NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7618 8.4449 117.8338 56.2685 29.9840 172.8668 1D H 4.6719 8.7058 118.7687 55.5598 29.5030 172.6864 1E H 5.0945 7.5602 115.8162 53.6922 33.5723 172.0031 1F H 4.6506 8.9071 116.9881 55.9145 29.0280 174.3312 1G F 4.8693 8.3956 119.5125 57.8215 39.8592 174.1411 2 N 4.6622 8.4848 117.2202 52.3246 39.1823 174.6019 3 L 4.8047 8.0643 123.1610 51.9384 44.2164 174.6316 4 P 4.4753 0.0000 0.0000 61.7094 32.2420 174.7224 5 P 4.4124 0.0000 0.0000 62.2667 33.1883 176.6021 6 G 4.0752 9.0386 102.1727 46.1869 0.0000 172.4221 7 N 4.2446 7.8446 114.6188 51.8361 39.8623 174.3064 8 Y 4.8926 7.9455 117.3527 58.2725 38.5244 176.7680 9 K 4.1115 8.6225 122.5525 58.7400 32.2376 177.1253 10 K 4.7418 7.6120 115.2008 53.3096 35.7216 173.6783 11 P 4.8545 0.0000 0.0000 63.1634 32.5643 174.9021 12 K 4.7098 9.1660 119.3251 56.2641 36.7220 174.1490 13 L 4.9134 9.2752 120.1615 53.2499 44.2144 176.3245 14 L 4.9249 8.6312 122.7898 53.5559 43.0060 174.6293 15 Y 4.7597 9.2483 127.2938 56.5161 40.4207 173.7897 16 C 4.1184 8.5558 128.8778 57.9735 32.0596 174.4044 17 S 3.8542 8.1052 122.1953 61.1940 62.6608 175.4497 18 N 4.1588 8.0574 118.8416 56.1625 38.5951 175.4059 19 G 3.8635 7.5908 102.2940 44.6527 0.0000 173.4223 20 G 3.4581 7.8223 107.3913 43.3423 0.0000 173.4857 21 H 4.5953 7.2245 116.3928 54.8452 30.7942 174.1840 22 F 5.1963 8.8322 120.8359 56.1204 40.4163 175.2379 23 L 4.4920 9.0605 126.1307 55.4706 43.2214 175.6604 24 R 4.9271 9.4479 126.0226 54.6085 33.7751 174.0175 25 I 4.7185 8.3306 126.3319 59.3595 39.0786 175.6901 26 L 4.0730 9.0137 128.1328 53.4501 42.2891 176.8524 27 P 4.2335 0.0000 0.0000 65.8685 31.2729 177.8339 28 A 4.0430 7.8021 118.6353 53.3899 18.6388 177.9777 29 G 4.3268 8.6609 105.2579 44.9615 0.0000 173.7875 30 T 4.4343 7.6537 116.6393 62.9610 69.3524 173.5754 31 V 4.8855 7.9395 124.2483 61.2507 34.3585 174.5843 32 D 4.5803 8.4048 125.0049 53.1021 42.7906 174.1990 33 G 4.5503 8.8512 104.9600 45.4596 0.0000 172.2851 34 T 4.9850 8.8216 114.5971 60.5230 71.1038 174.6095 35 R 4.3006 8.8459 124.4570 56.5368 30.9339 176.3433 36 D 4.6500 8.3836 119.6673 53.2377 40.2049 176.9315 37 R 3.6993 8.5790 126.8557 58.3592 30.2205 178.1900 38 S 4.3128 8.5444 111.6223 58.7712 63.6472 174.1800 39 D 4.3320 7.6920 121.8918 55.1000 41.1453 175.9191 40 Q 4.4071 8.4547 123.1769 56.1867 29.3084 175.7760 41 H 4.9118 9.0005 116.1496 55.4434 29.0043 175.5994 42 I 4.5937 7.4390 111.2946 59.9021 38.4606 175.2857 43 Q 4.2177 7.8839 121.9235 55.8075 29.6744 174.8041 44 L 4.9914 8.8964 124.3536 52.7939 45.5433 175.3281 45 Q 4.8582 9.1342 124.4306 54.4640 30.8822 174.5939 46 L 5.4977 8.8415 126.4113 53.4656 43.6006 176.1756 47 S 4.5482 8.0631 114.0422 56.9869 66.4692 172.7832 48 A 4.5199 8.4332 123.2350 52.6269 20.0086 175.2390 49 E 4.0760 8.9893 120.5845 56.3427 30.2043 178.0254 50 S 4.6436 5.8100 113.9638 56.5032 65.5164 173.7762 51 V 3.8171 8.2228 121.2921 64.8534 31.4844 176.3016 52 G 3.9327 9.1551 114.2117 45.4295 0.0000 171.9426 53 E 5.1328 8.2420 119.7846 54.5874 32.2294 175.6182 54 V 4.8886 9.0372 116.2620 59.9102 36.6716 173.9875 55 Y 5.2110 8.8761 119.9295 56.5303 41.1796 175.2759 56 I 4.3911 8.5849 122.1921 59.6377 40.3510 174.0821 57 K 4.6278 8.8104 129.3744 54.0379 35.0328 175.0963 58 S 4.5897 8.7036 123.1384 58.4906 62.6309 174.9513 59 T 3.8345 8.6400 118.5841 64.6127 68.8256 176.0197 60 E 4.0367 8.3683 122.6433 58.7387 29.8559 177.1737 61 T 4.2650 8.0370 106.2515 60.9152 70.0026 175.6878 62 G 3.8046 8.1913 109.8974 45.2488 0.0000 173.6996 63 Q 4.4135 7.5042 119.0077 56.0018 30.2527 174.5611 64 Y 4.9084 8.8521 119.3721 55.9746 40.6875 175.2432 65 L 4.3691 8.9048 125.7414 55.3679 43.4349 175.6038 66 A 5.0750 8.6282 125.8515 50.6769 23.1696 174.3874 67 M 5.3002 8.7135 119.6886 53.9915 34.9239 175.7050 68 D 5.2867 9.5135 126.3208 51.8574 41.7370 176.6847 69 T 4.2936 8.5139 107.8326 63.9515 68.9453 174.5374 70 D 4.6242 