NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4612 8.1776 115.4168 57.8834 65.2343 173.6080 2 K 4.1107 7.8776 120.5534 56.9496 33.0736 175.6997 3 G 3.9093 9.0887 111.1972 45.1208 0.0000 174.6990 4 S 4.1512 7.5267 113.9614 58.9356 62.8636 174.0327 5 R 4.2510 8.4848 123.9345 56.4671 31.1191 175.4668 6 I 5.1086 7.5779 120.6849 59.5993 39.3676 174.8913 7 E 4.7610 9.2519 126.3578 54.8162 33.3160 173.7909 8 L 5.2391 8.7143 125.8216 53.5443 44.0465 175.6200 9 G 4.4665 9.2984 108.4586 44.4515 0.0000 171.4229 10 D 4.9945 8.6820 119.5601 53.9356 41.7963 176.5394 11 V 4.2418 8.2958 121.9024 62.1872 32.7022 175.2582 12 T 4.8176 9.2671 116.3334 59.0709 71.9058 173.0299 13 P 4.3919 0.0000 0.0000 65.2019 31.4508 177.5288 14 H 4.4280 8.1034 117.6814 57.8644 30.1082 175.2994 15 N 4.9135 8.2091 114.2868 51.8850 38.0571 175.9062 16 I 3.7934 7.9113 122.8637 64.9190 38.0151 178.2675 17 K 3.8408 8.0059 124.3077 59.7851 31.4745 181.7488 18 Q 4.1264 8.0198 120.3876 58.7098 28.8868 177.7381 19 L 3.9451 7.7951 120.9999 58.1567 42.0950 178.6603 20 K 3.7560 7.9119 120.7728 58.7863 31.8809 178.4415 21 R 3.8591 7.8070 118.7687 59.4948 29.9677 178.4719 22 L 3.9900 7.9713 118.4870 58.0142 41.6743 179.2624 23 N 4.7954 8.5938 116.6651 56.6137 38.2656 177.4808 24 Q 4.0838 8.3708 119.0490 58.8972 28.8388 178.8107 25 V 3.7279 7.3751 118.5270 65.9432 31.7174 177.9030 26 I 3.6427 7.5832 118.2497 62.3766 37.4352 176.3087 27 F 4.9143 7.4718 117.5559 54.9653 40.5098 174.4988 28 P 4.3660 0.0000 0.0000 64.5797 31.7234 176.7611 29 V 4.0029 7.4614 118.4402 60.1048 32.7350 175.7122 30 S 4.2773 8.1594 119.4399 58.1788 63.6623 173.0332 31 Y 4.4207 8.1951 121.7074 56.0407 39.9723 175.5705 32 N 4.9097 8.4130 121.1794 51.6951 39.4544 175.6264 33 D 4.7649 8.6281 117.1581 56.9828 40.5502 178.9485 34 K 3.9842 8.2131 120.3164 59.2852 32.3253 177.9653 35 F 3.9347 8.4750 121.0631 61.9707 39.2904 176.9568 36 Y 4.2334 7.6848 114.5707 60.7950 37.4348 178.2359 37 K 4.1028 8.1280 119.9419 59.7012 32.6352 178.3616 38 D 4.4413 8.3881 119.4599 57.3225 40.8682 179.1522 39 V 3.5171 7.6427 112.8574 63.9393 31.2556 177.9955 40 L 4.3225 7.4225 115.6769 56.0703 41.6405 177.7171 41 E 4.6227 7.8846 116.7338 56.0088 31.2119 177.1319 42 V 4.0963 7.4529 111.3320 59.7757 32.2952 177.0271 43 G 3.7953 8.5436 109.5603 46.3842 0.0000 176.8257 44 E 4.1474 9.0424 124.3767 58.2965 29.4069 176.9992 45 L 4.5153 7.8917 117.9151 54.9993 42.8156 176.0051 46 A 5.2109 8.1071 121.1763 50.0863 21.6559 175.9691 47 K 4.8094 9.0101 120.8013 54.6988 37.2141 175.5675 48 L 4.7741 8.6644 122.8913 53.8182 43.6330 175.4060 49 A 5.0952 8.5752 124.6344 50.3794 21.7097 175.0664 50 Y 5.0982 9.3593 119.7140 56.0127 41.4847 174.5768 51 F 5.0023 9.0798 125.8306 56.7195 42.1958 174.8745 52 N 3.9749 9.1966 125.1951 54.5374 36.5828 174.7189 53 D 4.4872 8.2894 112.6535 54.9051 38.7058 173.7478 54 I 4.2864 7.7648 121.3623 59.2570 38.3221 174.8841 55 A 3.9166 8.7184 128.4976 52.6820 18.0265 176.9659 56 V 4.2435 8.4251 114.9303 61.4086 34.3852 175.5038 57 G 4.3710 7.3819 106.5578 46.0622 0.0000 171.5992 58 A 5.1176 8.3611 118.8384 50.9440 23.2200 175.9268 59 V 4.8076 8.7563 119.7431 60.0773 34.6605 174.4168 60 C 5.0851 9.4099 121.5405 58.2714 31.0869 173.0697 61 C 5.0426 8.6977 120.5765 57.9789 31.7298 173.0018 62 R 4.6803 8.5487 118.4651 55.0373 33.6464 173.7244 63 V 4.5889 8.4339 124.3103 62.2941 32.8366 174.4301 64 D 4.9364 9.5951 127.7493 52.9425 43.9252 174.2807 65 H 5.6886 9.3168 123.4925 53.2297 29.2998 173.4938 66 S 4.6492 7.8512 116.5164 56.9166 66.2256 174.1827 67 Q 3.5547 9.4530 116.9058 56.8828 26.0572 173.7427 68 