NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2386 8.1727 122.0522 56.2803 34.2278 173.7933 2 V 4.6164 8.0842 124.8798 60.7056 33.0598 174.5459 3 F 4.3716 9.9669 128.5809 57.1833 40.4828 174.9028 4 E 4.2336 9.1198 120.7668 55.8082 30.8302 177.2120 5 R 3.3902 8.9991 121.8481 60.6318 29.9253 179.5340 6 C 4.3221 8.0480 115.2279 59.7036 39.9702 175.6967 7 E 3.8938 8.1031 120.6479 59.0956 29.2593 178.3410 8 L 3.5315 8.0166 120.0363 58.0059 42.1149 178.4774 9 A 3.9353 7.8327 120.5571 55.5799 18.2798 179.8519 10 R 3.8941 8.3371 116.6243 59.7099 30.0411 179.5657 11 T 3.8819 7.8763 115.5477 66.6005 68.4715 176.9394 12 L 3.8338 8.0193 121.1053 57.3598 41.5639 179.4716 13 K 3.9135 8.0513 119.7886 59.5230 31.9466 178.9038 14 R 3.9398 7.7862 117.8570 59.1140 30.0177 177.5373 15 L 4.3513 7.6844 116.3197 54.3017 41.5716 177.0215 16 G 3.8388 7.7225 106.6733 46.9146 0.0000 175.1062 17 M 3.9038 7.8501 121.5001 56.2495 32.5520 175.4399 18 D 4.6546 7.9587 117.3396 57.0497 40.8094 175.9868 19 G 3.9675 9.7171 116.9902 44.9148 0.0000 171.2111 20 Y 4.1113 8.1613 121.9293 58.9473 38.8040 176.2346 21 R 3.3077 9.1023 125.5490 57.1758 27.5324 177.3319 22 G 3.8331 8.5411 105.3735 45.2729 0.0000 174.0614 23 I 4.0527 7.4960 122.0385 59.4619 37.9882 175.8679 24 S 4.6541 8.2737 120.9656 57.6311 65.1048 174.6431 25 L 4.1964 8.4898 124.5881 58.6182 41.8256 179.2151 26 A 4.1304 8.1682 120.0313 55.3110 18.2799 179.1457 27 N 4.4384 7.9223 113.7309 56.4910 38.6975 177.7200 28 W 4.1299 7.9763 119.8866 59.9219 29.0278 178.6295 29 M 4.1652 8.5380 119.1863 58.5461 31.5770 177.9341 30 C 3.1967 8.5166 119.0256 59.0952 44.6160 175.4295 31 L 4.0627 8.2624 121.8977 58.0760 41.6153 178.8581 32 A 4.0895 8.0735 120.6735 54.9441 18.3959 179.2749 33 K 2.7255 8.1033 118.2595 59.3810 31.9393 178.9139 34 W 4.4367 7.2671 116.3965 58.7430 29.1014 178.2899 35 E 4.4067 8.1289 118.5818 58.3039 29.7275 177.4496 36 S 4.5383 8.0814 110.3065 56.8777 64.2588 174.9023 37 G 3.5325 8.0803 108.3452 46.6784 0.0000 173.6570 38 Y 3.7740 7.8013 114.0315 58.3796 35.1028 167.8447 39 N 5.4345 7.6933 118.9789 51.9192 40.6277 175.8578 40 T 4.0201 9.4100 116.4260 63.8159 69.1795 175.8156 41 R 4.4743 8.2291 119.6949 55.8153 30.8475 176.2827 42 A 4.3857 7.6583 122.1247 52.3779 19.4478 177.0090 43 T 5.1240 8.2954 110.3288 60.1632 72.4603 172.9324 44 N 4.9208 8.7119 121.8120 52.3899 42.7267 172.3166 45 Y 4.7736 8.7541 127.6336 56.9925 40.7361 174.0417 46 N 4.9659 8.0749 124.1448 50.2978 37.8946 174.8436 47 A 3.8296 7.9628 124.7316 54.7066 18.5316 179.2525 48 G 3.5944 7.4997 104.4894 47.7999 0.0000 173.7740 49 D 4.5657 7.6835 119.3207 51.6937 40.4487 176.2816 50 R 4.2894 8.3182 117.8080 57.8895 27.8502 175.8818 51 S 5.0191 7.6943 110.4928 56.8903 66.7091 173.1288 52 T 5.0950 8.7007 117.1692 61.9838 72.2521 172.4966 53 D 5.5767 9.1351 124.6983 52.9563 43.5289 174.9925 54 Y 4.8093 9.0772 120.8430 57.3480 41.5427 177.5191 55 G 4.4057 8.8826 112.6310 45.3512 0.0000 173.5154 56 I 3.9675 8.2119 116.8822 62.6697 37.6723 176.8711 57 F 4.7661 7.8852 115.1487 56.3139 40.3177 174.9082 58 Q 3.6338 8.2119 119.5417 57.1288 26.4967 174.1149 59 I 4.4166 8.2639 119.0540 61.0761 39.2150 177.1908 60 N 5.5857 9.5450 125.9166 53.2258 39.8902 175.4338 61 S 4.9135 8.9717 119.0873 59.3565 63.5784 175.3040 62 R 3.7798 9.8749 123.4131 58.7434 30.3062 177.6150 63 Y 4.1432 7.9594 114.9167 57.8199 40.4762 176.9261 64 W 4.9274 8.2375 118.4594 57.9981 31.1160 174.0228 65 C 5.6300 8.3398 112.3108 53.5273 44.5161 171.6637 66 N 5.1856 8.7509 118.0920 51.8302 40.4951 174.3706 67 D 4.7329 8.9177 123.6184 52.4273 40.5000 177.0206 68 G 4.0333 9.1632 109.2149 45.6632 0.0000 174.5802 69 K 4.4590 8.4006 116.8646 56.5710 32.9331 