NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7046 8.4249 119.4557 52.9004 41.0293 174.2548 4 K 4.4689 7.7790 117.2485 53.8703 36.1480 173.8452 5 I 5.3114 9.3792 124.1523 59.6478 41.5556 173.8308 6 I 4.9586 9.2098 126.9855 59.2687 40.9974 173.3472 7 Y 5.0098 8.5263 130.0111 55.8950 41.3562 174.0240 8 F 5.0322 8.8260 126.7615 56.4505 41.0466 174.8730 9 L 5.3352 9.1690 125.0479 53.6774 45.6640 174.7462 10 C 4.9811 8.7734 124.3354 58.1431 35.8544 174.2916 11 T 3.9041 8.9325 116.1695 66.1577 69.3193 174.4120 12 G 5.1145 7.9205 108.1120 43.8283 0.0000 170.6782 13 N 5.7545 8.3731 112.1987 52.0766 39.1423 174.0558 14 S 4.7779 7.9709 115.6994 58.6731 65.8219 174.9182 15 C 4.8930 7.3441 114.2143 60.3418 31.5126 176.0361 16 R 3.9074 8.4156 119.7474 59.9712 30.3954 179.0529 17 S 4.0752 8.0502 113.2008 61.5294 63.0176 176.3226 18 Q 3.9970 7.9684 121.2033 58.9317 28.5002 178.2023 19 M 4.0397 8.3157 119.7163 58.0356 31.8776 178.6747 20 A 3.7810 8.0443 121.2990 54.8198 18.4065 179.2483 21 E 3.9294 7.9775 118.0068 59.3131 29.2918 179.3014 22 G 3.4775 7.9867 105.6651 47.6898 0.0000 175.7478 23 W 4.4247 8.4153 121.8349 59.3639 28.9706 178.5449 24 A 4.2292 8.5307 121.1305 55.2522 17.6687 179.8538 25 K 4.0395 8.0915 115.8111 58.9605 32.1013 179.0277 26 Q 4.1425 7.4845 118.3043 59.1373 29.2564 177.0793 27 Y 4.3301 8.3033 116.7078 59.3623 38.4078 176.0848 28 L 4.5708 7.9586 119.7583 53.3407 43.2035 177.0733 29 G 4.0823 8.5468 111.7667 44.6831 0.0000 173.5171 30 D 5.1405 8.3496 118.6897 53.4842 38.4560 174.3451 31 E 4.8270 8.1911 122.1004 55.9699 37.2142 174.1311 32 W 5.2560 8.3790 119.3599 54.7980 31.2480 175.6369 33 K 4.5357 9.3568 126.2381 54.8063 33.6527 174.7970 34 V 4.9059 8.3018 127.2541 61.5182 33.2604 174.2022 35 Y 5.0967 8.9330 124.5804 56.3909 42.1573 174.5480 36 S 5.0594 8.4318 114.4218 57.3414 66.5564 172.6288 37 A 4.6951 8.7948 122.5946 51.3636 23.3692 174.8573 38 G 4.9197 8.8256 105.4008 43.9660 0.0000 174.1832 39 I 4.0305 8.4959 120.5060 63.6183 37.7913 176.4350 40 E 4.8508 8.4617 119.2145 54.3483 34.1798 175.4688 41 A 4.5458 8.3394 123.3140 51.3768 20.9232 175.4832 42 H 4.8272 9.1781 118.6227 55.9580 29.2255 175.4244 43 G 4.0626 8.1334 105.4928 44.8642 0.0000 173.4207 44 L 4.1084 8.0132 119.1276 54.5393 42.4021 176.5538 45 N 4.7119 8.7304 122.1487 51.8679 39.8947 173.9529 46 P 4.2290 0.0000 0.0000 66.3898 31.0380 178.2896 47 N 4.1726 8.4689 115.9594 55.7662 38.2369 177.2963 48 A 4.1166 7.9925 121.8525 55.0627 18.6178 179.6410 49 V 3.5233 7.7559 116.7720 66.0849 31.6314 178.4617 50 K 3.9883 8.2396 117.9767 59.4033 30.7861 179.1005 51 A 4.1548 8.4923 121.2995 55.7040 18.3150 179.6827 52 M 4.1156 8.1730 117.0974 58.1449 31.9669 178.8076 53 K 4.0388 8.0934 121.2512 58.9104 32.0947 178.3815 54 E 4.0376 8.2191 118.6275 58.4622 29.4686 178.2276 55 V 4.3599 6.8312 110.7166 60.5840 32.0892 176.1059 56 G 3.8045 8.0260 105.8726 46.0899 0.0000 173.7371 57 I 4.1735 7.6621 120.2812 58.9217 39.4595 174.2663 58 D 4.6182 8.5992 125.5929 53.0081 41.3256 175.3379 59 I 4.3905 7.9694 119.4139 60.4544 38.0162 177.6188 60 S 4.1489 8.2925 117.4605 61.2971 62.7760 174.8107 61 N 4.6633 7.9097 115.9426 53.3674 38.9429 175.1834 62 Q 4.1571 7.6511 118.8515 55.8142 29.3680 176.0113 63 T 4.2998 8.1963 111.9184 60.6096 70.4734 174.2897 64 S 4.5524 8.4002 117.4910 57.2173 62.6809 172.8253 65 D 5.1591 8.3423 127.2969 52.5419 44.1781 175.7127 66 I 4.6496 8.2011 121.5967 60.0296 38.8180 175.5436 67 I 3.8551 8.0395 125.1424 61.9192 38.6484 174.8469 68 D 4.7885 9.1672 128.2517 51.8075 42.6559 176.4022 69 S 4.0065 8.5629 123.2007 61.4048 62.6680 175.9583 70 D 4.2784 8.2504 122.1624 56.9023 40.7668 178.3113 71 I 3.8415 7.3581 119.6420 63.7491 37.5916 177.5562 72 L 3.1993 7.3340 121.0892 58.0970 41.5698 178.7804 73 N 4.3232 7.9887 114.0276 55.1903 38.5376 175.1248 74 N 4.7237 7.7462 114.8999 52.9857 