N 4.2665 8.4235 110.6852 54.3310 36.1752 173.9106 69 Q 4.7292 8.0749 116.1756 53.8753 32.1571 174.3299 70 K 4.5359 9.2626 121.6321 55.2361 33.6464 175.3846 71 R 5.3598 9.2768 126.7821 54.3857 34.2500 174.4400 72 L 4.9839 9.1236 125.2250 54.1000 43.8351 174.3779 73 Y 4.7978 8.8760 128.6799 56.1595 40.1415 175.1156 74 I 4.1311 7.6037 128.0732 60.5536 38.9432 175.5126 *76 T 3.6475 8.1656 112.8270 61.5273 70.2086 172.7738 77 L 4.9252 8.1499 126.2194 54.3445 45.1122 174.7150 78 G 4.1311 8.5593 111.9084 46.1592 0.0000 171.3699 79 C 5.3106 8.3034 114.2363 55.7510 33.4905 173.6419 80 L 3.9642 8.7109 119.5255 55.2432 42.0598 178.2738 81 A 3.9027 9.0302 126.8081 54.9040 18.2743 177.9850 82 P 4.1550 0.0000 0.0000 65.0009 31.3254 176.4132 83 Y 4.2170 7.5892 115.6293 57.6269 37.9958 175.9831 84 R 4.1209 7.4205 118.9989 56.8488 30.7774 175.9184 85 R 3.9309 8.4768 115.4746 57.9909 27.0030 177.0613 86 L 4.6206 8.3284 114.2899 54.3632 43.2233 177.5616 87 G 4.0965 8.3709 107.5640 45.4124 0.0000 175.6413 88 I 3.8601 7.6607 121.1622 63.9836 37.5969 177.7476 89 G 3.5053 8.1207 108.3063 48.8955 0.0000 174.6456 90 T 4.2045 8.4306 117.1040 66.5424 68.7765 176.7208 91 K 3.8984 8.0937 119.2238 57.4901 32.2711 177.6631 *93 L 4.2286 7.9695 120.9753 54.7275 43.8316 178.5337 94 N 4.3954 8.6691 116.4256 56.3670 38.3569 176.5837 95 H 4.0907 8.3471 119.7150 59.6042 29.9862 177.7302 96 V 3.5606 7.7064 113.3614 64.3727 31.4374 178.2835 97 L 3.9941 8.2572 119.0805 57.9930 41.3764 179.5230 98 N 4.3677 8.3327 116.4105 56.1286 38.4681 177.3582 99 I 3.6603 7.4298 120.7972 64.8496 37.1921 178.2803 100 C 4.0625 7.8269 117.0186 62.6116 27.5912 175.8807 101 E 3.9898 7.6606 120.3661 59.0941 29.3646 178.5932 102 K 4.1546 8.0443 117.7351 59.2463 32.1378 178.7078 103 D 4.5009 8.1964 117.8642 56.8387 41.4585 177.7446 104 G 4.0268 8.5210 105.4625 45.6830 0.0000 173.6867 105 T 4.4063 8.1215 108.1927 61.1738 69.6445 174.7770 106 F 4.4368 8.0778 121.9331 57.7278 39.8852 175.0580 107 D 4.7323 9.8180 126.8009 57.2520 42.0369 175.7260 108 N 5.2836 7.8352 113.4824 52.2425 40.9751 173.0163 109 I 5.3386 8.7102 118.8454 59.6475 41.7101 173.4827 110 Y 5.6404 8.9247 125.6514 56.4130 42.3048 172.8569 111 L 4.3741 8.6563 118.7719 55.6386 44.3037 172.9504 112 H 5.3584 8.7122 116.1160 53.9591 31.0624 174.3254 113 V 4.5217 8.8064 122.8216 60.6842 34.4757 174.3688 114 Q 4.8402 9.2838 128.7403 56.8256 29.2266 177.8222 115 I 3.6157 8.6303 120.0197 63.3754 37.5628 177.0207 116 S 4.3951 7.9154 113.9757 59.6154 64.1317 175.0902 117 N 4.7085 8.1709 122.0607 52.5328 35.1119 174.4889 118 E 4.0541 8.0973 125.1670 59.3411 30.1249 178.9780 119 S 4.1454 8.1015 113.4906 61.3425 63.0790 176.2111 120 A 4.0916 8.3026 124.3283 54.9042 18.0846 179.5595 121 I 3.7984 7.9806 118.2940 64.7401 37.2758 178.0585 122 D 4.4506 8.3259 119.7377 57.5887 40.2397 178.6761 123 F 4.1639 8.5236 120.9073 61.9663 39.3712 176.9074 124 Y 3.5215 8.3520 116.1555 60.8749 37.5643 178.6454 125 R 4.5099 8.4959 120.8193 58.4731 29.8997 178.7095 126 K 3.7433 7.7747 118.9318 59.2344 32.1903 177.1367 127 F 4.3941 7.8086 114.7547 57.2573 38.8129 176.4562 128 G 3.9900 8.4320 108.9543 45.3126 0.0000 174.1005 129 F 4.5130 8.5510 118.6529 57.3320 40.3616 174.3571 130 E 4.8479 9.1023 120.8154 54.2751 33.6349 175.3052 131 I 4.3492 8.5960 124.3597 61.9220 37.2489 175.7720 132 I 4.3615 8.3671 120.8381 60.2743 38.6473 175.2356 133 E 4.8562 7.2854 121.5293 56.1680 32.8422 174.6540 134 T 5.0624 8.7048 121.5813 61.8308 71.2581 173.4924 135 K 4.4666 8.9922 127.5627 54.9031 32.9855 176.5419 136 K 4.4855 8.7168 125.2242 56.7732 33.4652 177.1149 137 