175.7138 70 T 4.5123 7.7455 116.7385 61.0227 69.8091 172.4813 71 P 4.2853 0.0000 0.0000 63.4479 31.6722 175.9023 72 G 3.8550 8.7284 104.7207 46.0789 0.0000 173.3776 73 A 4.1115 7.3823 120.3889 51.9775 18.8952 178.5243 74 V 3.8922 8.3984 122.3193 62.8427 33.0772 175.6861 75 N 4.1746 8.0325 116.0439 54.0269 36.9040 175.1652 76 A 3.9352 8.0665 121.4310 55.2685 18.8143 178.7152 77 C 4.4879 8.6601 111.8034 57.4931 41.0350 173.0605 78 H 4.1133 8.1519 116.5645 56.3904 26.4834 174.1349 79 L 4.7432 8.1422 118.9948 53.2861 45.8755 174.4766 80 S 4.7974 8.4335 118.3765 57.5965 63.2947 175.8120 81 C 4.0117 8.6082 125.4076 60.0197 35.6723 176.3094 82 S 3.7992 7.8294 114.0620 60.8500 61.7415 175.6051 83 K 4.2518 8.0281 119.9166 57.8866 31.8882 177.3424 84 L 4.6069 7.7544 118.7895 54.7619 41.6402 176.8828 85 L 4.8175 7.7712 117.6422 54.4307 42.0851 175.7806 86 D 4.8603 7.6799 119.1082 51.9147 41.5576 175.6707 87 D 4.5832 8.5059 116.9633 54.7261 41.0378 175.7841 88 N 4.8557 8.3068 119.4893 52.1057 39.9563 174.5443 89 I 5.1221 8.5151 119.9926 60.3904 38.0746 176.9957 90 A 3.9329 7.8747 124.8149 55.6727 18.2231 179.6964 91 D 4.4138 8.0304 116.6777 56.0399 39.7593 178.4833 92 D 4.3896 7.9161 120.4751 57.3208 40.8829 178.3957 93 V 3.3286 8.4774 118.8753 65.9755 31.4707 177.9370 94 A 3.8296 7.7828 120.4157 55.1834 18.1706 178.8397 95 C 4.2044 8.1699 116.8941 59.6492 37.8877 175.6557 96 A 3.8594 8.6662 123.4089 54.9808 17.5964 179.7750 97 K 3.8898 7.8603 116.7670 59.3355 32.2313 179.2546 98 R 4.0364 7.6114 118.8917 59.2070 30.0119 178.5675 99 V 2.1067 7.1848 118.0618 65.5150 31.0183 177.7222 100 V 3.8765 7.5515 109.0977 62.3423 31.2611 177.7638 101 R 4.2231 7.7046 118.0580 56.8155 30.6143 176.4339 102 D 4.7078 7.4237 119.1416 52.9605 41.7079 175.2832 103 P 4.2159 0.0000 0.0000 66.1486 31.3535 178.1243 104 Q 4.0570 8.1333 115.5167 56.0856 29.7513 177.1897 105 G 3.8339 8.0072 107.4095 46.3071 0.0000 174.3706 106 I 3.7128 7.8995 117.7189 63.7913 37.9456 178.5833 107 R 4.3031 7.3646 116.3103 57.3186 29.5614 177.3811 108 A 3.9266 7.5436 122.3777 54.0058 18.7045 178.6305 109 W 4.6834 8.2119 117.4267 55.5596 29.9184 177.4898 110 V 3.7572 8.6772 125.4065 64.9759 30.8586 178.0789 111 A 4.0869 8.1820 120.6853 54.5291 18.2404 179.4063 112 W 4.0554 8.4412 126.4067 60.8167 30.6929 178.1264 113 R 3.9270 8.1971 116.7366 59.4566 29.5364 178.4582 114 N 4.4815 7.9617 115.3670 55.1667 38.7526 176.1891 115 R 4.3644 7.6448 115.0250 55.7659 31.8191 174.9612 116 C 4.5123 8.3167 115.5324 58.1234 42.5238 174.2939 117 Q 3.1010 6.3377 118.1686 57.5849 28.4278 176.4938 118 N 4.2902 8.7741 120.3733 53.6588 36.2337 173.7581 119 R 4.5243 7.2770 116.8268 53.7269 32.7409 175.1955 120 D 4.4637 8.5102 119.0557 54.8087 41.4791 176.0279 121 V 4.7277 8.3430 118.7620 61.3393 32.7100 177.9119 122 R 4.1684 8.6444 123.1559 59.1320 30.4756 179.0040 123 Q 3.9469 8.3819 116.0023 59.4628 28.3277 178.4263 124 Y 4.2632 7.2354 113.8457 60.0445 38.2455 177.6771 125 V 4.3729 7.8033 110.4368 60.6435 32.8042 175.3136 126 Q 4.1312 8.0079 122.4105 57.2190 29.2620 175.9651 127 G 3.9437 8.7527 111.7212 46.8599 0.0000 174.6979 128 C 4.5678 8.0913 114.9569 55.7392 40.8353 174.3728 129 G 3.9072 8.0616 107.1307 46.5830 0.0000 174.2619 130 V 3.9501 7.8604 118.0866 61.0984 31.8089 176.0572 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 K 8.17 4.24 0.00 1.88 1.67 0.00 1.31 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.15 7.81 2 V 8.08 4.62 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 0.93 0.00 0.00 0.95 0.00 0.00 3 F 9.97 4.37 0.00 2.90 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 4 E 9.12 4.23 0.00 1.90 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 