NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4324 8.3349 115.5553 57.7704 65.2561 172.9148 3 F 4.2707 7.9258 117.7361 55.7607 41.7194 173.2850 4 R 4.8380 8.5697 124.2996 55.7789 32.1407 176.6329 5 F 4.9493 8.7874 123.0764 57.4932 41.2637 175.5791 6 G 3.7835 8.0356 119.6216 46.6042 0.0000 171.9015 7 Q 4.5126 8.5965 123.2967 55.2709 28.8799 174.3712 8 H 5.1124 7.6041 113.9844 53.5968 31.1553 172.4903 9 L 5.0766 8.4250 120.7241 53.9415 43.3246 175.8670 10 I 4.5824 8.6449 124.1806 59.4115 39.6250 175.3808 11 K 4.3557 8.6652 126.4630 55.5889 32.9155 176.4486 12 P 4.4301 0.0000 0.0000 65.7127 31.7654 178.8154 13 S 4.1666 8.2461 112.3074 60.6444 63.1605 175.7150 14 V 4.2477 8.0476 112.7364 60.8322 31.9343 174.9465 15 V 4.3918 7.6020 121.4181 61.2659 32.0214 175.3882 16 F 4.8820 7.8804 121.4096 56.6071 39.0389 175.4447 17 L 4.2699 6.6434 122.9174 53.6459 44.7843 173.7162 18 K 4.9291 8.3560 125.9460 54.9356 33.9622 175.0951 19 T 4.8722 8.9543 117.7495 59.6333 71.3188 174.1523 20 E 4.2164 8.7719 117.8594 59.0372 29.9689 177.0635 21 L 4.8966 7.6755 116.4533 54.0607 44.4330 176.0049 22 S 5.4711 8.8588 114.9339 57.1478 68.0136 172.5002 23 F 5.0850 9.0077 114.1154 55.8175 41.3881 173.1355 24 A 4.7589 8.5195 121.9249 49.8718 22.1456 175.1317 25 L 5.0335 8.1257 119.8502 54.2139 44.5119 175.9915 26 V 4.4899 8.3599 113.2536 60.7579 33.0817 175.4699 27 N 4.7276 8.2296 119.2411 51.8268 40.0373 175.6932 28 R 3.8425 8.5450 121.7279 58.7769 30.5826 176.0091 29 K 4.8249 7.6902 115.9249 51.8638 32.3831 172.8588 30 P 4.3170 0.0000 0.0000 62.3018 32.1228 177.9297 31 V 3.7210 8.7626 121.7293 65.4259 31.8954 176.0404 32 V 4.5126 7.1946 110.5855 58.3733 35.5981 172.6715 33 P 4.1696 0.0000 0.0000 64.0169 31.4044 177.2875 34 G 2.2636 7.8334 111.4596 44.1835 0.0000 172.3748 35 H 4.3374 7.6344 119.8502 56.8697 30.2235 174.6029 36 V 4.5601 8.5868 118.5635 59.4227 36.2393 174.5028 37 L 5.1195 8.4888 120.6055 52.9497 45.2183 176.1071 38 V 4.4521 8.3387 122.3081 61.2479 34.1011 174.1418 39 C 5.1952 8.4163 124.9814 57.0048 32.4807 172.2221 40 P 4.8704 0.0000 0.0000 62.3680 31.9551 176.6478 41 L 4.3378 8.9687 120.5765 57.6725 41.7495 178.1714 42 R 4.1453 7.9254 119.2969 55.0560 30.3644 174.8073 43 P 4.0163 0.0000 0.0000 61.8720 30.1397 175.4022 44 V 4.3739 7.5345 119.3627 60.0859 34.2429 176.7797 45 E 4.1260 8.7078 123.1784 58.0242 30.1489 176.9666 46 R 4.8945 7.8812 116.9164 53.7895 33.0856 176.5410 47 F 4.4545 9.6273 124.5162 61.7762 39.4551 177.1165 48 H 4.2144 8.0597 114.2063 57.7691 28.4997 176.1142 49 D 4.4680 7.8498 120.1271 56.6096 40.9068 176.9821 50 L 4.3182 7.3481 118.7915 54.3661 42.2898 177.8027 51 R 4.2288 9.1425 122.0630 55.0442 32.1301 176.3254 52 P 4.2296 0.0000 0.0000 65.9201 31.2681 178.7336 53 D 4.3793 8.0610 117.3721 56.6908 39.2383 178.3925 54 E 3.9939 8.1520 119.5315 58.8220 29.5766 179.3557 55 V 3.8272 8.0850 118.5403 65.9443 31.5664 177.9508 56 A 4.0776 8.2359 120.6084 55.2401 18.2031 179.1237 57 D 4.2468 8.3922 116.7311 57.3357 41.3657 177.8926 58 L 3.8463 8.1108 122.5386 57.6853 42.0035 178.9859 59 F 4.1477 8.1900 116.8112 59.9937 39.0968 178.0922 60 Q 4.0777 8.5534 118.4132 59.0695 28.3976 178.7730 61 T 3.9035 8.1569 117.0990 66.9179 68.4224 176.9179 62 T 3.8795 7.8444 117.6853 66.4918 68.4992 176.4806 63 Q 3.9810 8.2980 121.5139 59.3424 29.2562 178.4993 64 R 4.0845 7.9637 118.7359 59.3318 30.1514 179.2830 65 V 4.1585 8.3369 118.2735 66.0691 31.5447 178.1781 66 G 3.8545 8.5960 105.6655 48.2934 0.0000 175.6554 67 T 3.9065 7.9444 117.8299 66.2718 68.4213 176.8405 68 V 3.2076 7.7068 119.7154 66.1586 31.5527 178.5626 69 V 3.7571 8.2824 112.4678 64.2298 31.2618 178.2715 70 E 3.8988 8.3667 119.3654 59.1533 29.4905 178.6063 71 K 3.7963 7.8052 119.3136 59.6867 32.0824 178.0390 72 H 3.7689 7.9143 118.5064 59.0628 29.7426 176.0116 73 F 4.4718 8.1766 114.8778 56.8776 38.7830 175.2771 74 H 3.9366 7.7141 116.5675 56.7661 26.4180 175.2583 75 G 3.9969 8.2873 107.4926 45.3562 0.0000 174.1353 76 T 4.6147 8.6525 107.9128 61.3090 70.0579 173.3192 77 S 4.7099 7.6154 117.2532 58.7114 67.6270 173.0804 78 L 4.9724 8.2986 118.8426 54.0501 45.6368 175.7584 79 T 4.6017 8.5288 119.3769 61.7794 71.0811 173.2344 80 F 5.2922 8.9323 124.5581 56.1951 41.5736 174.8508 81 S 4.4356 8.7680 119.0381 57.6250 67.5921 173.0890 *83 Q 4.1167 8.6320 117.2592 56.8894 28.3171 174.0144 84 D 4.5174 8.0553 121.9273 51.1508 40.1890 