39.4611 174.5867 75 A 4.4049 7.4841 120.0232 52.7095 19.4583 177.6075 76 D 4.7933 9.0510 120.7179 57.1228 42.2237 176.6015 77 L 5.1806 7.8172 116.2131 54.5605 43.7619 174.4744 78 V 4.7721 8.7883 121.1036 59.8943 34.3042 174.5262 79 V 4.4033 8.4060 124.5646 61.0922 33.2461 174.4451 80 T 4.8034 8.4417 119.0646 61.1979 70.6105 175.1772 81 L 5.0781 8.5981 122.9387 54.6208 43.2318 175.5521 82 C 4.8993 7.8220 112.8647 55.9819 32.0529 174.9478 83 G 3.6728 8.6008 107.3754 48.0883 0.0000 175.4164 84 D 4.3398 8.1036 119.5404 57.1260 41.3531 178.0496 85 A 4.0355 8.0421 120.6743 55.0079 18.2217 179.2688 86 A 4.0076 7.8661 118.5914 55.4455 18.5184 179.2921 87 D 4.4450 7.9703 116.4546 57.1152 41.0519 178.3591 88 K 4.4112 7.7922 115.8210 55.5800 32.5716 176.5529 89 C 4.1777 7.5313 121.4813 58.3248 31.6901 171.5592 90 P 4.4372 0.0000 0.0000 62.1886 31.6547 175.5933 91 M 4.0204 8.4513 118.8303 56.2341 32.4517 175.4377 92 T 4.6636 7.9642 114.3377 58.6461 72.2236 171.9121 93 P 4.3579 0.0000 0.0000 61.8268 31.8857 175.9020 94 P 4.2474 0.0000 0.0000 65.9278 30.9960 177.1439 95 H 4.3734 8.0262 112.8073 57.0800 29.0253 175.1105 96 V 3.9438 7.3735 121.5932 61.9993 32.0769 175.7609 97 K 4.2278 8.9018 128.2292 56.3465 33.4060 176.3052 98 R 4.8501 8.5956 123.8467 54.8515 31.4327 175.1179 99 E 4.6864 8.8036 124.2888 54.6347 32.7263 175.2166 100 H 5.3090 8.6579 119.0677 53.0652 31.5313 173.0779 101 W 4.9971 9.0901 123.7646 55.0959 32.1804 175.7530 102 G 4.1345 7.7474 106.9712 45.1450 0.0000 172.4722 103 F 5.1099 8.8183 123.1921 55.4985 42.9635 174.8713 104 D 4.4857 8.9533 122.0794 54.2850 41.6165 176.0760 105 D 4.5945 8.5707 122.1562 52.6749 40.5192 175.2938 106 P 3.7627 0.0000 0.0000 64.9396 31.3785 178.3136 107 A 4.2413 7.9721 121.4680 53.8997 18.4367 178.0508 108 R 4.2894 7.4347 110.2881 55.6352 30.2925 176.7828 109 A 3.6844 6.9297 121.4810 52.4818 18.7071 176.8033 110 Q 4.6073 9.4385 120.9601 52.7926 31.1913 176.4014 111 G 3.9424 8.1734 108.4828 44.9968 0.0000 172.4369 112 T 4.1394 7.9971 110.2567 61.6069 70.6540 175.0458 113 E 4.1055 8.7491 121.6453 59.4688 29.5043 179.4850 114 E 4.1952 8.2134 117.5006 59.4317 29.8828 178.9250 115 E 4.0930 8.2443 119.1410 59.2030 29.6675 179.4734 116 K 4.1878 8.4010 118.6476 59.1658 32.1707 179.3063 117 W 4.6525 8.5717 128.6559 60.5501 30.6001 177.9637 118 A 4.1191 8.3479 122.1613 54.3978 17.6860 179.4180 119 F 3.7886 8.3525 119.3464 61.4303 39.4785 177.3724 120 F 4.0037 8.3132 117.1228 60.7270 38.3726 177.7371 121 Q 3.8154 7.6737 117.5292 58.6398 28.3597 178.7849 122 R 3.7707 8.0187 119.9684 59.4021 30.1052 178.7898 123 V 3.5261 7.8216 118.2082 65.7439 31.4897 177.8206 124 R 3.9901 8.0018 118.5734 59.7944 29.9469 178.3205 125 D 4.3646 8.1927 118.5141 57.2484 40.7643 178.6547 126 E 3.9105 8.2844 119.2657 59.4483 29.4554 179.4697 127 I 3.1957 7.6443 120.0350 63.8901 37.0659 178.7160 128 G 2.0000 7.2938 106.4485 47.1885 0.0000 175.3352 129 N 4.0505 7.7211 119.7081 55.9869 38.8757 176.9765 130 R 3.5864 7.6128 120.3878 59.0675 30.0466 178.4807 131 L 4.0895 7.7344 118.9519 57.2843 41.5821 179.3477 132 K 2.8298 7.2049 119.7882 58.9042 31.9494 178.4449 133 E 3.7518 7.6467 119.1331 59.1915 29.5735 178.5196 134 F 4.0778 8.1208 120.3913 61.3542 39.2664 176.9106 135 A 4.0111 8.1424 119.5410 54.9853 18.1691 178.9575 136 E 4.1434 7.8815 116.2959 58.4182 29.9497 178.1778 137 T 4.4055 8.0229 107.5991 60.6020 70.2570 175.7410 138 G 3.2566 8.0977 111.7145 44.9971 0.0000 174.3622 139 K 4.3044 7.7763 126.1479 55.0256 32.1635 179.4426 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 3 N 8.42 4.70 0.00 2.67 2.92 0.00 0.00 6.79 5.80 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 4 K 7.78 4.47 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.69 0.00 0.00 2.73 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.79 0.93 7.81 5 I 9.38 5.31 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.79 1.27 0.00 0.00 6 I 9.21 4.96 1.83 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.96 0.92 0.00 0.00 7 Y 8.53 5.01 0.00 3.02 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.83 5.03 0.00 2.94 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 9 L 9.17 5.34 0.00 1.90 1.54 1.