8.3925 120.8402 54.1924 41.4844 177.0521 71 G 3.0836 8.3757 108.4381 44.9969 0.0000 172.8169 72 L 4.7429 7.8721 119.9288 52.8683 43.1234 176.1881 73 L 5.0920 8.3274 122.8511 55.3362 42.7927 175.4752 74 Y 4.8995 8.8520 118.8741 56.2934 41.9345 173.2540 75 G 4.1991 8.9817 108.6880 45.2714 0.0000 173.3368 76 S 4.9774 9.3775 121.6711 57.0174 63.7907 175.3267 77 Q 4.3003 9.0243 125.1127 58.1071 28.9551 176.3624 78 T 4.7368 7.6540 106.4623 59.0754 71.7022 172.7019 79 P 3.8559 0.0000 0.0000 60.9945 30.0910 174.9792 80 N 5.0368 7.5142 125.0632 51.8117 40.2006 175.8722 81 E 3.9024 8.7119 114.6697 59.7173 29.5033 177.5292 82 E 4.1359 8.8579 118.2477 57.8146 29.7458 177.0863 83 C 5.0900 7.8750 115.5647 58.7376 29.3014 173.4392 84 L 4.3755 7.2877 120.4371 53.3224 43.1814 175.5484 85 F 5.1356 8.9270 121.8160 55.5160 43.4666 174.3818 86 L 4.8239 9.1846 122.7487 53.9766 42.5994 175.4377 87 E 4.6169 8.8980 126.8131 55.0727 30.3666 175.6286 88 R 4.8219 8.5500 125.3380 53.9899 34.6908 174.7486 89 L 4.6611 8.6886 124.2959 55.3919 43.1935 175.8457 90 E 4.6952 9.1218 124.4595 55.3599 33.6262 174.8219 91 E 3.9193 9.7904 123.6184 57.5502 27.3386 174.2063 92 N 4.3019 8.4317 110.8847 54.1401 36.4752 173.9385 93 H 4.7874 8.3619 117.4838 57.4953 37.8928 173.5608 94 Y 4.6842 7.6759 116.1824 57.5749 39.9752 173.5876 95 N 5.5711 9.6294 118.1426 51.9531 41.4048 174.5352 96 T 5.2322 8.7108 112.0766 60.1756 73.0721 172.6035 97 Y 4.9611 8.6284 119.1917 56.6079 41.3772 174.2036 98 I 4.5299 8.5251 126.0442 59.1414 39.6655 175.4825 99 S 3.9460 9.0786 122.0589 58.7539 62.9652 174.9114 100 K 3.9030 8.7358 129.3160 59.3772 32.2814 178.6282 101 K 3.7734 7.9361 118.1958 59.1108 32.2528 176.7316 102 H 4.8497 8.2676 114.7833 54.1956 29.5370 176.4807 103 A 4.0941 8.0527 124.8542 54.5686 18.1092 180.6399 104 E 3.9646 8.0355 112.9546 58.3675 29.8993 178.1408 105 K 4.0507 7.6064 117.5672 55.5881 32.7383 175.8277 106 N 3.9499 7.5038 115.8214 53.9316 36.6119 174.6324 107 W 5.0183 7.7232 117.3222 55.8107 30.9772 177.1449 108 F 5.4721 9.1108 123.8518 55.4519 41.2082 175.7224 109 V 3.9212 8.9062 122.0630 63.0817 32.5021 175.2542 110 G 4.4951 8.5941 112.7963 45.3274 0.0000 171.4167 111 L 5.2767 8.6103 120.7577 52.5590 45.4678 177.2771 112 K 4.1654 8.9031 123.1704 55.2838 33.1296 178.3404 113 K 3.9985 8.3639 119.1355 59.4011 31.9267 178.0901 114 N 4.5194 8.0276 113.7600 52.9445 37.7069 175.9191 115 G 3.5161 8.0043 109.0606 45.1884 0.0000 173.9009 116 S 4.6686 8.5928 115.2926 57.4272 64.2549 173.3352 117 C 4.8009 8.2137 116.6458 58.0718 30.4718 173.3618 118 K 4.3427 8.8865 120.6887 56.2499 33.0680 176.6917 119 R 4.2877 8.3373 121.1990 55.0101 31.7395 177.5802 120 G 3.2838 8.8701 113.4395 48.2591 0.0000 174.1953 121 P 4.3627 0.0000 0.0000 64.5288 31.3865 177.2904 122 R 4.4684 7.8252 115.6454 55.9276 30.2232 176.0024 123 T 5.2308 7.5771 108.2051 59.7841 71.0280 173.3395 124 H 4.7958 7.9701 115.1472 54.8423 30.6564 172.9623 125 Y 3.9789 8.7417 118.5297 60.0865 38.1245 176.8962 126 G 4.1103 9.0107 111.1364 45.6566 0.0000 174.1650 127 Q 4.1628 7.4595 118.7710 55.4156 29.7350 177.1417 128 K 3.8706 8.2930 119.1487 58.4305 32.8593 179.3482 129 A 4.0013 8.0119 121.1283 53.8182 18.3729 178.4525 130 I 4.4901 7.1816 106.2073 60.4165 38.6062 175.3061 131 L 4.3769 7.2676 123.0826 53.9951 42.6671 175.8276 132 F 5.4439 9.4057 122.3513 55.4845 43.4995 173.9065 133 L 5.3033 9.2308 122.8704 52.6545 45.0612 173.5997 134 P 5.0641 0.0000 0.0000 62.8499 32.0779 175.5132 135 L 5.0161 9.3419 125.6016 51.7096 44.6774 174.6177 136 P 4.6499 0.0000 0.0000 62.9411 32.3254 176.7315 137 V 3.7907 8.1547 112.9989 61.7847 31.6496 176.3049 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 1C H 8.44 4.76 0.00 3.11 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.71 4.67 0.00 3.18 3.21 0.00 5.64 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 1E H 7.56 5.09 0.00 3.14 3.30 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.91 