NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1436 8.0501 120.3359 61.4137 32.6936 174.7786 3 A 4.0987 8.6305 128.0342 50.1606 19.2481 171.8559 4 V 2.1491 8.8789 123.5268 61.7681 33.1092 172.4632 5 P 4.1752 0.0000 0.0000 63.0044 31.7653 174.7728 6 E 4.3402 8.7309 122.6512 56.7449 30.2122 176.6319 7 G 3.8840 9.0827 113.7969 46.3561 0.0000 173.5606 8 Y 4.3691 8.0278 116.4226 57.5962 38.6075 177.1615 9 E 3.8814 8.1857 120.8619 58.9897 29.5260 178.2782 10 S 4.1959 8.1815 114.0894 61.7089 62.1507 176.5159 11 L 4.0571 8.0131 122.2883 57.5144 41.1499 179.1722 12 L 4.4023 7.6254 117.5202 56.8400 41.6795 178.3548 13 E 4.3508 7.7727 117.0558 56.6133 30.0219 176.7536 14 R 4.3305 6.8512 117.5232 54.3201 31.8722 175.4327 15 P 3.4355 0.0000 0.0000 61.3289 29.7248 175.3655 16 L 4.9061 6.9758 120.9463 53.5161 44.7305 176.3550 17 Y 4.4972 8.8907 119.0863 58.2787 38.6335 175.3798 18 G 4.3929 9.3472 110.4122 45.0066 0.0000 172.5820 19 H 4.9817 9.3475 122.7777 54.3134 29.7946 174.2475 20 L 4.6832 8.8436 127.1428 53.5091 43.6129 174.8923 21 A 5.3192 9.2947 129.1959 50.6257 21.4966 175.5784 22 T 4.8910 8.8895 111.1956 59.8687 73.1454 172.5759 23 V 4.7287 8.0573 120.6338 60.9840 33.9422 175.5716 24 R 4.5581 8.8891 126.2239 54.5935 30.7098 175.8958 25 P 4.2031 0.0000 0.0000 65.6617 31.3275 177.2572 26 D 4.4755 8.0292 114.9931 53.5427 39.6280 177.0663 27 G 3.9105 8.5117 109.1182 45.5738 0.0000 173.3266 28 T 4.7143 7.9918 110.3129 59.3010 71.3073 172.5751 29 P 5.0943 0.0000 0.0000 62.3961 33.2385 174.7481 30 Q 4.7728 8.9497 121.3291 54.4254 32.6247 174.2558 31 V 5.0367 8.2190 123.5855 60.4517 34.6679 173.9044 32 N 5.1206 8.9576 119.7391 51.4116 43.0758 174.1423 33 A 4.3710 8.4668 124.0901 51.5604 19.5411 176.8481 *35 W 4.3740 8.3113 118.2952 56.5578 30.1124 174.9177 36 F 5.2649 8.5937 114.9820 55.3047 41.0292 173.4912 37 A 4.8942 9.0878 120.7924 49.8757 22.1111 174.8808 38 W 5.5067 9.0548 131.0825 55.5430 33.1701 174.6906 39 D 4.5450 8.2446 125.0953 52.9007 39.0910 177.2662 40 G 3.6387 6.0218 108.7573 44.6499 0.0000 174.2286 41 E 4.3206 6.8864 115.1859 57.1290 32.5220 176.0536 42 V 4.9011 7.9436 110.4109 59.5035 36.3288 174.8208 43 L 5.2575 9.0430 122.8386 53.9237 43.7600 175.9995 44 R 5.2575 9.0370 121.2637 54.5383 33.9546 174.6031 45 F 5.4949 9.2236 120.2396 56.1220 43.6712 173.5021 46 T 5.3500 9.0205 115.5304 61.4185 68.7331 173.3066 47 H 5.2642 9.2984 124.5131 54.6292 33.9431 172.1066 48 T 5.1430 8.4141 109.5153 60.1329 71.1522 174.4612 49 T 2.6288 8.2871 111.4512 62.1301 68.8263 175.2809 50 K 4.3275 7.8982 120.6076 56.6782 33.2020 176.7394 51 R 4.6344 7.4433 118.2099 54.2074 33.7125 176.5723 52 Q 4.0305 8.4535 120.2400 59.3805 28.9008 178.2752 53 K 3.9688 8.1457 119.1561 59.5894 32.1155 178.4394 54 Y 4.0325 8.0632 119.1554 60.8976 38.7536 178.0068 55 R 3.8815 7.9914 118.7597 59.2502 29.9761 178.7666 56 N 4.2993 8.5526 116.9121 56.4109 38.3978 177.5223 57 I 4.2634 7.1262 113.9280 63.2036 37.7884 178.0556 58 K 3.8724 7.6859 119.4960 58.6940 31.8389 178.3189 59 A 4.5982 7.4980 119.6812 52.2514 19.6731 176.7237 60 N 4.6017 8.1637 116.6302 51.8531 40.6186 172.5456 61 P 4.7063 0.0000 0.0000 63.6883 32.6632 175.6174 62 A 4.7371 8.1471 123.8614 51.9949 19.2844 177.2966 63 V 4.7026 8.8248 114.5273 60.0194 37.0404 174.0280 64 A 5.3268 8.2060 121.2565 50.6777 23.0048 174.3893 *66 S 4.5266 8.5101 109.9685 58.5120 63.8211 173.4630 67 V 4.9595 8.7909 126.5022 61.1249 34.5911 173.9326 68 I 5.0292 8.3686 126.0339 58.8108 41.0424 174.3496 69 D 4.5289 9.1567 128.8792 53.7778 41.4940 175.5385 70 P 4.2874 0.0000 0.0000 64.7179 31.7813 