N 4.4371 9.6274 121.5468 54.3925 36.7895 175.4652 138 Y 4.0489 7.5911 121.0563 60.5560 38.9795 175.9611 139 Y 4.4693 8.1017 119.4861 57.2778 39.1480 176.4800 140 K 4.1431 8.8652 126.7717 57.5564 32.0511 175.5097 141 R 4.4829 7.9257 115.8513 55.6800 31.2279 176.2525 142 I 4.5102 7.5371 110.3051 58.8401 40.0314 174.3924 143 E 4.7216 8.2766 120.7845 53.6981 31.6206 174.6094 144 P 4.4738 0.0000 0.0000 62.7144 32.2891 176.2209 145 A 4.4866 8.5039 120.6629 54.1786 19.9188 177.3129 146 D 5.2039 8.2143 115.2400 54.0689 42.7351 175.4467 147 A 5.2834 8.6596 122.1697 50.6235 22.9073 175.0086 148 H 5.0445 9.6419 119.4021 55.1809 30.8629 174.7032 149 V 4.4667 8.8516 123.1755 61.8018 32.8977 174.4203 150 L 5.2726 8.6347 128.5359 53.3502 43.9108 175.5468 151 Q 5.1238 9.2314 123.7290 54.2585 33.1657 173.2898 152 K 4.4374 8.5812 127.0195 54.2417 34.4651 174.7618 153 N 4.6587 8.7216 125.5744 53.5407 38.5034 174.7833 154 L 4.5296 8.7809 125.8015 56.1541 44.1331 177.6088 155 K 4.1875 7.9788 123.6881 54.7382 31.7182 179.8374 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 S 8.18 4.46 0.00 4.04 4.22 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 2 K 7.88 4.11 0.00 1.95 1.86 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.56 7.81 3 G 9.09 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 4 S 7.53 4.15 0.00 3.94 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 5 R 8.48 4.25 0.00 1.42 1.36 0.00 3.05 0.00 0.00 3.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 6 I 7.58 5.11 1.94 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 1.38 0.70 1.06 0.00 0.00 7 E 9.25 4.76 0.00 1.99 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 2.19 2.30 0.00 8 L 8.71 5.24 0.00 1.56 1.55 0.94 0.84 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 9 G 9.30 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.68 4.99 0.00 2.59 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 11 V 8.30 4.24 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 0.87 0.00 0.00 1.00 0.00 0.00 12 T 9.27 4.82 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 13 P 0.00 4.39 0.00 2.09 2.18 0.00 3.70 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 2.10 0.00 14 H 8.10 4.43 0.00 3.13 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.21 4.91 0.00 3.00 3.01 0.00 0.00 6.50 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 16 I 7.91 3.79 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.95 0.00 0.00 17 K 8.01 3.84 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.07 7.81 18 Q 8.02 4.13 0.00 2.15 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 19 L 7.80 3.95 0.00 1.84 1.90 1.01 1.07 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 20 K 7.91 3.76 0.00 0.91 1.62 0.00 1.19 0.00 0.00 1.44 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.01 7.81 21 R 7.81 3.86 0.00 2.07 2.10 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 22 L 7.97 3.99 0.00 1.95 1.71 0.83 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.59 4.80 0.00 3.13 3.18 0.00 0.00 7.10 8.59 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 24 Q 8.37 4.08 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 25 V 7.38 3.73 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 0.78 0.00 0.00 0.95 0.00 0.00 26 I 7.58 3.64 1.20 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 1.30 0.55 -0.03 0.00 0.00 27 F 7.47 4.91 0.00 3.35 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 28 P 0.00 4.37 0.00 2.06 2.11 0.00 3.94 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 29 V 7.46 4.00 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 