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.77 4.98 0.00 3.10 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 11 T 8.93 3.90 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 1.26 0.00 0.00 12 G 7.92 5.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.37 5.75 0.00 2.71 2.71 0.00 0.00 7.14 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 14 S 7.97 4.78 0.00 3.94 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 15 C 7.34 4.89 0.00 3.02 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 16 R 8.42 3.91 0.00 1.91 2.04 0.00 3.31 0.00 0.00 3.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 17 S 8.05 4.08 0.00 4.06 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 18 Q 7.97 4.00 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 19 M 8.32 4.04 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 20 A 8.04 3.78 0.59 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 21 E 7.98 3.93 0.00 2.15 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 0.00 2.30 2.37 0.00 22 G 7.99 3.48 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 0.00 0.00 0.00 0.00 23 W 8.42 4.42 0.00 3.43 3.28 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 24 A 8.53 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.09 4.04 0.00 1.77 1.91 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.69 7.81 26 Q 7.48 4.14 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 27 Y 8.30 4.33 0.00 3.25 3.02 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 28 L 7.96 4.57 0.00 1.81 1.66 0.51 0.73 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 29 G 8.55 4.08 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 0.00 0.00 0.00 30 D 8.35 5.14 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.19 4.83 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 1.97 2.21 0.00 32 W 8.38 5.26 0.00 3.32 3.21 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 33 K 9.36 4.54 0.00 1.87 1.77 0.00 1.26 0.00 0.00 1.48 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 0.94 7.81 34 V 8.30 4.91 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 1.08 0.00 0.00 1.06 0.00 0.00 35 Y 8.93 5.10 0.00 2.70 2.38 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 0.00 36 S 8.43 5.06 0.00 3.91 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 37 A 8.79 4.70 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 38 G 8.83 4.92 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 39 I 8.50 4.03 2.03 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 1.56 0.87 0.93 0.00 0.00 40 E 8.46 4.85 0.00 1.88 1.63 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 2.21 2.24 0.00 41 A 8.34 4.55 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 42 H 9.18 4.83 0.00 3.16 3.28 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.13 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.01 4.11 0.00 1.65 1.62 1.03 1.02 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 45 N 8.73 4.71 0.00 2.85 2.88 0.00 0.00 6.77 7.78 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 46 P 0.00 4.23 0.00 2.21 2.26 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 47 N 8.47 4.17 0.00 1.71 1.49 0.00 0.00 6.89 7.65 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 48 A 7.99 4.12 1.48 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 0.00 0.00 0.00 49 V 7.76 3.52 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 0.99 0.00 0.00 1.00 0.00 0.00 50 K 8.24 3.99 0.00 2.10 1.87 0.00 1.45 0.00 0.00 1.35 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.63 