175.0089 85 G 4.2185 8.5022 110.3272 42.5347 0.0000 170.9963 86 P 4.2393 0.0000 0.0000 65.6332 31.3616 178.3944 87 E 4.2422 8.1873 113.7922 57.2916 29.5954 176.8137 88 A 4.4350 7.9588 121.2103 51.8062 19.7169 177.7773 89 G 3.9663 7.9055 104.0171 44.6400 0.0000 173.8134 90 Q 4.0080 7.9400 121.0539 56.7769 29.4138 175.5988 91 T 4.2690 8.7353 115.6164 63.3366 69.9779 175.2404 92 V 3.9184 7.5382 121.8649 59.6721 32.7943 177.3366 93 K 4.3487 8.2597 127.2611 55.3939 30.2573 176.3840 94 H 4.9288 7.3351 117.2033 54.1458 33.4184 172.7108 95 V 3.9816 8.4882 127.7960 63.6247 31.7721 174.7868 96 H 4.9947 8.5039 121.2246 54.6539 31.4498 172.7063 97 V 4.4234 8.6318 121.2701 61.7482 33.6039 174.2499 98 H 5.0961 9.2741 125.9494 55.1436 30.4495 174.3099 99 V 4.5911 8.7649 123.1870 60.9786 34.1647 174.1399 100 L 4.7866 8.3689 127.6859 52.0784 44.8308 174.3975 101 P 4.6304 0.0000 0.0000 62.5633 32.1911 176.1053 102 R 4.9020 8.9784 123.0766 54.4046 33.1933 175.1502 103 K 4.9983 8.8727 120.7204 53.9149 36.7626 175.6797 104 A 3.9231 8.6243 125.0493 53.6214 18.6361 177.8463 105 G 3.8712 8.7644 110.8731 46.4241 0.0000 173.4936 106 D 4.4747 7.5110 119.0881 52.1583 40.7357 176.2128 *127 A 4.4204 8.3491 121.3575 52.2031 19.7072 177.9958 128 S 4.5540 7.8195 107.4436 57.7285 63.9206 173.4875 129 W 4.6079 8.4131 131.3271 57.8163 30.6993 174.8470 130 R 4.1878 6.6320 120.9536 54.0747 32.1523 174.5635 131 S 4.0087 7.8374 114.2905 57.9108 63.4566 174.1919 132 E 3.9800 8.7903 120.5390 59.5257 29.7018 178.4910 133 E 4.0414 8.1746 119.3149 59.1932 30.0846 178.3641 134 E 4.2460 7.9807 117.6625 56.4521 29.2798 178.0893 *136 A 4.7473 8.3959 121.3516 51.7744 20.8596 179.8061 137 A 3.9879 8.1957 117.7765 55.2546 18.3816 179.4196 138 E 3.8725 8.3252 117.6533 59.4722 29.7225 178.9667 139 A 4.0278 8.0040 120.0841 55.0342 18.2837 179.3244 140 A 3.9879 8.0286 118.4823 55.0182 18.2698 179.4048 141 A 4.0436 8.0823 119.3242 55.4551 18.5992 179.8885 142 L 3.9959 7.8097 117.4429 58.0347 41.5560 179.9634 143 R 4.3639 8.3905 118.0867 59.3241 29.7435 178.9628 144 V 3.6539 7.5761 117.5640 66.4572 31.1563 177.5548 145 Y 3.9390 7.7827 114.2496 59.6474 37.7338 176.9713 146 F 4.8228 7.7729 116.8297 57.0789 39.6945 175.7017 147 Q 4.2467 7.7420 123.5031 56.3154 28.4869 176.1669 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 S 8.33 4.43 0.00 3.51 3.87 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 3 F 7.93 4.27 0.00 2.84 1.88 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 4 R 8.57 4.84 0.00 1.93 1.94 0.00 3.19 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 5 F 8.79 4.95 0.00 3.21 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 6 G 8.04 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.60 4.51 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 8 H 7.60 5.11 0.00 3.30 3.43 0.00 5.25 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 9 L 8.43 5.08 0.00 1.61 1.68 0.94 0.87 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 10 I 8.64 4.58 2.04 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 1.48 1.71 0.92 0.00 0.00 11 K 8.67 4.36 0.00 1.75 1.77 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.52 7.81 12 P 0.00 4.43 0.00 2.27 2.32 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 2.19 2.28 0.00 13 S 8.25 4.17 0.00 4.02 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 14 V 8.05 4.25 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 0.70 0.00 0.00 0.99 0.00 0.00 15 V 7.60 4.39 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 0.32 0.00 0.00 0.32 0.00 0.00 16 F 7.88 4.88 0.00 3.27 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 17 L 6.64 4.27 0.00 0.87 0.79 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.36 4.93 0.00 1.79 1.66 0.00 2.05 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.59 7.81 19 T 8.95 4.