2.28 2.37 0.00 5 R 9.00 3.39 0.00 1.93 1.93 0.00 3.49 0.00 0.00 3.48 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 6 C 8.05 4.32 0.00 3.00 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 7 E 8.10 3.89 0.00 2.06 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 2.81 2.49 0.00 8 L 8.02 3.53 0.00 1.43 1.46 0.08 0.27 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 7.83 3.94 1.37 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 0.00 0.00 0.00 10 R 8.34 3.89 0.00 2.07 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 11 T 7.88 3.88 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 1.18 0.00 0.00 12 L 8.02 3.83 0.00 1.73 1.56 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.05 3.91 0.00 1.99 2.00 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.48 7.81 14 R 7.79 3.94 0.00 1.83 2.19 0.00 3.29 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 15 L 7.68 4.35 0.00 1.49 1.54 0.83 0.80 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 16 G 7.72 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 7.85 3.90 0.00 1.30 1.99 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 18 D 7.96 4.65 0.00 2.67 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 19 G 9.72 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 20 Y 8.16 4.11 0.00 3.30 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 21 R 9.10 3.31 0.00 1.91 1.87 0.00 3.15 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.39 0.00 22 G 8.54 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 23 I 7.50 4.05 1.80 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.45 -0.41 0.00 0.00 24 S 8.27 4.65 0.00 4.11 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 25 L 8.49 4.20 0.00 1.97 1.81 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.17 4.13 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.92 4.44 0.00 2.82 2.71 0.00 0.00 7.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 7.98 4.13 0.00 3.61 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 29 M 8.54 4.17 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.95 0.00 30 C 8.52 3.20 0.00 2.51 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.26 4.06 0.00 1.82 1.89 0.20 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.07 4.09 1.50 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 33 K 8.10 2.73 0.00 1.41 1.49 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 W 7.27 4.44 0.00 3.47 3.36 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 0.00 35 E 8.13 4.41 0.00 2.04 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 0.00 2.55 2.39 0.00 36 S 8.08 4.54 0.00 4.06 4.15 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 37 G 8.08 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.80 3.77 0.00 3.29 3.06 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 39 N 7.69 5.43 0.00 2.81 2.85 0.00 0.00 6.99 7.88 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 40 T 9.41 4.02 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 1.43 0.00 0.00 41 R 8.23 4.47 0.00 1.99 2.03 0.00 3.48 0.00 0.00 3.32 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 42 A 7.66 4.39 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 43 T 8.30 5.12 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 1.30 0.00 0.00 44 N 8.71 4.92 0.00 2.88 2.78 0.00 0.00 6.77 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.75 4.77 0.00 3.03 2.87 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 46 N 8.07 4.97 0.00 2.57 2.54 0.00 0.00 6.58 7.73 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 47 A 7.96 3.83 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 48 G 7.50 3.59 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 0.00 0.00 