7.81 51 A 8.49 4.15 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 52 M 8.17 4.12 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.75 0.00 53 K 8.09 4.04 0.00 1.91 2.02 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 E 8.22 4.04 0.00 2.31 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 0.00 2.39 2.45 0.00 55 V 6.83 4.36 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 0.89 0.00 0.00 0.62 0.00 0.00 56 G 8.03 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 0.00 0.00 0.00 57 I 7.66 4.17 1.45 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 0.87 0.87 0.64 0.00 0.00 58 D 8.60 4.62 0.00 2.55 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 59 I 7.97 4.39 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.78 0.00 0.00 60 S 8.29 4.15 0.00 3.99 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 61 N 7.91 4.66 0.00 2.71 2.88 0.00 0.00 6.95 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 62 Q 7.65 4.16 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.27 0.00 63 T 8.20 4.30 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 1.22 0.00 0.00 64 S 8.40 4.55 0.00 3.86 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 65 D 8.34 5.16 0.00 2.63 2.55 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 66 I 8.20 4.65 1.89 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 1.23 0.51 0.93 0.00 0.00 67 I 8.04 3.86 1.96 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 0.80 0.94 0.00 0.00 68 D 9.17 4.79 0.00 2.70 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 69 S 8.56 4.01 0.00 4.00 4.04 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 0.00 0.00 0.00 0.00 70 D 8.25 4.28 0.00 2.72 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 71 I 7.36 3.84 1.82 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.15 0.00 0.00 72 L 7.33 3.20 0.00 0.71 1.32 0.43 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 73 N 7.99 4.32 0.00 2.75 2.81 0.00 0.00 6.93 7.52 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 74 N 7.75 4.72 0.00 2.64 2.90 0.00 0.00 7.13 7.25 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 75 A 7.48 4.40 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 76 D 9.05 4.79 0.00 3.02 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 77 L 7.82 5.18 0.00 1.80 1.82 0.87 0.82 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 78 V 8.79 4.77 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 0.68 0.00 0.00 0.95 0.00 0.00 79 V 8.41 4.40 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 80 T 8.44 4.80 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 1.23 0.00 0.00 81 L 8.60 5.08 0.00 1.79 2.03 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 82 C 7.82 4.90 0.00 3.10 3.07 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 0.00 0.00 0.00 83 G 8.60 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.10 4.34 0.00 2.82 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 85 A 8.04 4.04 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 86 A 7.87 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.97 4.45 0.00 2.86 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 88 K 7.79 4.41 0.00 1.76 1.86 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.53 7.81 89 C 7.53 4.18 0.00 3.14 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 90 P 0.00 4.44 0.00 2.17 2.02 0.00 3.81 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 1.92 1.91 0.00 91 M 8.45 4.02 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 92 T 7.96 4.66 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 1.16 0.00 0.00 93 P 0.00 4.36 0.00 2.01 2.00 0.00 3.47 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.03 0.00 94 P 0.00 4.25 0.00 2.17 2.20 0.00 3.75 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 2.01 1.98 0.00 95 H 8.03 4.37 0.00 3.24 3.48 