4.65 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.40 4.87 0.00 2.90 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 2 N 8.48 4.66 0.00 2.95 2.78 0.00 0.00 6.85 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 3 L 8.06 4.80 0.00 1.47 1.40 0.57 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.48 0.00 2.17 2.16 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 5 P 0.00 4.41 0.00 2.17 2.11 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 6 G 9.04 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 7 N 7.84 4.24 0.00 2.52 2.59 0.00 0.00 5.91 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 8 Y 7.95 4.89 0.00 3.05 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 9 K 8.62 4.11 0.00 1.80 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.56 7.81 10 K 7.61 4.74 0.00 1.71 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 P 0.00 4.85 0.00 2.06 2.05 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 12 K 9.17 4.71 0.00 2.00 1.95 0.00 1.36 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.51 7.81 13 L 9.28 4.91 0.00 1.72 1.76 0.42 0.65 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 14 L 8.63 4.92 0.00 1.60 1.67 0.38 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.25 4.76 0.00 3.25 3.14 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 16 C 8.56 4.12 0.00 2.44 2.42 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 17 S 8.11 3.85 0.00 3.87 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 18 N 8.06 4.16 0.00 2.52 2.64 0.00 0.00 6.72 7.98 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 19 G 7.59 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.82 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.22 4.60 0.00 3.02 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.83 5.20 0.00 3.05 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 23 L 9.06 4.49 0.00 1.85 1.55 0.96 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.45 4.93 0.00 1.90 2.04 0.00 3.20 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 25 I 8.33 4.72 1.83 0.00 0.00 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 1.17 0.74 0.88 0.00 0.00 26 L 9.01 4.07 0.00 1.73 1.51 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.23 0.00 1.99 2.11 0.00 3.52 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 28 A 7.80 4.04 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 29 G 8.66 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.65 4.43 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 V 7.94 4.89 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 0.84 0.00 0.00 0.94 0.00 0.00 32 D 8.40 4.58 0.00 2.85 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 33 G 8.85 4.55 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 0.00 34 T 8.82 4.98 4.32 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 1.36 0.00 0.00 35 R 8.85 4.30 0.00 1.88 1.99 0.00 3.20 0.00 0.00 3.08 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 36 D 8.38 4.65 0.00 2.81 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 37 R 8.58 3.70 0.00 1.81 1.82 0.00 3.39 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.77 0.00 38 S 8.54 4.31 0.00 3.91 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 39 D 7.69 4.33 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 40 Q 8.45 4.41 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.17 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 41 H 9.00 4.91 0.00 3.34 3.45 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.44 4.59 1.90 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.94 1.05 0.00 0.00 43 Q 7.88 4.22 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 44 L 8.90 4.99 0.00 1.51 1.43 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.13 4.86 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 46 L 8.84 5.50 0.00 1.70 1.31 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.06 4.55 0.00 3.89 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 48 A 8.43 4.52 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 49 E 8.99 4.08 0.00 1.69 1.71 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 2.16 2.28 0.00 50 S 5.81 4.64 0.00 4.05 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 51 V 8.22 3.82 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.04 0.00 0.00 52 G 9.16 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 0.00 0.00 0.00 53 E 8.24 5.13 0.00 1.94 1.70 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 2.21 2.28 0.00 54 V 9.04 4.