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 20 E 8.77 4.22 0.00 2.11 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 2.29 2.35 0.00 21 L 7.68 4.90 0.00 1.86 1.71 0.95 0.74 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 22 S 8.86 5.47 0.00 3.63 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.01 5.08 0.00 2.82 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 24 A 8.52 4.76 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.13 5.03 0.00 1.65 1.47 0.51 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.36 4.49 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 0.79 0.00 0.00 0.92 0.00 0.00 27 N 8.23 4.73 0.00 2.43 2.61 0.00 0.00 6.89 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 28 R 8.54 3.84 0.00 1.82 1.89 0.00 2.37 0.00 0.00 2.87 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 29 K 7.69 4.82 0.00 1.77 1.74 0.00 1.95 0.00 0.00 1.96 0.00 0.00 3.23 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.45 7.81 30 P 0.00 4.32 0.00 2.33 1.92 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 31 V 8.76 3.72 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 0.73 0.00 0.00 0.92 0.00 0.00 32 V 7.19 4.51 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 0.65 0.00 0.00 0.85 0.00 0.00 33 P 0.00 4.17 0.00 2.01 2.02 0.00 3.57 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 34 G 7.83 2.26 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 35 H 7.63 4.34 0.00 3.07 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.59 4.56 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 1.06 0.00 0.00 37 L 8.49 5.12 0.00 1.13 1.17 0.48 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.34 4.45 1.88 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 0.78 0.00 0.00 0.84 0.00 0.00 39 C 8.42 5.20 0.00 2.30 2.66 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 0.00 0.00 0.00 0.00 40 P 0.00 4.87 0.00 2.29 2.13 0.00 4.12 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 2.29 2.10 0.00 41 L 8.97 4.34 0.00 1.69 1.81 1.02 0.85 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 42 R 7.93 4.15 0.00 1.80 1.97 0.00 3.23 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 43 P 0.00 4.02 0.00 2.15 2.12 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 44 V 7.53 4.37 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 0.72 0.00 0.00 1.02 0.00 0.00 45 E 8.71 4.13 0.00 1.90 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 2.27 2.31 0.00 46 R 7.88 4.89 0.00 1.74 1.67 0.00 3.39 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 47 F 9.63 4.45 0.00 2.99 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 48 H 8.06 4.21 0.00 3.24 3.41 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.85 4.47 0.00 2.79 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 50 L 7.35 4.32 0.00 1.57 1.61 1.22 0.77 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 51 R 9.14 4.23 0.00 1.97 1.84 0.00 3.14 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 52 P 0.00 4.23 0.00 2.15 2.09 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 53 D 8.06 4.38 0.00 2.88 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 54 E 8.15 3.99 0.00 2.23 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 0.00 2.44 2.39 0.00 55 V 8.08 3.83 2.26 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 1.24 0.00 0.00 0.80 0.00 0.00 56 A 8.24 4.08 1.42 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 0.00 0.00 57 D 8.39 4.25 0.00 2.84 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 58 L 8.11 3.85 0.00 1.87 1.80 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.19 4.15 0.00 3.30 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 60 Q 8.55 4.08 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 61 T 8.16 3.90 4.35 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 0.00 0.00 0.00 1.06 0.00 0.00 62 T 7.84 3.88 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 1.33 0.00 0.00 63 Q 8.30 3.98 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 64 R 7.96 4.08 0.00 2.27 2.32 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 65 V 8.34 4.16 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 1.21 0.00 0.00 0.96 0.00 0.00 66 G 8.60 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.94 3.91 4.48 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 1.22 0.00 0.00 68 V 7.71 3.21 2.24 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 0.57 0.00 0.00 0.46 0.00 0.00 69 V 8.28 3.76 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.04 0.00 0.00 70 E 8.37 3.90 0.00 2.11 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 2.37 2.30 0.00 71 K 7.81 3.80 0.00 2.00 1.63 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.39 7.81 72 H 7.91 3.77 0.00 2.21 2.79 0.00 5.99 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 73 F 8.18 4.47 0.00 3.14 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 74 H 7.71 3.94 0.00 3.28 3.39 0.00 5.84 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 