176.5388 71 D 4.7459 7.9100 117.3735 54.1572 43.0050 175.3133 72 N 4.9398 8.7498 117.5569 50.7701 39.6978 172.7621 73 P 4.5236 0.0000 0.0000 64.8281 31.6861 177.1906 74 Y 4.2150 8.7835 116.4758 59.4802 38.2124 175.0379 75 R 4.7569 8.3280 122.3513 55.0242 31.6132 174.6131 76 Y 5.4267 8.1029 123.1232 56.4722 42.0245 173.1296 77 L 4.8012 9.3676 121.3728 53.9521 46.1360 173.8464 78 E 4.9471 9.5644 126.3941 54.5778 32.1947 174.9489 79 V 4.4154 8.3218 124.3129 61.1713 34.0822 174.4643 80 R 4.6909 8.3583 127.4571 55.4550 32.5864 176.1291 81 G 4.1240 8.1541 107.2785 45.7734 0.0000 171.6587 82 L 5.2952 8.1961 118.8480 52.4449 45.2993 176.8069 83 V 4.2376 8.8814 124.6622 63.2716 31.3508 175.3511 84 E 4.6843 9.3378 125.8438 56.5071 31.2652 175.2766 85 D 4.7913 7.7662 118.7681 53.2373 45.2095 173.8577 86 I 4.9939 8.2304 122.8258 59.7797 40.8432 174.6835 87 V 4.3904 8.7226 128.0263 60.0665 33.7345 173.1599 88 P 4.5449 0.0000 0.0000 62.3584 31.9470 176.1283 89 D 5.0200 8.7502 122.1213 52.7646 41.1502 175.1656 90 P 4.5555 0.0000 0.0000 65.2857 32.0033 177.6957 91 T 4.1031 7.9457 107.7460 61.5177 69.6038 175.6440 92 G 3.9040 8.5325 110.8919 46.3645 0.0000 175.2832 93 A 4.0511 7.9401 123.8320 55.0137 18.2817 180.3081 94 F 4.1028 8.9838 119.1321 61.5182 39.5621 176.4326 95 Y 4.0783 8.3410 118.8662 61.1615 38.4542 178.5226 96 L 4.1607 8.3743 119.5185 57.5963 41.6520 179.5452 97 K 3.8514 8.0819 118.6111 59.3154 31.9133 179.3469 98 L 3.7256 7.4542 119.1516 57.6328 41.6465 178.8874 99 N 3.4827 7.9314 116.9377 56.5569 38.8494 176.3019 100 D 4.1720 8.0529 119.3269 57.3401 41.0976 178.0641 101 R 3.6633 7.6769 118.0664 58.9739 30.0075 177.0166 102 Y 3.7346 6.9081 112.8678 56.2085 38.6627 174.9276 103 D 4.1969 7.6186 119.2446 55.0424 39.1417 173.7842 104 G 4.4053 8.0890 106.5118 43.4339 0.0000 172.4115 105 P 4.5154 0.0000 0.0000 63.8487 32.2951 177.1122 106 L 4.5129 8.0430 121.6030 54.0438 40.0097 176.5467 107 T 4.4139 7.7056 106.6532 61.6327 70.1860 175.3098 108 E 4.8066 7.7592 121.4217 53.4799 32.3298 173.8946 109 P 4.3480 0.0000 0.0000 62.0437 32.1470 174.6142 110 P 4.2393 0.0000 0.0000 62.1383 32.0049 177.1396 111 A 3.9522 8.5255 123.2574 55.1382 18.4700 178.0954 112 D 4.7603 7.8660 114.1243 53.0108 40.0171 178.1248 113 K 3.6873 7.9544 122.1520 60.3576 32.3856 178.8673 114 A 3.9815 8.0205 120.9969 54.6127 18.5504 177.3102 115 D 4.8234 8.2644 114.1186 54.2141 42.3269 176.9650 116 R 4.7527 8.0059 119.4661 56.3538 31.5614 176.0683 117 V 4.9793 9.0740 115.1371 59.9058 36.9697 174.2162 118 I 4.7152 8.7971 123.0498 59.9160 39.2222 174.9598 119 I 4.5754 8.8718 129.0408 59.9251 39.0955 174.8278 120 V 4.8564 8.8089 127.7823 61.1325 33.7297 174.2884 121 V 4.9152 9.1191 128.5242 61.1431 34.4415 173.9187 122 R 4.8300 8.8131 128.8408 54.0871 31.4479 173.7204 123 P 4.8712 0.0000 0.0000 63.4058 31.3185 176.2180 124 T 4.5816 8.8821 112.0515 61.9589 71.4331 173.5387 125 A 4.5674 7.0833 121.4815 50.9890 22.4518 175.0482 126 F 5.3035 8.7141 117.8873 55.8509 42.9890 174.5723 127 S 4.7006 9.1972 116.2290 56.4068 65.9687 174.1863 128 K 4.3255 8.4250 123.7170 55.8700 33.3101 176.0408 129 Q 4.4572 7.7115 121.3728 56.7790 28.5641 174.2151 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 2 V 8.05 4.14 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 1.16 0.00 0.00 1.22 0.00 0.00 3 A 8.63 4.10 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 4 V 8.88 2.15 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 0.40 0.00 0.00 0.58 0.00 0.00 5 P 0.00 4.18 0.00 1.95 1.81 0.00 3.09 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 6 E 8.73 4.34 