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 1.16 0.00 0.00 55 Y 8.88 5.21 0.00 2.96 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 56 I 8.58 4.39 1.72 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.72 0.66 0.00 0.00 57 K 8.81 4.63 0.00 1.38 1.50 0.00 1.21 0.00 0.00 1.18 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.89 0.28 7.81 58 S 8.70 4.59 0.00 3.85 3.62 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 59 T 8.64 3.83 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 1.17 0.00 0.00 60 E 8.37 4.04 0.00 2.00 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 2.16 2.36 0.00 61 T 8.04 4.27 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 62 G 8.19 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 63 Q 7.50 4.41 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 64 Y 8.85 4.91 0.00 2.90 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 65 L 8.90 4.37 0.00 1.62 1.46 0.80 0.14 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 66 A 8.63 5.07 0.50 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 67 M 8.71 5.30 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 68 D 9.51 5.29 0.00 2.97 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 69 T 8.51 4.29 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 70 D 8.39 4.62 0.00 2.80 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 71 G 8.38 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 0.00 0.00 0.00 72 L 7.87 4.74 0.00 2.03 1.61 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.33 5.09 0.00 1.57 1.62 0.89 0.86 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 74 Y 8.85 4.90 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 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 0.00 0.00 0.00 0.00 76 S 9.38 4.98 0.00 3.60 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.02 4.30 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.65 4.74 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 1.22 0.00 0.00 79 P 0.00 3.86 0.00 0.66 0.49 0.00 3.47 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 0.00 80 N 7.51 5.04 0.00 2.95 2.98 0.00 0.00 5.86 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 81 E 8.71 3.90 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 82 E 8.86 4.14 0.00 2.21 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 2.39 2.46 0.00 83 C 7.88 5.09 0.00 3.13 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 84 L 7.29 4.38 0.00 1.32 1.28 0.77 0.07 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 F 8.93 5.14 0.00 3.12 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 86 L 9.18 4.82 0.00 1.51 1.58 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.90 4.62 0.00 2.13 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 0.00 2.19 1.90 0.00 88 R 8.55 4.82 0.00 1.77 1.80 0.00 3.19 0.00 0.00 2.88 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 89 L 8.69 4.66 0.00 1.73 1.70 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.12 4.70 0.00 2.23 1.87 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 2.31 2.45 0.00 91 E 9.79 3.92 0.00 2.39 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 92 N 8.43 4.30 0.00 2.84 2.89 0.00 0.00 6.87 8.16 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 93 H 8.36 4.79 0.00 2.86 2.90 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.68 4.68 0.00 3.03 