0.74 0.00 0.00 0.31 0.00 0.00 30 S 8.16 4.28 0.00 3.77 3.75 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 31 Y 8.20 4.42 0.00 2.47 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 0.00 0.00 0.00 32 N 8.41 4.91 0.00 3.02 3.02 0.00 0.00 6.25 8.07 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 33 D 8.63 4.76 0.00 2.80 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 34 K 8.21 3.98 0.00 1.88 1.98 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.53 7.81 35 F 8.48 3.93 0.00 3.08 2.80 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 36 Y 7.68 4.23 0.00 3.29 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 37 K 8.13 4.10 0.00 2.24 2.00 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.35 7.81 38 D 8.39 4.44 0.00 2.78 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 39 V 7.64 3.52 1.92 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 0.17 0.00 0.00 0.97 0.00 0.00 40 L 7.42 4.32 0.00 1.87 1.73 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.88 4.62 0.00 2.02 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 0.00 2.36 2.44 0.00 42 V 7.45 4.10 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 0.83 0.00 0.00 0.89 0.00 0.00 43 G 8.54 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 44 E 9.04 4.15 0.00 2.00 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 2.35 2.32 0.00 45 L 7.89 4.52 0.00 1.71 1.65 0.96 0.57 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 46 A 8.11 5.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.01 4.81 0.00 1.56 1.59 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.23 1.21 7.81 48 L 8.66 4.77 0.00 1.61 1.04 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.58 5.10 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 50 Y 9.36 5.10 0.00 2.95 2.83 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 51 F 9.08 5.00 0.00 3.06 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 52 N 9.20 3.97 0.00 2.76 2.78 0.00 0.00 7.14 7.61 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 53 D 8.29 4.49 0.00 2.82 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 54 I 7.76 4.29 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.09 0.89 0.00 0.00 55 A 8.72 3.92 1.11 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 56 V 8.43 4.24 1.69 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 -0.13 0.00 0.00 0.72 0.00 0.00 57 G 7.38 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 0.00 0.00 0.00 0.00 58 A 8.36 5.12 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 59 V 8.76 4.81 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 60 C 9.41 5.09 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.70 5.04 0.00 2.75 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 62 R 8.55 4.68 0.00 1.86 1.82 0.00 3.17 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 63 V 8.43 4.59 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 0.80 0.00 0.00 1.18 0.00 0.00 64 D 9.60 4.94 0.00 2.93 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 65 H 9.32 5.69 0.00 3.05 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.85 4.65 0.00 3.89 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 67 Q 9.45 3.55 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 68 N 8.42 4.27 0.00 2.84 2.89 0.00 0.00 6.91 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 69 Q 8.07 4.73 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 70 K 9.26 4.54 0.00 1.66 1.63 0.00 1.24 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.72 1.02 7.81 71 R 9.28 5.36 0.00 2.06 2.11 0.00 3.23 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 