0.00 1.94 1.89 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 2.28 2.31 0.00 7 G 9.08 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.03 4.37 0.00 3.07 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 9 E 8.19 3.88 0.00 2.03 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 2.60 2.49 0.00 10 S 8.18 4.20 0.00 4.05 4.09 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 11 L 8.01 4.06 0.00 1.93 1.85 1.08 0.69 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 12 L 7.63 4.40 0.00 1.30 1.28 -0.35 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.77 4.35 0.00 2.07 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 0.00 2.54 2.70 0.00 14 R 6.85 4.33 0.00 1.97 1.79 0.00 3.14 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 1.58 1.72 0.00 15 P 0.00 3.44 0.00 1.43 1.43 0.00 3.55 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 16 L 6.98 4.91 0.00 1.88 1.83 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.89 4.50 0.00 3.04 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 18 G 9.35 4.39 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 0.00 19 H 9.35 4.98 0.00 3.03 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.84 4.68 0.00 1.60 1.39 0.68 0.34 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 21 A 9.29 5.32 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.89 4.89 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 1.14 0.00 0.00 23 V 8.06 4.73 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 0.87 0.00 0.00 0.90 0.00 0.00 24 R 8.89 4.56 0.00 2.11 1.82 0.00 3.19 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 25 P 0.00 4.20 0.00 2.02 2.12 0.00 3.66 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 2.02 2.07 0.00 26 D 8.03 4.48 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.51 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 28 T 7.99 4.71 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 29 P 0.00 5.09 0.00 2.07 2.06 0.00 3.69 0.00 0.00 3.56 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 30 Q 8.95 4.77 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 31 V 8.22 5.04 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 0.76 0.00 0.00 0.95 0.00 0.00 32 N 8.96 5.12 0.00 2.59 2.64 0.00 0.00 6.71 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 33 A 8.47 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 W 8.31 4.37 0.00 3.06 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 F 8.59 5.26 0.00 2.63 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 37 A 9.09 4.89 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 38 W 9.05 5.51 0.00 3.55 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 39 D 8.24 4.55 0.00 2.63 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 40 G 6.02 3.64 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 0.00 0.00 0.00 41 E 6.89 4.32 0.00 1.80 1.84 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 2.09 2.07 0.00 42 V 7.94 4.90 2.22 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 0.99 0.00 0.00 0.98 0.00 0.00 43 L 9.04 5.26 0.00 1.83 1.45 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.04 5.26 0.00 1.84 1.54 0.00 3.08 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 45 F 9.22 5.49 0.00 3.25 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 46 T 9.02 5.35 4.67 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 1.35 0.00 0.00 47 H 9.30 5.26 0.00 3.27 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.41 5.14 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 1.25 0.00 0.00 49 T 8.29 2.63 3.61 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 