0.00 49 D 7.68 4.57 0.00 2.70 2.74 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 50 R 8.32 4.29 0.00 2.02 2.28 0.00 3.12 0.00 0.00 3.16 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 51 S 7.69 5.02 0.00 3.84 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 52 T 8.70 5.10 4.11 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 0.67 0.00 0.00 53 D 9.14 5.58 0.00 2.71 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 54 Y 9.08 4.81 0.00 2.95 2.89 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 55 G 8.88 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 0.00 0.00 0.00 0.00 56 I 8.21 3.97 1.70 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.45 0.16 0.00 0.00 57 F 7.89 4.77 0.00 3.18 2.88 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 58 Q 8.21 3.63 0.00 2.53 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.84 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 59 I 8.26 4.42 2.15 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 1.17 0.00 0.00 60 N 9.54 5.59 0.00 3.07 3.05 0.00 0.00 7.43 7.14 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 61 S 8.97 4.91 0.00 4.11 4.46 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 62 R 9.87 3.78 0.00 1.36 1.35 0.00 2.51 0.00 0.00 2.65 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 63 Y 7.96 4.14 0.00 1.95 1.76 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 64 W 8.24 4.93 0.00 3.56 3.23 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 65 C 8.34 5.63 0.00 3.15 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.75 5.19 0.00 2.87 2.69 0.00 0.00 7.14 8.65 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 67 D 8.92 4.73 0.00 2.82 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 68 G 9.16 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 0.00 0.00 0.00 69 K 8.40 4.46 0.00 1.90 1.91 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.68 7.81 70 T 7.75 4.51 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 1.16 0.00 0.00 71 P 0.00 4.29 0.00 2.18 2.18 0.00 3.85 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 72 G 8.73 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 0.00 0.00 0.00 73 A 7.38 4.11 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 74 V 8.40 3.89 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 0.69 0.00 0.00 0.90 0.00 0.00 75 N 8.03 4.17 0.00 3.00 2.82 0.00 0.00 7.07 7.91 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 76 A 8.07 3.94 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 77 C 8.66 4.49 0.00 3.32 3.23 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 78 H 8.15 4.11 0.00 3.31 3.35 0.00 5.63 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.14 4.74 0.00 1.68 1.46 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.43 4.80 0.00 3.88 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 81 C 8.61 4.01 0.00 2.11 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 82 S 7.83 3.80 0.00 3.83 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 83 K 8.03 4.25 0.00 1.91 2.00 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.52 7.81 84 L 7.75 4.61 0.00 1.81 1.80 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.77 4.82 0.00 1.82 1.73 1.13 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.68 4.86 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 87 D 8.51 4.58 0.00 2.67 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 88 N 8.31 4.86 0.00 2.69 2.72 0.00 0.00 7.06 8.05 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 89 I 8.52 5.12 1.78 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 1.48 1.07 0.86 0.00 0.00 90 A 7.87 3.