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.37 3.94 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 0.68 0.00 0.00 0.77 0.00 0.00 97 K 8.90 4.23 0.00 1.81 1.74 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.56 7.81 98 R 8.60 4.85 0.00 1.64 1.79 0.00 3.14 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 99 E 8.80 4.69 0.00 1.60 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 100 H 8.66 5.31 0.00 3.01 3.23 0.00 5.91 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 9.09 5.00 0.00 3.30 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 0.00 102 G 7.75 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 0.00 103 F 8.82 5.11 0.00 3.01 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 0.00 104 D 8.95 4.49 0.00 2.96 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 0.00 105 D 8.57 4.59 0.00 2.69 2.55 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 0.00 106 P 0.00 3.76 0.00 0.49 1.95 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 107 A 7.97 4.24 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.43 4.29 0.00 1.90 2.00 0.00 3.06 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.43 0.00 109 A 6.93 3.68 0.47 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 0.00 110 Q 9.44 4.61 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 111 G 8.17 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 0.00 0.00 0.00 112 T 8.00 4.14 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 1.24 0.00 0.00 113 E 8.75 4.11 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 2.43 2.33 0.00 114 E 8.21 4.20 0.00 2.27 2.29 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 2.44 2.41 0.00 115 E 8.24 4.09 0.00 2.33 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 0.00 2.40 2.42 0.00 116 K 8.40 4.19 0.00 1.99 2.05 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.75 7.81 117 W 8.57 4.65 0.00 3.45 3.29 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 0.00 118 A 8.35 4.12 1.44 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 0.00 119 F 8.35 3.79 0.00 3.33 3.07 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 0.00 0.00 0.00 120 F 8.31 4.00 0.00 3.24 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 0.00 121 Q 7.67 3.82 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 1.71 1.22 0.00 122 R 8.02 3.77 0.00 1.85 1.73 0.00 3.03 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 123 V 7.82 3.53 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.05 0.00 0.00 124 R 8.00 3.99 0.00 2.09 2.19 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.86 0.00 125 D 8.19 4.36 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.28 3.91 0.00 2.21 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 0.00 2.31 2.48 0.00 127 I 7.64 3.20 1.77 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.71 0.00 0.00 128 G 7.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 7.72 4.05 0.00 2.76 2.63 0.00 0.00 6.91 7.27 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 0.00 130 R 7.61 3.59 0.00 1.93 1.81 0.00 2.63 0.00 0.00 2.66 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 131 L 7.73 4.09 0.00 1.75 1.51 1.18 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.20 2.83 0.00 1.23 1.62 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.28 7.81 133 E 7.65 3.75 0.00 1.92 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 2.22 2.21 0.00 134 F 8.12 4.08 0.00 3.36 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 0.00 135 A 8.14 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 7.88 4.14 0.00 1.91 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 2.29 2.50 0.00 137 T 8.02 4.41 4.20 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 1.19 0.00 0.00 138 G 8.10 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 0.00 0.00 0.00 139 K 7.78 4.30 0.00 1.88 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.23 7.81