0.82 0.00 0.00 50 K 7.90 4.33 0.00 1.75 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.30 7.81 51 R 7.44 4.63 0.00 1.86 1.86 0.00 3.29 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 52 Q 8.45 4.03 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 53 K 8.15 3.97 0.00 1.97 1.92 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.72 1.52 7.81 54 Y 8.06 4.03 0.00 3.20 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 55 R 7.99 3.88 0.00 2.03 1.98 0.00 3.23 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.99 0.00 56 N 8.55 4.30 0.00 2.86 2.96 0.00 0.00 6.74 6.89 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 57 I 7.13 4.26 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.87 0.00 0.00 58 K 7.69 3.87 0.00 1.67 1.74 0.00 1.40 0.00 0.00 1.15 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.70 0.97 7.81 59 A 7.50 4.60 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 60 N 8.16 4.60 0.00 2.63 2.61 0.00 0.00 6.80 7.68 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 61 P 0.00 4.71 0.00 2.13 2.23 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 62 A 8.15 4.74 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 63 V 8.82 4.70 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 0.68 0.00 0.00 0.90 0.00 0.00 64 A 8.21 5.33 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 *66 S 8.51 4.53 0.00 3.94 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 67 V 8.79 4.96 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 1.24 0.00 0.00 0.94 0.00 0.00 68 I 8.37 5.03 1.93 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 1.32 1.35 0.98 0.00 0.00 69 D 9.16 4.53 0.00 2.91 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.29 0.00 2.29 2.27 0.00 3.84 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 2.04 2.05 0.00 71 D 7.91 4.75 0.00 2.54 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.75 4.94 0.00 2.80 2.74 0.00 0.00 6.82 8.57 0.00 0.00 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 P 0.00 4.52 0.00 2.13 2.18 0.00 4.02 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 2.11 2.05 0.00 74 Y 8.78 4.21 0.00 3.15 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 75 R 8.33 4.76 0.00 1.96 2.03 0.00 3.04 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 76 Y 8.10 5.43 0.00 3.25 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 77 L 9.37 4.80 0.00 1.84 1.58 0.90 1.35 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 78 E 9.56 4.95 0.00 2.06 1.84 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 2.24 2.38 0.00 79 V 8.32 4.42 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 0.64 0.00 0.00 0.92 0.00 0.00 80 R 8.36 4.69 0.00 1.69 1.74 0.00 3.17 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 81 G 8.15 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 82 L 8.20 5.30 0.00 1.58 1.52 0.91 0.71 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 83 V 8.88 4.24 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 0.74 0.00 0.00 0.90 0.00 0.00 84 E 9.34 4.68 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 85 D 7.77 4.79 0.00 2.70 2.48 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 86 I 8.23 4.99 1.94 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 1.26 0.79 1.08 0.00 0.00 87 V 8.72 4.39 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 88 P 0.00 4.54 0.00 1.99 1.99 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 89 D 8.75 5.02 0.00 2.76 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 90 P 0.00 4.56 0.00 2.22 2.17 0.00 3.90 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 