72 L 9.12 4.98 0.00 1.10 1.37 0.88 0.83 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 Y 8.88 4.80 0.00 2.84 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 74 I 7.60 4.13 1.55 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 1.19 0.55 0.80 0.00 0.00 *76 T 8.17 3.65 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 0.10 0.00 0.00 77 L 8.15 4.93 0.00 1.65 1.65 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.56 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 79 C 8.30 5.31 0.00 3.03 2.77 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 80 L 8.71 3.96 0.00 1.78 1.75 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 A 9.03 3.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.15 0.00 1.56 1.94 0.00 3.62 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 1.78 1.85 0.00 83 Y 7.59 4.22 0.00 2.97 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 7.42 4.12 0.00 1.84 1.77 0.00 3.18 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 85 R 8.48 3.93 0.00 1.94 2.05 0.00 3.32 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 86 L 8.33 4.62 0.00 1.71 1.73 0.63 1.07 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 87 G 8.37 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.66 3.86 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.90 0.00 0.00 89 G 8.12 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.43 4.20 4.59 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 1.52 0.00 0.00 91 K 8.09 3.90 0.00 2.02 1.99 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 *93 L 7.97 4.23 0.00 1.64 1.25 0.97 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.67 4.40 0.00 2.92 2.93 0.00 0.00 6.61 8.18 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 95 H 8.35 4.09 0.00 3.35 3.33 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.71 3.56 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 0.95 0.00 0.00 0.97 0.00 0.00 97 L 8.26 3.99 0.00 1.70 1.77 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.33 4.37 0.00 2.88 2.85 0.00 0.00 6.94 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 99 I 7.43 3.66 1.91 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 1.46 0.43 0.88 0.00 0.00 100 C 7.83 4.06 0.00 3.04 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 0.00 101 E 7.66 3.99 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 102 K 8.04 4.15 0.00 2.05 1.88 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.47 1.31 7.81 103 D 8.20 4.50 0.00 2.82 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 0.00 104 G 8.52 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 0.00 105 T 8.12 4.41 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 106 F 8.08 4.44 0.00 3.06 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 0.00 107 D 9.82 4.73 0.00 2.69 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 0.00 108 N 7.84 5.28 0.00 2.93 2.88 0.00 0.00 5.63 7.58 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 0.00 109 I 8.71 5.34 1.85 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 1.63 1.29 0.84 0.00 0.00 110 Y 8.92 5.64 0.00 3.31 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 0.00 111 L 8.66 4.37 0.00 1.47 1.38 0.44 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.71 5.36 0.00 3.01 2.90 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.81 4.52 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 1.07 0.00 0.00 0.98 0.00 0.00 114 Q 9.28 4.84 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 115 I 8.63 3.62 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 0.72 0.00 0.00 116 S 7.92 4.40 0.00 4.01 