75 G 8.29 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.65 4.61 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 77 S 7.62 4.71 0.00 3.74 3.78 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 0.00 0.00 0.00 0.00 78 L 8.30 4.97 0.00 1.40 0.82 1.10 0.60 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 79 T 8.53 4.60 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 1.18 0.00 0.00 80 F 8.93 5.29 0.00 2.89 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 81 S 8.77 4.44 0.00 3.75 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 *83 Q 8.63 4.12 0.00 2.09 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.37 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 84 D 8.06 4.52 0.00 2.63 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 85 G 8.50 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 0.00 0.00 0.00 86 P 0.00 4.24 0.00 2.20 2.13 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 87 E 8.19 4.24 0.00 1.95 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 2.32 2.37 0.00 88 A 7.96 4.43 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 89 G 7.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.94 4.01 0.00 2.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 91 T 8.74 4.27 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 1.28 0.00 0.00 92 V 7.54 3.92 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 0.62 0.00 0.00 -0.02 0.00 0.00 93 K 8.26 4.35 0.00 1.71 1.80 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.40 7.81 94 H 7.34 4.93 0.00 2.85 2.72 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.49 3.98 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 0.95 0.00 0.00 1.09 0.00 0.00 96 H 8.50 4.99 0.00 3.19 3.34 0.00 5.56 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 97 V 8.63 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 1.11 0.00 0.00 0.50 0.00 0.00 98 H 9.27 5.10 0.00 3.11 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.76 4.59 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 0.74 0.00 0.00 1.06 0.00 0.00 100 L 8.37 4.79 0.00 1.46 1.37 0.76 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.63 0.00 1.88 1.97 0.00 3.53 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 102 R 8.98 4.90 0.00 1.62 1.75 0.00 3.14 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 103 K 8.87 5.00 0.00 1.67 1.65 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.35 7.81 104 A 8.62 3.92 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 0.00 105 G 8.76 3.87 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 0.00 0.00 0.00 106 D 7.51 4.47 0.00 2.73 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 *127 A 8.35 4.42 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 0.00 128 S 7.82 4.55 0.00 4.03 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 0.00 129 W 8.41 4.61 0.00 3.37 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 0.00 130 R 6.63 4.19 0.00 1.59 1.60 0.00 3.11 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.33 0.00 131 S 7.84 4.01 0.00 3.90 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 0.00 132 E 8.79 3.98 0.00 1.98 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 0.00 2.31 2.32 0.00 133 E 8.17 4.04 0.00 2.00 1.93 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 2.37 2.30 0.00 134 E 7.98 4.25 0.00 2.00 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 2.25 2.23 0.00 *136 A 8.40 4.75 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 0.00 137 A 8.20 3.99 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 0.00 138 E 8.33 3.87 0.00 2.19 1.96 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 2.38 2.51 0.00 139 A 8.00 4.03 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.03 3.99 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 0.00 141 A 8.08 4.04 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 0.00 142 L 7.81 4.00 0.00 1.47 1.34 0.05 0.69 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 0.00 143 R 8.39 4.36 0.00 1.97 2.13 0.00 3.22 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 144 V 7.58 3.65 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 0.71 0.00 0.00 0.90 0.00 0.00 145 Y 7.78 3.94 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 7.77 4.82 0.00 3.15 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 0.00 147 Q 7.74 4.25 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.