2.00 1.97 0.00 91 T 7.95 4.10 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 1.23 0.00 0.00 92 G 8.53 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 0.00 0.00 0.00 93 A 7.94 4.05 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 94 F 8.98 4.10 0.00 3.28 3.41 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 95 Y 8.34 4.08 0.00 3.19 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.16 0.00 1.96 1.75 0.98 1.17 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 97 K 8.08 3.85 0.00 1.70 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.66 7.81 98 L 7.45 3.73 0.00 1.63 1.65 1.05 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 99 N 7.93 3.48 0.00 2.88 2.93 0.00 0.00 6.89 7.86 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 0.00 100 D 8.05 4.17 0.00 2.86 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 0.00 101 R 7.68 3.66 0.00 1.72 1.85 0.00 3.11 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.36 0.00 102 Y 6.91 3.73 0.00 1.43 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 0.00 0.00 0.00 0.00 103 D 7.62 4.20 0.00 2.68 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 0.00 104 G 8.09 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 0.00 105 P 0.00 4.52 0.00 2.27 2.25 0.00 4.06 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 2.09 2.09 0.00 106 L 8.04 4.51 0.00 2.09 2.04 0.78 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.71 4.41 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 1.28 0.00 0.00 108 E 7.76 4.81 0.00 1.96 1.89 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 2.23 2.34 0.00 109 P 0.00 4.35 0.00 2.12 2.17 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 110 P 0.00 4.24 0.00 2.13 1.48 0.00 3.43 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.81 0.00 111 A 8.53 3.95 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 0.00 112 D 7.87 4.76 0.00 2.86 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 0.00 113 K 7.95 3.69 0.00 1.93 2.15 0.00 1.30 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.48 7.81 114 A 8.02 3.98 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 0.00 115 D 8.26 4.82 0.00 2.63 2.58 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 0.00 0.00 0.00 116 R 8.01 4.75 0.00 2.08 1.94 0.00 3.41 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 117 V 9.07 4.98 2.16 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 0.85 0.00 0.00 1.10 0.00 0.00 118 I 8.80 4.72 1.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.90 0.09 0.00 0.00 119 I 8.87 4.58 2.10 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 1.21 0.90 0.94 0.00 0.00 120 V 8.81 4.86 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 0.97 0.00 0.00 0.89 0.00 0.00 121 V 9.12 4.92 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.13 0.00 0.00 122 R 8.81 4.83 0.00 2.08 1.82 0.00 3.19 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 123 P 0.00 4.87 0.00 2.03 1.42 0.00 3.99 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.26 0.00 124 T 8.88 4.58 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 0.00 125 A 7.08 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.71 5.30 0.00 2.84 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 0.00 127 S 9.20 4.70 0.00 3.86 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 0.00 128 K 8.43 4.33 0.00 0.96 1.20 0.00 1.11 0.00 0.00 1.13 0.00 0.00 2.58 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.84 7.81 129 Q 7.71 4.46 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.58 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.