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 0.00 117 N 8.17 4.71 0.00 2.91 2.85 0.00 0.00 7.04 7.23 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 0.00 118 E 8.10 4.05 0.00 2.08 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 2.45 2.61 0.00 119 S 8.10 4.15 0.00 4.05 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 0.00 120 A 8.30 4.09 1.62 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 0.00 0.00 121 I 7.98 3.80 2.11 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.89 0.99 0.00 0.00 122 D 8.33 4.45 0.00 3.03 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 0.00 123 F 8.52 4.16 0.00 3.07 3.15 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 0.00 124 Y 8.35 3.52 0.00 3.04 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 0.00 125 R 8.50 4.51 0.00 2.01 2.05 0.00 3.22 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.70 0.00 126 K 7.77 3.74 0.00 1.72 1.97 0.00 1.70 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.81 1.16 7.81 127 F 7.81 4.39 0.00 3.17 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 0.00 128 G 8.43 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.55 4.51 0.00 3.20 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 0.00 130 E 9.10 4.85 0.00 1.87 1.81 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 2.23 2.27 0.00 131 I 8.60 4.35 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.46 0.88 0.00 0.00 132 I 8.37 4.36 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.91 0.00 0.00 133 E 7.29 4.86 0.00 2.01 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 2.15 2.19 0.00 134 T 8.70 5.06 4.29 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 1.30 0.00 0.00 135 K 8.99 4.47 0.00 1.66 1.79 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.40 7.81 136 K 8.72 4.49 0.00 1.74 1.75 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.50 7.81 137 N 9.63 4.44 0.00 2.85 2.92 0.00 0.00 6.95 7.39 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 0.00 138 Y 7.59 4.05 0.00 2.91 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 0.00 139 Y 8.10 4.47 0.00 3.04 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 0.00 140 K 8.87 4.14 0.00 1.77 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.03 7.81 141 R 7.93 4.48 0.00 2.01 1.97 0.00 3.25 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 142 I 7.54 4.51 1.77 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 0.82 0.00 0.00 143 E 8.28 4.72 0.00 1.95 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 2.20 2.20 0.00 144 P 0.00 4.47 0.00 2.23 2.08 0.00 3.76 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 2.03 1.99 0.00 145 A 8.50 4.49 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 0.00 146 D 8.21 5.20 0.00 2.67 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 0.00 147 A 8.66 5.28 0.98 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 0.00 0.00 148 H 9.64 5.04 0.00 3.09 3.20 0.00 5.61 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 0.00 149 V 8.85 4.47 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.92 0.00 0.00 150 L 8.63 5.27 0.00 1.63 1.72 0.97 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.23 5.12 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.49 0.00 152 K 8.58 4.44 0.00 0.79 0.74 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.07 1.24 7.81 153 N 8.72 4.66 0.00 2.58 2.71 0.00 0.00 7.04 7.85 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 0.00 154 L 8.78 4.53 0.00 1.80 1.72 0.92 0.75 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 0.00 155 K 7.98 4.19 0.00 1.77 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.