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 95 N 9.63 5.57 0.00 3.02 2.54 0.00 0.00 6.95 7.04 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 96 T 8.71 5.23 4.54 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 1.37 0.00 0.00 97 Y 8.63 4.96 0.00 2.72 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 98 I 8.53 4.53 1.67 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.48 0.61 0.00 0.00 99 S 9.08 3.95 0.00 4.08 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 0.00 100 K 8.74 3.90 0.00 1.68 1.66 0.00 1.71 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.30 7.81 101 K 7.94 3.77 0.00 1.76 1.65 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.04 1.32 7.81 102 H 8.27 4.85 0.00 3.24 2.57 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.05 4.09 1.38 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 0.00 0.00 104 E 8.04 3.96 0.00 1.88 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 2.17 2.13 0.00 105 K 7.61 4.05 0.00 0.83 0.91 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.98 0.90 7.81 106 N 7.50 3.95 0.00 3.01 3.06 0.00 0.00 6.89 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 0.00 107 W 7.72 5.02 0.00 3.27 2.96 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 0.00 108 F 9.11 5.47 0.00 2.86 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 0.00 109 V 8.91 3.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.45 0.00 0.00 110 G 8.59 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 0.00 111 L 8.61 5.28 0.00 1.44 1.43 1.01 0.85 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 0.00 112 K 8.90 4.17 0.00 1.90 1.68 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.50 7.81 113 K 8.36 4.00 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.47 7.81 114 N 8.03 4.52 0.00 2.78 2.89 0.00 0.00 6.20 7.00 0.00 0.00 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 G 8.00 3.52 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 0.00 0.00 0.00 116 S 8.59 4.67 0.00 3.93 3.98 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 0.00 117 C 8.21 4.80 0.00 3.00 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 0.00 118 K 8.89 4.34 0.00 1.71 1.74 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.37 7.81 119 R 8.34 4.29 0.00 1.64 1.61 0.00 3.06 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 120 G 8.87 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 0.00 0.00 0.00 121 P 0.00 4.36 0.00 1.97 2.22 0.00 3.14 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 122 R 7.83 4.47 0.00 1.87 1.93 0.00 3.30 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 123 T 7.58 5.23 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 1.40 0.00 0.00 124 H 7.97 4.80 0.00 3.45 3.52 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.74 3.98 0.00 3.15 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 0.00 126 G 9.01 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 0.00 0.00 0.00 0.00 127 Q 7.46 4.16 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.72 0.00 0.00 0.00 0.00 0.00 2.15 1.93 0.00 128 K 8.29 3.87 0.00 1.74 1.64 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.27 7.81 129 A 8.01 4.00 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 0.00 130 I 7.18 4.49 1.69 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.86 0.54 0.00 0.00 131 L 7.27 4.38 0.00 1.09 0.54 0.45 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.41 5.44 0.00 3.37 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 0.00 133 L 9.23 5.30 0.00 2.09 1.76 0.80 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.06 0.00 2.22 2.23 0.00 3.89 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 135 L 9.34 5.02 0.00 1.70 1.64 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.65 0.00 2.07 2.06 0.00 3.78 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 1.99 2.00 0.00 137 V 8.15 3.79 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 0.70 0.00 0.00 0.92 0.00 0.00