62 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 0.46 0.00 0.00 0.76 0.00 0.00 119 V 8.26 4.22 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 0.36 0.00 0.00 0.87 0.00 0.00 120 H 8.91 4.88 0.00 3.10 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.15 3.84 0.00 2.13 1.97 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 2.37 2.34 0.00 122 K 8.65 4.57 0.00 1.88 1.75 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.41 7.81 123 A 8.44 4.26 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 0.00 124 D 8.32 4.78 0.00 2.89 2.82 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 0.00 0.00 0.00 125 D 8.85 4.33 0.00 2.75 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 0.00 126 L 9.71 3.91 0.00 1.89 1.86 0.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.05 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 0.00 0.00 0.00 0.00 128 K 8.42 4.02 0.00 1.74 1.85 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.38 7.81 129 G 9.03 3.68 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 0.00 0.00 0.00 130 G 9.29 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 0.00 131 N 7.34 4.83 0.00 2.79 2.71 0.00 0.00 6.86 7.77 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 0.00 132 E 8.11 4.89 0.00 1.98 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 2.12 2.14 0.00 133 Q 8.04 3.98 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.38 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 134 S 8.08 3.64 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.84 3.99 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 0.00 136 K 8.04 3.94 0.00 1.73 1.92 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.64 7.81 137 T 9.30 4.06 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 1.10 0.00 0.00 138 G 9.08 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 0.00 0.00 0.00 0.00 139 N 7.70 4.01 0.00 2.81 2.84 0.00 0.00 7.34 7.97 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 0.00 140 A 7.57 3.94 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 0.00 141 G 8.02 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 0.00 0.00 0.00 0.00 142 S 8.29 4.36 0.00 3.80 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 0.00 143 R 8.44 3.91 0.00 1.61 1.70 0.00 2.92 0.00 0.00 2.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 144 L 8.68 4.65 0.00 1.52 1.48 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.62 5.36 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 0.00 146 C 7.11 5.49 0.00 3.01 3.03 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 0.00 147 G 7.88 4.47 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 0.00 148 V 7.90 4.15 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 0.75 0.00 0.00 1.04 0.00 0.00 149 I 9.59 4.19 1.61 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.12 0.76 0.00 0.00 150 G 7.90 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.02 4.18 1.85 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 1.42 0.89 0.90 0.00 0.00 152 A 7.09 4.55 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 0.00 153 Q 8.42 4.22 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00