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.03 4.41 0.00 2.93 2.94 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 92 D 7.92 4.39 0.00 3.05 2.95 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 93 V 8.48 3.33 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 0.76 0.00 0.00 0.93 0.00 0.00 94 A 7.78 3.83 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 95 C 8.17 4.20 0.00 3.06 3.26 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 96 A 8.67 3.86 0.77 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 0.00 0.00 97 K 7.86 3.89 0.00 1.55 1.46 0.00 1.26 0.00 0.00 0.77 0.00 0.00 2.19 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.91 7.81 98 R 7.61 4.04 0.00 1.92 2.02 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 99 V 7.18 2.11 0.73 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 -0.04 0.00 0.00 -0.27 0.00 0.00 100 V 7.55 3.88 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 1.01 0.00 0.00 1.37 0.00 0.00 101 R 7.70 4.22 0.00 1.99 2.02 0.00 3.21 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 102 D 7.42 4.71 0.00 3.10 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 0.00 103 P 0.00 4.22 0.00 2.04 2.13 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 104 Q 8.13 4.06 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.93 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 8.01 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 0.00 0.00 0.00 106 I 7.90 3.71 1.14 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.77 -0.51 0.00 0.00 107 R 7.36 4.30 0.00 2.00 2.06 0.00 3.30 0.00 0.00 3.39 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.69 0.00 108 A 7.54 3.93 0.74 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 0.00 0.00 109 W 8.21 4.68 0.00 3.59 3.36 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 0.00 110 V 8.68 3.76 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.99 0.00 0.00 111 A 8.18 4.09 1.59 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 0.00 0.00 112 W 8.44 4.06 0.00 3.44 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.20 3.93 0.00 2.16 2.03 0.00 3.30 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.12 0.00 114 N 7.96 4.48 0.00 2.64 2.75 0.00 0.00 6.83 7.48 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 0.00 115 R 7.64 4.36 0.00 1.32 1.31 0.00 2.65 0.00 0.00 2.89 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.00 116 C 8.32 4.51 0.00 1.37 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 6.34 3.10 0.00 0.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.16 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 118 N 8.77 4.29 0.00 2.82 2.90 0.00 0.00 6.99 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 0.00 119 R 7.28 4.52 0.00 1.90 1.81 0.00 3.21 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 120 D 8.51 4.46 0.00 2.65 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 0.00 121 V 8.34 4.73 2.33 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 1.02 0.00 0.00 1.04 0.00 0.00 122 R 8.64 4.17 0.00 2.01 2.02 0.00 3.17 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 123 Q 8.38 3.95 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.82 0.00 0.00 0.00 0.00 0.00 2.27 1.43 0.00 124 Y 7.24 4.26 0.00 3.18 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 0.00 125 V 7.80 4.37 2.14 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 0.92 0.00 0.00 1.09 0.00 0.00 126 Q 8.01 4.13 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 127 G 8.75 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.09 4.57 0.00 3.09 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 0.00 129 G 8.06 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 0.00 130 V 7.86 3.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.96 0.00 0.00